diff --git "a/chem_data_test.csv" "b/chem_data_test.csv"
new file mode 100644--- /dev/null
+++ "b/chem_data_test.csv"
@@ -0,0 +1,6001 @@
+temp,pH,Ea,A_factor,pressure,log_pressure,weight,structure,catalyst,is_reversible,k,k_1,A0,A1,A2,A3,A4,A5,A6,A7,A8,A9,A10,B0,B1,B2,B3,B4,B5,B6,B7,B8,B9,B10,C0,C1,C2,C3,C4,C5,C6,C7,C8,C9,C10,order
+274,1.98,95,1.1908173427684571e+17,0.69,-0.37106368139083207,79.4,Linear,None,0,0.09218084465705674,0.07838042833122234,3.82,3.5484317207782516,3.2961681927265802,3.0617933021290242,2.844060939014848,2.641829394021223,2.4540151370538474,2.2795928172869413,2.117595263163251,1.9671134823940435,1.827296661959113,4.99,4.99,4.99,4.99,4.99,4.99,4.99,4.99,4.99,4.99,4.99,0.87,1.1415682792217483,1.3938318072734197,1.6282066978709757,1.8459390609851523,2.0481706059787768,2.2359848629461525,2.410407182713058,2.5724047368367495,2.7228865176059562,2.8627033380408866,first
+272,3.6,91,1.9907592603427427e+17,4.03,1.3937663759585917,21.7,Branched,Enzyme,0,0.6650095315377916,0.3818106533241643,3.99,0.7625775096473619,0.42201728458046306,0.29167236072853453,0.22263151488010668,0.18018032120133592,0.15122582763011416,0.13045279654157002,0.11453543013359863,0.102119104036663,0.09213958841634523,2.47,2.47,2.47,2.47,2.47,2.47,2.47,2.47,2.47,2.47,2.47,2.24,3.8537112451763194,4.023991357709768,4.089163819635733,4.123684242559946,4.1449098393993316,4.1593870861849425,4.169773601729214,4.1777322849331995,4.1839404479816675,4.188930205791826,second
+273,9.06,98,4.3809930355949574e+17,1.47,0.3852624007906449,154.3,Linear,None,0,0.07762451903093258,0.0473159629420944,4.16,3.909523315280404,3.674128069522885,3.4528911894542333,3.244964242381436,3.049564487448131,2.8659458056172973,2.6933986996646198,2.531250294178488,2.378864335559998,2.2356411920229493,4.15,4.15,4.15,4.15,4.15,4.15,4.15,4.15,4.15,4.15,4.15,1.27,1.5204766847195956,1.7558719304771149,1.9771088105457664,2.1850357576185635,2.380435512551869,2.5640541943827024,2.73660130033538,2.898749705821512,3.0511356644400016,3.1943588079770504,first
+271,12.55,99,8.61449955506414e+16,0.71,-0.342490308946776,103.0,Ring,None,1,0.0071205526900972585,0.005022298269573913,6.8,6.768248987809332,6.736804920590689,6.705664831032379,6.6748257801528945,6.644284857705699,6.614039182365191,6.584085900052239,6.554422183888802,6.5250452341979415,6.495952278503812,3.02,3.02,3.02,3.02,3.02,3.02,3.02,3.02,3.02,3.02,3.02,1.7,1.7317510121906678,1.76319507940931,1.7943351689676201,1.8251742198471048,1.8557151422943001,1.8859608176348075,1.9159140999477609,1.9455778161111974,1.974954765802058,2.004047721496187,first
+272,8.18,93,3.408927378970124e+17,1.01,0.009950330853168092,35.4,Branched,None,0,0.47025645735432864,0.2856129275156366,3.7,0.6568074036660704,0.46822403122479417,0.38305336121298544,0.33224703013045886,0.2973032128508988,0.27173182069970725,0.25152833104450756,0.23529987628005805,0.2219585542530365,0.2106358435621047,2.62,2.62,2.62,2.62,2.62,2.62,2.62,2.62,2.62,2.62,2.62,2.73,3.74439753211131,3.807258656258402,3.8356488795956714,3.852584323289847,3.864232262383034,3.8727560597667643,3.8794905563184976,3.884900041239981,3.8893471485823214,3.8931213854792985,third
+276,2.13,98,1.5693066549671917e+17,3.32,1.199964782928397,143.4,Unknown,Enzyme,1,0.04445858422461577,0.033315091528134645,8.76,6.6581667052916345,6.403135642811047,6.353715466169764,6.343463469038839,6.341270035045508,6.3407681762395445,6.3407150972375055,6.340657275371591,6.340711182592261,6.340680113229203,1.32,0.26908335264581734,0.14156782140552346,0.11685773308488227,0.11173173451941959,0.11063501752275387,0.11038408811977225,0.11035754861875317,0.11032863768579548,0.11035559129613048,0.11034005661460161,4.71,5.760916647354183,5.888432178594476,5.913142266915117,5.91826826548058,5.919364982477246,5.919615911880228,5.919642451381246,5.919671362314204,5.919644408703869,5.919659943385398,third
+274,3.57,95,4.1140261025505555e+17,4.17,1.4279160358107101,146.4,Linear,Base,1,0.3184656348660752,0.21903795551423644,1.35,1.0320574373570326,0.9401458976902007,0.9108131001697006,0.9007952651952059,0.897680278173603,0.8964802455159216,0.8961984569277718,0.8958723529084641,0.8961238876052894,0.8960238702180258,3.34,3.34,3.34,3.34,3.34,3.34,3.34,3.34,3.34,3.34,3.34,0.94,1.0989712813214838,1.1449270511548997,1.1595934499151497,1.164602367402397,1.1661598609131985,1.1667598772420391,1.1669007715361142,1.167063823545768,1.1669380561973555,1.1669880648909874,second
+274,9.18,94,4.991062627391521e+17,0.65,-0.4307829160924542,190.3,Ring,Enzyme,1,0.5992841744220133,0.38987640545723534,3.53,2.3386861260696534,2.206857992319755,2.1882196869448616,2.1854745028794227,2.1848147657695915,2.1845134293854005,2.185004781050624,2.1843417854177756,2.185423422200178,2.1850702183864494,2.52,1.3286861260696539,1.1968579923197553,1.178219686944862,1.1754745028794227,1.174814765769592,1.1745134293854007,1.1750047810506241,1.1743417854177756,1.1754234222001783,1.1750702183864494,2.6,3.7913138739303465,3.923142007680245,3.9417803130551383,3.944525497120577,3.9451852342304083,3.9454865706145994,3.944995218949376,3.9456582145822243,3.944576577799822,3.9449297816135505,second
+274,10.23,98,2.8599545748804144e+17,0.97,-0.030459207484708574,191.3,Ring,Base,0,0.05932283463564336,0.04958413484251778,9.46,9.02153154442968,8.603385964237921,8.204611908228063,7.824315712422828,7.4616512801706385,7.115805451303934,6.785998002139169,6.471481645476818,6.1715420306013655,5.88549774328132,0.34,0.34,0.34,0.34,0.34,0.34,0.34,0.34,0.34,0.34,0.34,1.84,2.2784684555703207,2.6966140357620803,3.0953880917719374,3.4756842875771725,3.8383487198293618,4.184194548696067,4.514001997860831,4.828518354523183,5.128457969398634,5.414502256718681,first
+280,7.42,91,5.324767915951e+16,4.29,1.4562867329399256,59.4,Unknown,None,0,0.5616031670004784,0.2901612213088393,3.39,2.1443766198988574,1.8153752333928885,1.6877433099333865,1.6312433276714717,1.6047892719096373,1.5921023616919807,1.5859385038323377,1.5829168242249845,1.5814321578880768,1.5807054993741951,1.81,0.5643766198988576,0.23537523339288863,0.1077433099333866,0.051243327671471835,0.02478927190963723,0.012102361691980796,0.005938503832337805,0.0029168242249845958,0.001432157888076951,0.0007054993741952861,1.76,3.0056233801011425,3.3346247666071114,3.462256690066613,3.518756672328528,3.5452107280903626,3.557897638308019,3.5640614961676618,3.567083175775015,3.5685678421119227,3.5692945006258046,second
+275,3.57,98,4.556621439420595e+16,2.51,0.9202827531436925,76.0,Branched,Enzyme,0,0.011052089412126426,0.007764669729355501,6.52,6.462606403158128,6.405718024875203,6.349330417917777,6.293439174027855,6.238039923394546,6.18312833580053,6.128700118887411,6.074751017535062,6.021276813861618,5.96827332722348,3.08,3.08,3.08,3.08,3.08,3.08,3.08,3.08,3.08,3.08,3.08,4.06,4.06,4.06,4.06,4.06,4.06,4.06,4.06,4.06,4.06,4.06,first
+275,8.06,99,3.3189406647972576e+17,2.89,1.0612565021243408,173.4,Linear,Enzyme,0,0.05198163351960837,0.030472822419455325,3.61,1.754122096487758,1.2154895622004707,0.9433581565060062,0.776146153713892,0.6619650131052371,0.5786181125534381,0.5141526549338162,0.4635135320440935,0.4225125538603155,0.3880942138485715,4.13,3.2020610482438787,2.9327447811002347,2.7966790782530024,2.7130730768569453,2.655982506552618,2.6143090562767184,2.582076327466907,2.556756766022046,2.536256276930157,2.5190471069242846,0.82,1.747938951756121,2.0172552188997646,2.153320921746997,2.236926923143054,2.2940174934473814,2.335690943723281,2.367923672533092,2.3932432339779535,2.4137437230698424,2.4309528930757147,third
+271,7.58,100,7.326354507180536e+16,3.27,1.184789984909162,60.8,Linear,Base,0,0.003885231224671393,0.002786323850299172,1.15,1.1425822002461912,1.1352889459057591,1.1281168169151654,1.121062522175748,1.1141228928648232,1.1072948851238242,1.1005755637794403,1.0939620955765532,1.0874517491782376,1.0810418951657603,0.91,0.9062911001230957,0.9026444729528796,0.8990584084575828,0.8955312610878741,0.8920614464324117,0.8886474425619122,0.8852877818897202,0.8819810477882767,0.8787258745891189,0.8755209475828802,1.66,1.6637088998769043,1.6673555270471203,1.6709415915424173,1.6744687389121258,1.6779385535675881,1.6813525574380876,1.6847122181102798,1.6880189522117233,1.6912741254108812,1.6944790524171198,third
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+278,6.07,95,2.7912058773708106e+17,4.34,1.4678743481123135,100.0,Linear,Enzyme,0,0.3937134698372246,0.29605022113496715,1.33,1.1289130096886622,1.007208378752356,0.9267798227856544,0.8711853422034842,0.8309152352761446,0.8013874427160728,0.7791133047301272,0.7620442657235054,0.7489449598517648,0.7387649041932312,0.63,0.4289130096886622,0.3072083787523561,0.22677982278565448,0.1711853422034842,0.13091523527614465,0.10138744271607282,0.07911330473012713,0.062044265723505326,0.04894495985176478,0.03876490419323115,2.62,2.821086990311338,2.942791621247644,3.0232201772143457,3.078814657796516,3.1190847647238558,3.1486125572839274,3.170886695269873,3.187955734276495,3.201055040148235,3.211235095806769,second
+271,12.56,93,3.77948554423983e+17,2.57,0.9439058989071284,117.6,Branched,Base,1,0.44796553663445077,0.33046183985302896,6.65,1.6247803363157454,1.6265987283010515,1.6239541150522563,1.6246164397384273,1.6256495187623914,1.623728237932557,1.6274011662726737,1.6251611906433125,1.6243937199724687,1.626051250700328,0.38,0.38,0.38,0.38,0.38,0.38,0.38,0.38,0.38,0.38,0.38,4.14,5.8150732212280865,5.814467090566318,5.815348628315916,5.815127853420525,5.814783493745871,5.815423920689148,5.814199611242443,5.814946269785564,5.815202093342511,5.814649583099891,third
+271,10.6,99,2.848001190161378e+17,2.75,1.0116009116784799,37.5,Branched,Enzyme,1,0.023540940952376428,0.01587676977464804,9.7,9.464262677143266,9.274288681973701,9.119685607200207,8.99360842345834,8.890767385507592,8.806379648349655,8.736217963248533,8.677823039474946,8.629362187403949,8.58905390084656,1.54,1.3042626771432653,1.1142886819737021,0.9596856072002082,0.8336084234583404,0.7307673855075926,0.6463796483496549,0.5762179632485341,0.5178230394749479,0.46936218740394986,0.4290539008465605,1.46,1.6957373228567347,1.8857113180262979,2.0403143927997918,2.1663915765416597,2.2692326144924073,2.353620351650345,2.423782036751466,2.4821769605250523,2.5306378125960505,2.57094609915344,second
+279,7.79,96,4.8705346809396314e+17,1.13,0.12221763272424911,173.5,Unknown,None,0,0.5172708860496901,0.2742260043162805,3.47,2.6962143672565455,2.6713513361027497,2.6700710188174037,2.670003541437629,2.670000444632732,2.670000052952312,2.6699983973862036,2.66999940849691,2.670000209318827,2.670001240965686,0.4,0.013107183628273027,0.000675668051375211,3.550940870219379e-05,1.7707188148492773e-06,2.2231636629687843e-07,2.6476156286221633e-08,-8.013068979009474e-07,-2.957515448701315e-07,1.0465941384853026e-07,6.204828434043883e-07,0.26,0.6468928163717271,0.6593243319486249,0.6599644905912979,0.6599982292811851,0.6599997776836337,0.6599999735238438,0.660000801306898,0.660000295751545,0.6599998953405862,0.6599993795171567,third
+279,6.62,95,4.067431120207006e+17,4.99,1.6074359097634274,40.6,Linear,Acid,0,0.6647973753740644,0.5571616840722206,4.06,1.779371005134115,1.6543305255988865,1.6282464740387104,1.622031237068684,1.6205033067145946,1.6201244996402133,1.6200307887263081,1.6200078365271111,1.6200023058954274,1.6200006091827284,1.22,0.07968550256705774,0.017165262799443626,0.004123237019355553,0.0010156185343424035,0.0002516533572976672,6.224982010709823e-05,1.539436315451795e-05,3.918263555909265e-06,1.1529477140817451e-06,3.0459136462865083e-07,1.42,2.560314497432942,2.622834737200556,2.6358767629806437,2.638984381465657,2.6397483466427016,2.639937750179892,2.639984605636845,2.6399960817364434,2.639998847052285,2.6399996954086347,third
+273,3.68,96,3.100010819549042e+17,1.08,0.0769610411361284,122.4,Ring,Base,0,0.13257900197091965,0.06687920053936271,7.92,1.2418523206612013,0.882696450064552,0.7223821387658738,0.6262954438621342,0.5604491804158069,0.5116395448385637,0.4741354451661706,0.44358917993130936,0.41818096984565434,0.3966925166334161,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.3,3.5260492264462657,3.6457678499784825,3.6992059537447086,3.731234852045955,3.753183606528064,3.769453485053812,3.7819548516112764,3.792136940022897,3.8006063433847816,3.8077691611221947,third
+275,4.2,97,3.2989529303421805e+17,2.84,1.0438040521731147,125.0,Branched,Acid,0,0.12391633647969501,0.08958044971521957,9.55,1.2878339865420538,0.9151945955055643,0.7480309537721304,0.6481096314730511,0.5800787861066432,0.5298187099532551,0.49032140357812354,0.4587941327289264,0.43285273648047584,0.41065967609898907,3.87,3.87,3.87,3.87,3.87,3.87,3.87,3.87,3.87,3.87,3.87,4.79,7.544055337819316,7.668268468164812,7.723989682075956,7.757296789508984,7.779973737964453,7.796727096682249,7.80989286547396,7.820401955757025,7.829049087839842,7.8364467746336715,third
+277,9.63,99,2.907641570432516e+17,0.56,-0.579818495252942,196.8,Linear,Acid,1,0.06225418576734802,0.05204575022013574,4.68,3.4037735862536174,2.7983380250766023,2.463920856108706,2.26628591666925,2.1478682337921944,2.071969972394628,2.024708043447623,1.9945939209617127,1.974600233112281,1.9617369428481028,4.19,4.19,4.19,4.19,4.19,4.19,4.19,4.19,4.19,4.19,4.19,3.12,3.7581132068731913,4.060830987461699,4.228039571945647,4.3268570416653755,4.386065883103903,4.424015013802686,4.447645978276189,4.462703039519144,4.47269988344386,4.479131528575949,second
+279,1.27,99,3.272441944216968e+17,0.55,-0.5978370007556204,113.6,Linear,Enzyme,1,0.0953521004790255,0.06235889244830203,6.53,1.8752561219244601,1.4276915929152336,1.289871023245753,1.2389935153654934,1.2187088436020959,1.210336160809044,1.2072085606250886,1.2057173392444147,1.2050783254343362,1.2050933465847382,4.66,2.3326280609622296,2.1088457964576164,2.039935511622876,2.0144967576827466,2.0043544218010476,2.0001680804045217,1.998604280312544,1.9978586696222072,1.997539162717168,1.997546673292369,1.77,4.09737193903777,4.321154203542383,4.390064488377123,4.4155032423172536,4.425645578198952,4.429831919595478,4.431395719687456,4.432141330377792,4.432460837282831,4.4324533267076305,third
+273,4.62,93,3.144549290848415e+17,1.49,0.3987761199573678,194.9,Linear,Base,0,0.50431014759772,0.4388053763443542,5.72,5.316551881921824,4.913103763843647,4.509655645765472,4.106207527687296,3.7027594096091203,3.2993112915309437,2.895863173452767,2.492415055374591,2.0889669372964144,1.6855188192182373,0.77,0.77,0.77,0.77,0.77,0.77,0.77,0.77,0.77,0.77,0.77,3.31,3.7134481180781758,4.116896236156352,4.520344354234528,4.923792472312703,5.327240590390879,5.730688708469056,6.134136826547232,6.537584944625408,6.941033062703585,7.344481180781762,zero
+273,11.22,90,6.049813831252232e+16,3.87,1.3532545070416904,159.7,Unknown,Enzyme,0,0.3638388541691803,0.18436186275302296,1.27,0.9492603867602848,0.7095357722627186,0.5298597260256146,0.39607695736083265,0.2966060427545084,0.22166379687774582,0.1655957838685778,0.12392502841529368,0.09269992641062048,0.06929015000012881,3.2,3.2,3.2,3.2,3.2,3.2,3.2,3.2,3.2,3.2,3.2,3.62,3.9407396132397157,4.180464227737282,4.360140273974386,4.493923042639167,4.593393957245492,4.668336203122255,4.724404216131423,4.766074971584707,4.79730007358938,4.820709849999871,first
+275,12.8,94,1.3703396840576133e+17,3.93,1.3686394258811698,102.0,Branched,Acid,1,0.1911761441803068,0.13642130613315973,6.01,1.7327168141775218,1.5221366692200822,1.486376616331694,1.4797311602922414,1.4787370822094135,1.478209653304358,1.4781148590267499,1.47769675771219,1.479246630444383,1.478426116677039,3.61,1.4713584070887613,1.3660683346100415,1.3481883081658474,1.3448655801461211,1.344368541104707,1.3441048266521793,1.3440574295133751,1.3438483788560953,1.3446233152221918,1.34421305833852,1.85,3.9886415929112387,4.093931665389959,4.111811691834153,4.115134419853879,4.115631458895294,4.1158951733478215,4.1159425704866255,4.116151621143905,4.115376684777808,4.115786941661481,third
+277,4.62,93,1.4743675872760864e+17,1.41,0.34358970439007686,190.2,Branched,Enzyme,0,0.4272780397305365,0.3361861230063443,4.85,3.4456642344565376,2.4480608386814438,1.7373971953902596,1.235535132156012,0.8790265707176512,0.6239678651843685,0.4437930213543404,0.3155550835692871,0.2241503296289407,0.159348889741022,1.94,1.94,1.94,1.94,1.94,1.94,1.94,1.94,1.94,1.94,1.94,0.5,0.5,0.5,0.5,0.5,0.5,0.5,0.5,0.5,0.5,0.5,first
+272,1.74,95,2.064583403311971e+17,0.53,-0.6348782724359695,22.1,Branched,None,0,0.11761354574587346,0.09249887200381443,6.23,5.67054572825996,5.161331838021577,4.697767235905306,4.275638592162375,3.891445712205999,3.5419144394418343,3.2239638238367565,2.9347061219188526,2.671446796777427,2.4316845180629962,1.31,1.31,1.31,1.31,1.31,1.31,1.31,1.31,1.31,1.31,1.31,3.82,3.82,3.82,3.82,3.82,3.82,3.82,3.82,3.82,3.82,3.82,first
+280,4.5,91,2.133744347716965e+16,0.83,-0.18632957819149348,119.2,Ring,None,0,0.22504597424002448,0.20095213438613452,9.76,8.151937472366448,6.808082159020037,5.68562361302253,4.749371117298912,3.9679417087731323,3.3140678073211802,2.767358762020504,2.3113697724371924,1.9312114662903557,1.6135369368804198,1.03,1.03,1.03,1.03,1.03,1.03,1.03,1.03,1.03,1.03,1.03,0.46,2.0680625276335514,3.4119178409799624,4.534376386977469,5.470628882701088,6.2520582912268665,6.9059321926788195,7.452641237979496,7.908630227562807,8.288788533709644,8.60646306311958,first
+278,12.16,99,1.2456366321084442e+17,3.68,1.3029127521808397,143.0,Linear,Acid,0,0.03112971001656922,0.022315294229204925,3.9,2.1623230761412704,1.6607235156783053,1.397666962296452,1.2310141921874305,1.1112315976332583,1.0216756634778115,0.9509112200208739,0.8925038071558022,0.8437356943702333,0.8021696151785582,4.45,4.45,4.45,4.45,4.45,4.45,4.45,4.45,4.45,4.45,4.45,2.39,2.969225641286243,3.1364254947738983,3.2241110125678496,3.279661935937523,3.3195894674555806,3.349441445507396,3.3730295933263754,3.392498730948066,3.4087547685432558,3.422610128273814,third
+271,5.91,90,3.438776681016812e+17,2.12,0.7514160886839212,196.4,Ring,Acid,1,1.5434054159565462,0.8747784658977916,3.24,1.2891287073210267,1.2902189384592944,1.2904446127113134,1.2906369117126866,1.2906602185048306,1.291371708417528,1.291209859421888,1.2905806479078046,1.290941265917898,1.2903640380280659,2.63,1.6545643536605132,1.655109469229647,1.6552223063556564,1.655318455856343,1.655330109252415,1.6556858542087636,1.6556049297109432,1.6552903239539019,1.6554706329589486,1.6551820190140323,3.88,4.855435646339486,4.854890530770351,4.854777693644342,4.854681544143656,4.854669890747584,4.854314145791235,4.854395070289056,4.854709676046097,4.85452936704105,4.854817980985967,third
+276,13.23,95,2.891646842516841e+17,2.98,1.091923300517313,160.8,Linear,None,0,0.30281779708012,0.1677746961778165,7.77,5.630550585080228,5.62999998555882,5.629999724380174,5.6300029287758155,5.629999338435558,5.629997394745229,5.6300017222059475,5.629999244530194,5.629999719643795,5.630000785119782,1.07,0.0002752925401143526,-7.2205900666407975e-09,-1.378099127551081e-07,1.4643879075482872e-06,-3.307822209624203e-07,-1.3026273860720457e-06,8.611029730651064e-07,-3.777349033590707e-07,-1.4017810272743563e-07,3.925598911057937e-07,3.26,4.329724707459886,4.330000007220591,4.330000137809914,4.329998535612094,4.330000330782222,4.330001302627387,4.329999138897028,4.330000377734905,4.330000140178104,4.329999607440111,third
+278,8.34,96,1.5320427151876115e+17,0.91,-0.09431067947124129,162.4,Unknown,None,1,0.14020325670283734,0.09322736758899684,7.86,1.5919350213965038,1.4919619796350283,1.4820753685769466,1.4810718691639404,1.4814798197473136,1.4803824209141176,1.4814565679718377,1.4824150796010198,1.4804020541490823,1.4817805051492983,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,2.76,4.8493549928678314,4.8826793401216575,4.885974877141018,4.886309376945353,4.886173393417562,4.886539193028627,4.886181144009387,4.885861640132993,4.886532648616972,4.886073164950234,third
+274,13.99,98,4.2744659762004256e+17,1.65,0.5007752879124892,101.9,Branched,None,0,0.0886634495837839,0.07892759505042156,5.91,5.505320741517825,5.128351713434645,4.777184878926451,4.450023565666416,4.145267511559354,3.8614105199447204,3.5970270547091525,3.3507722402864624,3.121381861657645,2.9076723643508737,1.51,1.51,1.51,1.51,1.51,1.51,1.51,1.51,1.51,1.51,1.51,0.17,0.17,0.17,0.17,0.17,0.17,0.17,0.17,0.17,0.17,0.17,first
+271,12.23,100,8.51332589642578e+16,4.62,1.5303947050936475,61.9,Linear,Base,1,0.0045146927528799076,0.003284802198656044,3.28,3.2053636500905607,3.1342923860333096,3.0665440032216496,3.0019008686681623,2.940166837767363,2.8811588869271367,2.8247070675145656,2.770654505855929,2.7188574032367043,2.669185035901566,2.17,2.17,2.17,2.17,2.17,2.17,2.17,2.17,2.17,2.17,2.17,0.23,0.2673181749547195,0.3028538069833452,0.33672799838917516,0.36904956566591884,0.39991658111631834,0.4294205565364314,0.457646466242717,0.48467274707203534,0.5105712983816477,0.535407482049217,second
+275,9.46,92,3.8490999857450976e+17,3.56,1.269760544863939,72.3,Unknown,None,0,1.2878541073433203,1.1296677404126074,1.35,0.48226240358958916,0.17238267533875298,0.06159762986797976,0.022007210864073246,0.00786203353982965,0.002808667661924545,0.0010034625609984422,0.0003586286814990639,0.00012834659729581122,4.596379474256217e-05,4.16,4.16,4.16,4.16,4.16,4.16,4.16,4.16,4.16,4.16,4.16,1.79,1.79,1.79,1.79,1.79,1.79,1.79,1.79,1.79,1.79,1.79,first
+271,7.71,96,2.3963826657570982e+17,4.22,1.4398351280479205,130.1,Linear,Base,0,0.07500737255652064,0.058913402976299635,1.58,1.1479427720143514,0.9456782922935179,0.8223276373125618,0.7381226187628503,0.6748117795051738,0.6255295330542611,0.586020861430675,0.552989688615521,0.524851791905063,0.5006143024398556,2.84,2.84,2.84,2.84,2.84,2.84,2.84,2.84,2.84,2.84,2.84,0.12,0.26401907599521623,0.33144056923549403,0.3725574542291461,0.4006257937457165,0.4217294068316087,0.4381568223152463,0.45132637952310833,0.46233677046149296,0.47171606936497895,0.4797952325200481,third
+279,1.5,95,3.433940311190277e+17,3.05,1.1151415906193203,182.4,Linear,Base,1,0.5612570781418199,0.39803230216641283,3.02,2.1022034836869166,1.6763221332491565,1.4782917300675849,1.386469740126451,1.3442351141033304,1.3240384896607928,1.3152462061922334,1.310607998568285,1.3088725741826237,1.30796827740741,3.87,3.87,3.87,3.87,3.87,3.87,3.87,3.87,3.87,3.87,3.87,0.13,1.0477965163130831,1.4736778667508434,1.671708269932415,1.763530259873549,1.8057648858966695,1.825961510339207,1.8347537938077665,1.8393920014317149,1.8411274258173762,1.84203172259259,first
+274,13.41,95,9.047192310791405e+16,3.71,1.3110318766193438,166.7,Unknown,Enzyme,0,0.07003406811700588,0.06024099771813094,8.92,7.712800608656813,7.022844633293433,6.592347879446777,6.310047739852971,6.119314421458631,5.987659497823858,5.894783693081013,5.829330981029133,5.782374154559099,5.748602005224969,3.26,2.0528006086568125,1.3628446332934328,0.9323478794467773,0.6500477398529707,0.45931442145863016,0.3276594978238579,0.23478369308101255,0.1693309810291325,0.12237415455909857,0.0886020052249685,4.41,5.6171993913431875,6.307155366706567,6.737652120553223,7.019952260147029,7.210685578541369,7.342340502176142,7.435216306918987,7.500669018970867,7.547625845440901,7.581397994775031,second
+276,3.63,97,1.1844492611230237e+17,3.48,1.247032293786383,47.9,Branched,Base,0,0.05188323544009464,0.03740759495379871,3.98,3.351767967236764,2.8863999898675163,2.5281520282094303,2.245750305950022,2.0155655604294602,1.823569259952044,1.6623559124140148,1.525381217272645,1.40719008497001,1.3035974353544741,4.47,3.841767967236764,3.376399989867516,3.01815202820943,2.735750305950022,2.50556556042946,2.3135692599520437,2.1523559124140146,2.015381217272645,1.8971900849700098,1.793597435354474,0.93,1.558232032763236,2.023600010132484,2.38184797179057,2.6642496940499782,2.89443443957054,3.0864307400479563,3.2476440875859853,3.384618782727355,3.50280991502999,3.6064025646455256,second
+274,3.01,96,4.219149465773699e+17,2.57,0.9439058989071284,31.7,Linear,Base,0,0.21056015203526274,0.12636248418602483,5.68,5.5881873381914655,5.55281035950727,5.538970852294305,5.533533346893471,5.5313924385629045,5.530548825009835,5.530216352531386,5.530085462393987,5.530033979577255,5.530013397213805,0.15,0.05818733819146575,0.02281035950727101,0.008970852294305534,0.003533346893470809,0.001392438562904834,0.0005488250098357795,0.00021635253138563542,8.546239398727355e-05,3.397957725538601e-05,1.3397213805747555e-05,0.88,0.9718126618085342,1.007189640492729,1.0210291477056943,1.0264666531065292,1.028607561437095,1.029451174990164,1.0297836474686144,1.0299145376060126,1.0299660204227445,1.0299866027861944,second
+276,11.77,99,4.972896762112674e+17,1.08,0.0769610411361284,154.3,Linear,Base,0,0.09111596476599654,0.06544296504445689,9.71,5.6401018843689465,5.470618723250786,5.452354286851691,5.450270582334221,5.45003156776859,5.450003824444804,5.450000682101816,5.4500003744553664,5.449999077152411,5.450001142696218,2.13,0.09505094218447241,0.01030936162539237,0.0011771434258446814,0.00013529116710914207,1.5783884294181914e-05,1.9122224006837293e-06,3.4105090749741905e-07,1.8722768261407768e-07,-4.614237950827971e-07,5.713481082788135e-07,4.65,6.684949057815528,6.769690638374608,6.7788228565741555,6.779864708832891,6.779984216115706,6.7799980877776,6.779999658949094,6.779999812772318,6.780000461423796,6.779999428651893,third
+274,7.3,93,1.2199081302815365e+17,3.13,1.1410330045520618,177.2,Linear,None,1,0.22720148893651215,0.19869351296851448,1.74,2.0362545293375036,2.1698385219675433,2.2275721791550014,2.252341277528745,2.2620316822546482,2.2666637289531546,2.268001493646544,2.269084386652652,2.2693295283749206,2.269171005069641,1.17,1.4662545293375036,1.5998385219675435,1.6575721791550015,1.682341277528745,1.6920316822546486,1.6966637289531552,1.6980014936465444,1.6990843866526526,1.6993295283749212,1.699171005069642,4.94,4.6437454706624965,4.510161478032457,4.452427820844999,4.427658722471255,4.417968317745352,4.413336271046846,4.411998506353457,4.410915613347348,4.41067047162508,4.410828994930359,second
+279,13.23,91,2.6085037981713213e+17,2.26,0.8153648132841944,90.6,Linear,Base,1,2.3915052449067074,1.6761159780846773,1.72,1.5174512805651332,1.5165550251515927,1.5173406310300688,1.5171495337175838,1.51661126603529,1.516610757143207,1.5179231484342979,1.5170135367075603,1.5165010844591629,1.517431123094118,0.99,0.7874512805651334,0.7865550251515927,0.7873406310300686,0.7871495337175839,0.78661126603529,0.7866107571432073,0.7879231484342978,0.7870135367075602,0.7865010844591629,0.787431123094118,1.5,1.7025487194348667,1.7034449748484073,1.7026593689699312,1.7028504662824162,1.70338873396471,1.703389242856793,1.702076851565702,1.7029864632924396,1.703498915540837,1.702568876905882,second
+274,14.0,90,5.480566756772964e+16,3.67,1.3001916620664788,64.1,Linear,Base,1,0.38092746990482085,0.2782950159598022,5.42,1.0748196827917402,1.0455071272496201,1.0441098188894216,1.0434244735201141,1.0441958751479814,1.0444076236995496,1.0446167277684955,1.0450851444072649,1.0454761278271685,1.0453914309885066,1.83,1.83,1.83,1.83,1.83,1.83,1.83,1.83,1.83,1.83,1.83,0.1,1.54839343906942,1.5581642909167934,1.558630060370193,1.5588585088266287,1.5586013749506729,1.55853079210015,1.558461090743835,1.5583049518642453,1.5581746240576109,1.5582028563371646,third
+270,2.31,90,1.0050517858544821e+17,4.34,1.4678743481123135,163.6,Linear,Enzyme,0,0.3890567156704778,0.28538192228657544,9.99,9.789998527212955,9.789998995709272,9.789998208782691,9.789998603681662,9.789999119028934,9.789997462409387,9.789999129326892,9.78999938518236,9.789999578334145,9.790000232099079,0.1,-7.363935221980979e-07,-5.021453619895138e-07,-8.956086520753592e-07,-6.981591675867848e-07,-4.4048553219015306e-07,-1.2687953046685838e-06,-4.3533655196215247e-07,-3.074088203240654e-07,-2.1083292905111068e-07,1.16049537649953e-07,4.69,4.790000736393523,4.790000502145364,4.790000895608655,4.79000069815917,4.790000440485533,4.790001268795307,4.790000435336554,4.79000030740882,4.790000210832928,4.789999883950461,third
+270,7.16,94,4.5489074996612883e+17,0.68,-0.3856624808119846,94.8,Branched,Acid,0,0.2963856103645564,0.26319759882810567,6.54,0.8341099799369069,0.5919487057596824,0.4840690108470622,0.419128621013907,0.37532786673955987,0.3425102509139903,0.3171042295928788,0.29684008126662,0.27991646513177393,0.26550932540925,0.76,0.76,0.76,0.76,0.76,0.76,0.76,0.76,0.76,0.76,0.76,4.02,5.92196334002103,6.002683764746771,6.038643663050978,6.0602904596620295,6.074890711086812,6.085829916362002,6.094298590135706,6.1010533062444585,6.106694511622741,6.1114968915302486,third
+280,3.14,100,1.414538741619811e+17,1.77,0.5709795465857378,64.4,Branched,Enzyme,0,0.031240106089426,0.01640049472452412,8.11,4.4105035699352255,3.495997050791494,3.0364698338653437,2.751304823492807,2.5516975656276375,2.4043968435657725,2.2901925170758917,2.1979888558798564,2.1223958033141166,2.059118921765663,3.3,1.4502517849676126,0.9929985253957472,0.7632349169326721,0.6206524117464036,0.5208487828138189,0.4471984217828864,0.39009625853794594,0.34399442793992824,0.3061979016570584,0.27455946088283156,0.82,2.669748215032387,3.1270014746042523,3.3567650830673275,3.499347588253596,3.5991512171861806,3.672801578217113,3.7299037414620537,3.7760055720600714,3.813802098342941,3.8454405391171678,third
+272,12.36,94,9.948610618308416e+16,1.29,0.25464221837358075,45.3,Ring,None,0,0.08819285420157454,0.07870558260488494,2.45,2.283098947267068,2.127567809334191,1.9826264308475983,1.8475425350825296,1.7216633217062847,1.6043727993110704,1.4950878198543274,1.3932580786587305,1.2983661144121887,1.209927309167845,4.6,4.6,4.6,4.6,4.6,4.6,4.6,4.6,4.6,4.6,4.6,4.07,4.236901052732932,4.39243219066581,4.537373569152402,4.672457464917471,4.798336678293715,4.91562720068893,5.024912180145673,5.12674192134127,5.221633885587812,5.310072690832155,first
+271,7.53,93,2.368196004808398e+17,0.67,-0.40047756659712525,23.5,Branched,Acid,0,0.28069169248878023,0.23637825789718522,9.84,7.8608621306046915,6.2798801618360445,5.013678285278077,4.00261500671342,3.1993848444456945,2.5601557284602565,2.0460244970047428,1.6341805459719965,1.3057262621755477,1.0434399655331899,0.75,0.75,0.75,0.75,0.75,0.75,0.75,0.75,0.75,0.75,0.75,2.67,2.67,2.67,2.67,2.67,2.67,2.67,2.67,2.67,2.67,2.67,first
+274,11.49,94,1.6847848799099165e+17,1.32,0.27763173659827955,76.4,Linear,Acid,0,0.20229457957396665,0.11618283511837109,3.38,1.9773117836242398,1.3465861012463727,0.9899121768693062,0.7622226164833599,0.6051093867391726,0.49118659306960766,0.404590400033069,0.3377829405172178,0.28483513922975845,0.24178479745488876,4.13,2.7273117836242395,2.096586101246373,1.7399121768693064,1.51222261648336,1.3551093867391728,1.2411865930696078,1.1545904000330693,1.0877829405172181,1.0348351392297586,0.9917847974548891,0.56,1.9626882163757604,2.5934138987536275,2.950087823130694,3.17777738351664,3.334890613260827,3.4488134069303924,3.5354095999669313,3.6022170594827823,3.655164860770242,3.698215202545111,second
+278,4.21,97,1.5806031718591085e+17,1.13,0.12221763272424911,149.9,Unknown,Base,0,0.09384451669734695,0.05144723044348949,6.04,4.9439491734682655,4.309785170797763,3.9022682956566044,3.625002108915756,3.4263169565772778,3.2805453427502087,3.1713486519367398,3.0873105621538968,3.0223442205589124,2.971588400523045,3.27,2.173949173468265,1.5397851707977628,1.1322682956566044,0.8550021089157555,0.6563169565772773,0.5105453427502084,0.4013486519367392,0.3173105621538963,0.25234422055891204,0.2015884005230446,0.06,1.1560508265317349,1.790214829202237,2.1977317043433953,2.4749978910842443,2.673683043422723,2.819454657249792,2.9286513480632608,3.0126894378461038,3.077655779441088,3.1284115994769555,second
+274,8.2,96,4.254547673721018e+17,0.9,-0.10536051565782628,102.1,Ring,None,1,0.21232672895026108,0.16013509218783784,4.22,1.5395264618527407,1.5158744586339739,1.5146228451124093,1.513824180274526,1.5141940105494691,1.5141850496632323,1.5143472309645531,1.5147810140497822,1.5155697262985681,1.5157132504023079,0.23,0.23,0.23,0.23,0.23,0.23,0.23,0.23,0.23,0.23,0.23,3.71,4.60349117938242,4.611375180455342,4.611792384962531,4.612058606575158,4.611935329816843,4.611938316778922,4.6118842563451485,4.611739661983406,4.611476757900477,4.611428916532564,third
+270,11.62,96,2.1852606311968397e+17,1.07,0.06765864847381486,74.2,Unknown,Base,1,0.05841387498077165,0.0367061939609826,8.9,8.786081916599194,8.714573531171261,8.668995141500295,8.640358367867957,8.621893241992487,8.610055247753744,8.602627410390145,8.597723057816657,8.59461469856158,8.592660525697251,0.6,0.48608191659919375,0.4145735311712621,0.36899514150029467,0.34035836786795776,0.3218932419924871,0.31005524775374277,0.30262741039014507,0.2977230578166564,0.2946146985615801,0.29266052569725176,3.64,3.7539180834008063,3.8254264688287383,3.8710048584997057,3.8996416321320426,3.918106758007513,3.9299447522462576,3.937372589609855,3.942276942183344,3.94538530143842,3.9473394743027486,second
+279,7.35,95,2.7161530018397642e+17,4.86,1.5810384379124025,67.5,Ring,Acid,0,0.443939020323364,0.3347471275472363,4.75,3.329913745745448,2.334495826459035,1.6348455275861244,1.1475299128256868,0.8052965099268334,0.5641256433362172,0.39610297958158747,0.277702439448362,0.1946552651191276,0.13665120194536573,0.72,0.72,0.72,0.72,0.72,0.72,0.72,0.72,0.72,0.72,0.72,4.41,4.41,4.41,4.41,4.41,4.41,4.41,4.41,4.41,4.41,4.41,first
+274,1.5,92,3.673341795394905e+17,1.12,0.11332868530700327,135.4,Branched,Acid,1,1.061181439062407,0.6883246095088095,1.66,0.7123155282405681,0.7124242842199858,0.7117058911896975,0.712707106630049,0.7121102237742328,0.7116016321764524,0.7128732748836191,0.7119508685340206,0.711957543134167,0.7126196700263533,4.7,4.226157764120284,4.226212142109993,4.225852945594849,4.2263535533150245,4.226055111887117,4.225800816088226,4.22643663744181,4.225975434267011,4.225978771567084,4.226309835013177,2.83,3.3038422358797157,3.3037878578900073,3.3041470544051514,3.3036464466849758,3.3039448881128837,3.3041991839117735,3.3035633625581906,3.30402456573299,3.3040212284329167,3.3036901649868238,third
+280,12.1,92,3.6141683637581165e+17,0.81,-0.21072103131565253,122.7,Branched,Base,1,2.480722703434645,1.5559120098775894,9.38,1.6201439656668863,1.620193599919091,1.6189626592223494,1.6217264975534742,1.618805250530913,1.621220153428384,1.619544267677816,1.61973294288733,1.6210397121501687,1.620221159418322,3.38,3.38,3.38,3.38,3.38,3.38,3.38,3.38,3.38,3.38,3.38,4.19,6.776618678111038,6.776602133360303,6.777012446925883,6.776091167482172,6.7770649164896914,6.776259948857199,6.776818577440721,6.776755685704215,6.776320095949937,6.776592946860552,third
+273,13.18,90,8.874129435860704e+16,4.76,1.5602476682433286,182.4,Unknown,Acid,0,0.5336946186696531,0.31918004826326657,9.42,6.1464077363419936,4.00861512806595,2.6167503351620924,1.7078601795828812,1.1142775537791918,0.7279581756706139,0.4746167311150997,0.3102841130813604,0.20237238857410178,0.13215089097834554,3.4,3.4,3.4,3.4,3.4,3.4,3.4,3.4,3.4,3.4,3.4,2.9,6.173592263658006,8.311384871934049,9.703249664837907,10.612139820417118,11.205722446220808,11.592041824329385,11.8453832688849,12.009715886918638,12.117627611425897,12.187849109021654,first
+276,6.51,90,2.7679702621763354e+17,0.88,-0.12783337150988489,55.2,Unknown,Enzyme,0,2.5616008073695418,2.104012892094759,4.82,3.3510748482573263,3.3500010442675414,3.350000469006783,3.3500004938978662,3.3500009068039978,3.3500007675936305,3.3500009679825054,3.350000435022402,3.3500011218733636,3.350000328115448,1.47,0.0010748482573255615,1.0442675407965268e-06,4.690067820175762e-07,4.938978658742539e-07,9.068039974028078e-07,7.675936300646768e-07,9.679825045575024e-07,4.3502240166604097e-07,1.1218733631886171e-06,3.2811544718806276e-07,4.59,6.058925151742673,6.059998955732459,6.059999530993218,6.059999506102134,6.0599990931960015,6.059999232406369,6.059999032017495,6.059999564977597,6.059998878126636,6.059999671884552,second
+279,7.94,97,3.463345299908256e+17,0.51,-0.6733445532637656,159.6,Ring,Acid,0,0.23900638043025654,0.20758620671108388,2.64,2.1719841924415997,1.9125520453122673,1.750102927780753,1.6422953502772375,1.5678937289815476,1.515070825792502,1.4764548259381431,1.4481546974265747,1.4270397377590789,1.4111123319863728,1.28,0.8119841924415998,0.5525520453122674,0.390102927780753,0.2822953502772375,0.20789372898154748,0.15507082579250214,0.11645482593814316,0.08815469742657475,0.06703973775907911,0.05111233198637284,3.18,3.6480158075584006,3.907447954687733,4.069897072219248,4.177704649722763,4.252106271018453,4.304929174207498,4.343545174061857,4.371845302573425,4.392960262240921,4.4088876680136275,second
+272,2.52,95,9.276455262173989e+16,3.29,1.1908875647772805,37.9,Unknown,None,0,0.05284537275592866,0.03825503275071686,5.35,2.781961442255717,2.0908360571659887,1.7352830954999834,1.508769573343642,1.3500919760974093,1.2298862337711072,1.13465091684427,1.057758195093472,0.9937547282028487,0.9387810824865814,2.89,1.6059807211278587,1.2604180285829947,1.082641547749992,0.9693847866718213,0.8900459880487049,0.8299431168855539,0.7823254584221353,0.7438790975467363,0.7118773641014247,0.684390541243291,3.77,5.054019278872141,5.399581971417005,5.5773584522500075,5.6906152133281775,5.769954011951294,5.830056883114445,5.877674541577863,5.916120902453263,5.948122635898574,5.975609458756708,third
+272,6.89,96,3.7262372303797926e+17,3.36,1.2119409739751128,140.1,Linear,Acid,0,0.13641098923191902,0.08362905747530916,3.7,3.3174744038341846,2.974497889026336,2.6668538159249624,2.3907633987974384,2.1432617727749603,1.921569893546248,1.7230664578482495,1.5452879034661395,1.38592840923332,1.2428398950314206,0.02,0.02,0.02,0.02,0.02,0.02,0.02,0.02,0.02,0.02,0.02,2.91,2.91,2.91,2.91,2.91,2.91,2.91,2.91,2.91,2.91,2.91,first
+277,4.48,95,3.945358557924046e+17,4.63,1.5325568680981427,22.0,Branched,Enzyme,0,0.479769062708579,0.4174182612433974,9.98,5.080077432741255,5.079999429731845,5.079997939753009,5.079998987532976,5.079998262742138,5.079998781777471,5.0799988321343355,5.0799983734016285,5.079999264948878,5.080000436995838,2.45,3.8716370627420207e-05,-2.851340776135497e-07,-1.0301234953527535e-06,-5.062335121811644e-07,-8.686289316091582e-07,-6.091112649908746e-07,-5.839328330324081e-07,-8.13299186265445e-07,-3.675255614126327e-07,2.1849791879991618e-07,2.58,5.0299612836293734,5.030000285134078,5.030001030123496,5.030000506233513,5.0300008686289335,5.030000609111267,5.030000583932834,5.0300008132991865,5.030000367525562,5.029999781502082,third
+274,5.09,93,6.070625729741048e+16,2.51,0.9202827531436925,182.4,Unknown,Enzyme,1,0.11306221922261928,0.06294511163998526,8.74,3.5973588537168006,2.501726099635724,2.0960257430069076,1.9178754195875383,1.8323935989277118,1.7910855076048833,1.7701238216179702,1.7601474520820561,1.754610557072953,1.7520288995144209,0.18,0.18,0.18,0.18,0.18,0.18,0.18,0.18,0.18,0.18,0.18,2.0,4.5713205731416,5.119136950182138,5.321987128496546,5.411062290206231,5.453803200536144,5.4744572461975585,5.484938089191015,5.4899262739589725,5.492694721463524,5.4939855502427895,second
+276,11.0,91,6.339518590580798e+16,2.52,0.9242589015233319,199.1,Branched,Base,1,0.3794403688591113,0.2694158945764166,4.5,2.3687275649922963,1.9583967939216647,1.8441776992095704,1.8092012693483246,1.7983637519208366,1.7951726818751808,1.7937478358219954,1.7937151035185885,1.7934681599544544,1.793409644925434,4.0,1.8687275649922968,1.458396793921665,1.3441776992095709,1.309201269348325,1.298363751920837,1.2951726818751812,1.2937478358219958,1.293715103518589,1.2934681599544549,1.2934096449254344,0.56,2.6912724350077033,3.1016032060783347,3.215822300790429,3.250798730651675,3.2616362480791627,3.2648273181248184,3.2662521641780042,3.2662848964814106,3.2665318400455448,3.2665903550745656,second
+272,3.98,90,3.849182034472886e+17,1.53,0.4252677354043441,23.2,Linear,Enzyme,1,2.000891913977258,1.008309851766148,7.73,3.9168655031254707,3.916535560221117,3.9160134793443864,3.916967889960303,3.9157810002415436,3.9176742382726615,3.9160134911000064,3.9172570403981073,3.9165051505011266,3.9168696405895385,4.72,0.9068655031254711,0.9065355602211177,0.906013479344387,0.9069678899603032,0.9057810002415442,0.9076742382726625,0.9060134911000081,0.9072570403981085,0.9065051505011275,0.9068696405895392,3.23,7.04313449687453,7.043464439778884,7.043986520655615,7.043032110039698,7.044218999758456,7.042325761727338,7.043986508899993,7.042742959601893,7.043494849498874,7.043130359410462,second
+272,6.47,96,4.049577672834674e+17,4.78,1.5644405465033646,25.9,Ring,None,1,0.14824791395972578,0.08876063824170144,6.05,4.8659083264844885,4.378632407541857,4.150596477914118,4.0383707662297175,3.9808115542356366,3.951103447943423,3.9355950090345733,3.927638940166405,3.923251151648324,3.9211100170702853,3.05,1.865908326484489,1.3786324075418575,1.1505964779141187,1.038370766229718,0.980811554235637,0.9511034479434236,0.9355950090345737,0.9276389401664054,0.9232511516483245,0.9211100170702855,3.88,5.064091673515511,5.551367592458143,5.7794035220858815,5.891629233770282,5.949188445764364,5.978896552056576,5.994404990965426,6.002361059833595,6.006748848351676,6.008889982929714,second
+275,8.75,94,2.7444378058251856e+17,0.65,-0.4307829160924542,108.7,Unknown,Base,0,0.3828766281559877,0.27395707149005416,8.64,6.360309800382577,4.682264766558977,3.4434564455158796,2.535579050138186,1.870346303932675,1.3761419599832514,1.0128224590001689,0.7467852673876276,0.5498998354312844,0.4048308703432526,1.87,1.87,1.87,1.87,1.87,1.87,1.87,1.87,1.87,1.87,1.87,0.21,0.21,0.21,0.21,0.21,0.21,0.21,0.21,0.21,0.21,0.21,first
+280,9.06,100,4.432766198984706e+17,3.44,1.235471471385307,35.7,Branched,Base,1,0.0978976978511936,0.08449870407152572,5.68,5.325838482290114,5.019733846839698,4.754753505093281,4.525721706473646,4.328162496066895,4.157882085676101,4.010968853821298,3.8837933457394875,3.773507421230922,3.678192920436447,2.85,2.85,2.85,2.85,2.85,2.85,2.85,2.85,2.85,2.85,2.85,0.95,1.3041615177098864,1.6102661531603013,1.875246494906719,2.1042782935263546,2.301837503933105,2.472117914323899,2.6190311461787026,2.7462066542605124,2.856492578769078,2.9518070795635527,first
+270,7.12,97,4.304078084467182e+16,2.06,0.7227059828014898,152.5,Ring,None,1,0.0073692671338767,0.00622472817715931,7.95,4.452168476451558,3.452136089603733,2.9370455568477714,2.6181621433004727,2.396546103120077,2.2365978272795886,2.1130207392070863,2.0158108666926067,1.9383859579436893,1.8752197562699662,1.9,1.9,1.9,1.9,1.9,1.9,1.9,1.9,1.9,1.9,1.9,1.93,3.095943841182814,3.429287970132089,3.6009848143840766,3.7072792855665093,3.7811512989599745,3.8344673909068043,3.875659753597638,3.908063044435798,3.9338713473521034,3.954926747910011,third
+277,13.29,91,2.7200225364692387e+17,3.31,1.1969481893889715,27.9,Branched,Base,0,1.8786087323760365,1.0331263255884826,9.95,9.770000113771221,9.770001080033406,9.76999975187987,9.770000611330794,9.769999558431497,9.770000274177498,9.770000000546908,9.769999142692303,9.770001579054847,9.770000137080427,0.18,1.1377122062298572e-07,1.0800334043061472e-06,-2.4812013160695996e-07,6.113307923114915e-07,-4.4156850322114646e-07,2.7417749964748857e-07,5.469066418693265e-10,-8.573076956676888e-07,1.5790548496020037e-06,1.3708043059692718e-07,2.09,2.269999886228779,2.2699989199665955,2.270000248120131,2.2699993886692074,2.2700004415685022,2.2699997258225,2.269999999453093,2.2700008573076955,2.26999842094515,2.2699998629195695,second
+276,3.88,94,4.297025795679989e+17,3.83,1.3428648031925547,175.9,Ring,None,1,0.6957718961940075,0.5083177329577189,5.74,1.9585189468329205,1.9520742191308682,1.9518186414430208,1.9524556387606162,1.9527366850486856,1.952371101578185,1.952905152135219,1.9510296783372225,1.9532727323338002,1.9523333161150827,2.51,0.61925947341646,0.6160371095654339,0.6159093207215102,0.6162278193803079,0.6163683425243426,0.6161855507890923,0.6164525760676093,0.615514839168611,0.6166363661668999,0.6161666580575411,1.32,3.2107405265835403,3.213962890434566,3.21409067927849,3.213772180619692,3.213631657475658,3.213814449210908,3.213547423932391,3.2144851608313894,3.2133636338331004,3.2138333419424594,third
+279,11.29,91,2.8251981504697693e+17,3.64,1.2919836816486494,88.3,Unknown,Base,1,2.5901730330949784,2.01583447431367,4.98,3.7758287422254737,3.776422724542469,3.7761013347471963,3.776111513221002,3.7771470856740965,3.7754146434423546,3.7762194888709497,3.7757245192421998,3.7764982572281336,3.776512899666426,2.19,0.9858287422254737,0.9864227245424687,0.9861013347471963,0.9861115132210018,0.9871470856740965,0.9854146434423546,0.9862194888709501,0.9857245192422001,0.9864982572281339,0.9865128996664266,3.58,4.784171257774526,4.783577275457532,4.783898665252804,4.783888486778999,4.782852914325904,4.7845853565576455,4.78378051112905,4.784275480757801,4.7835017427718665,4.7834871003335735,second
+279,7.52,91,4.316430285776914e+16,1.89,0.636576829071551,188.7,Linear,Acid,1,0.39573512121954246,0.27401312213204204,8.9,7.335494963025621,7.245730626800437,7.239553773292756,7.239072125494105,7.2391042102119965,7.239363622088557,7.238894876476509,7.23897631140357,7.239040200859263,7.239513812079832,2.21,0.645494963025619,0.5557306268004363,0.5495537732927551,0.5490721254941042,0.549104210211996,0.549363622088556,0.5488948764765086,0.548976311403569,0.5490402008592619,0.5495138120798317,4.08,5.6445050369743806,5.734269373199564,5.740446226707245,5.740927874505896,5.740895789788005,5.740636377911445,5.741105123523492,5.741023688596432,5.740959799140739,5.740486187920169,second
+279,4.71,91,3.100881023304624e+17,3.48,1.247032293786383,188.1,Unknown,Enzyme,0,2.8429221518724557,1.4972540032179635,1.99,0.20514735162722442,0.021126891943350816,0.0021795696484982916,0.00022520837643498823,2.328307326812893e-05,2.503781557777979e-06,2.9729590032589905e-07,2.5626035167699124e-07,-2.962931857780959e-07,3.189647507678197e-07,3.39,3.39,3.39,3.39,3.39,3.39,3.39,3.39,3.39,3.39,3.39,4.05,5.834852648372776,6.018873108056649,6.037820430351502,6.039774791623565,6.039976716926732,6.039997496218443,6.0399997027041,6.039999743739649,6.0400002962931865,6.03999968103525,first
+273,10.31,92,1.953336883378597e+17,2.52,0.9242589015233319,199.2,Ring,Base,1,0.4866974144470913,0.37598980327395276,5.01,1.2911934884559395,1.2890237400497464,1.2900499538274057,1.2903985780932115,1.2915485134172413,1.2906460784440001,1.2912920507892112,1.289766582543531,1.2889473223591823,1.2905808190512895,4.96,3.1005967442279694,3.0995118700248727,3.1000249769137023,3.1001992890466057,3.1007742567086205,3.100323039222,3.1006460253946058,3.0998832912717655,3.0994736611795908,3.1002904095256443,4.82,6.67940325577203,6.680488129975126,6.679975023086296,6.679800710953393,6.679225743291378,6.679676960777999,6.679353974605394,6.680116708728233,6.680526338820408,6.679709590474353,third
+276,2.74,93,4.023179812031118e+17,2.65,0.9745596399981308,53.8,Linear,Enzyme,1,1.007235774882178,0.82904222182039,7.48,5.653878448733585,5.231688481661721,5.134983501984247,5.113275985548563,5.108351968946607,5.106040102652045,5.1071382471744196,5.104359081348411,5.105529486502823,5.109395911685809,3.52,3.52,3.52,3.52,3.52,3.52,3.52,3.52,3.52,3.52,3.52,3.83,5.656121551266415,6.078311518338279,6.175016498015753,6.196724014451437,6.201648031053393,6.203959897347955,6.202861752825581,6.205640918651589,6.204470513497178,6.200604088314192,first
+271,3.34,90,9.081193749946758e+16,2.89,1.0612565021243408,85.0,Ring,Enzyme,0,0.40758574682651927,0.27242340204209037,9.58,8.460002216460179,8.460001795019206,8.460001989754604,8.460002122962333,8.460000372590502,8.459999311077638,8.459999900336472,8.459999686361801,8.459998807834774,8.460000574357826,0.56,1.1082300919070713e-06,8.975096050453969e-07,9.948773032484305e-07,1.06148116788596e-06,1.86295251302877e-07,-3.4446118104732823e-07,-4.983176467040176e-08,-1.5681909934430668e-07,-5.960826135636058e-07,2.8717891252486643e-07,0.11,0.669998891769908,0.6699991024903948,0.6699990051226964,0.6699989385188317,0.6699998137047481,0.6700003444611805,0.6700000498317643,0.670000156819099,0.6700005960826131,0.6699997128210871,third
+278,3.76,90,3.788385177027581e+17,4.29,1.4562867329399256,148.2,Unknown,None,0,4.648880733485969,4.1211520835468285,2.49,0.0007312472511674223,6.685490475114842e-07,-5.755554995594457e-07,-6.746886220214082e-07,-4.0841382523746044e-07,8.519272841387418e-07,8.868225006229218e-07,-1.457096285725527e-07,-6.41099095654401e-07,2.2021173863968356e-07,4.46,1.9707312472511669,1.970000668549047,1.9699994244444998,1.9699993253113774,1.9699995915861743,1.9700008519272838,1.9700008868225003,1.969999854290371,1.969999358900904,1.9700002202117382,0.18,2.6692687527488324,2.669999331450952,2.670000575555499,2.6700006746886213,2.6700004084138245,2.669999148072715,2.669999113177499,2.6700001457096287,2.6700006410990955,2.6699997797882613,second
+279,6.76,95,1.8873051264500614e+17,4.94,1.5973653311998313,185.4,Unknown,Base,1,0.3084687748885991,0.23129421333045164,1.36,1.2268580337427715,1.1939010189419106,1.1852077435575303,1.1827744831377864,1.1824242194296744,1.1819552074598272,1.182247242110773,1.1817899388562318,1.1819524634347338,1.182444638933064,0.77,0.7034290168713857,0.6869505094709553,0.6826038717787651,0.6813872415688932,0.6812121097148371,0.6809776037299136,0.6811236210553865,0.6808949694281159,0.6809762317173669,0.681222319466532,1.18,1.2465709831286143,1.2630494905290448,1.2673961282212347,1.2686127584311067,1.2687878902851626,1.2690223962700862,1.2688763789446134,1.2691050305718838,1.2690237682826329,1.2687776805334676,third
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+278,12.81,97,4.004633815067369e+17,1.4,0.3364722366212129,136.1,Branched,Acid,0,0.2377655135810072,0.18576984746586347,5.01,3.43793801858226,2.838079570479017,2.5406429543214304,2.3728630406267643,2.2721568122089786,2.209091373762824,2.168603760388646,2.142188305482494,2.124832933220485,2.1132801037309434,2.92,1.34793801858226,0.7480795704790169,0.45064295432143026,0.28286304062676404,0.1821568122089787,0.11909137376282403,0.07860376038864576,0.05218830548249401,0.03483293322048516,0.023280103730943438,1.27,2.84206198141774,3.4419204295209833,3.73935704567857,3.907136959373236,4.007843187791021,4.070908626237176,4.111396239611355,4.137811694517507,4.155167066779515,4.166719896269057,second
+278,10.51,97,4.9452997681284275e+17,2.76,1.0152306797290584,28.4,Ring,Base,1,0.2936152950507188,0.25553521420847736,5.18,5.248005885175094,5.26315118664786,5.266405551276218,5.267179948532304,5.267396716913722,5.267324303270072,5.267553613717789,5.26740011288176,5.267220766785874,5.267357593403506,0.26,0.3280058851750943,0.34315118664786043,0.3464055512762188,0.34717994853230366,0.3473967169137222,0.3473243032700718,0.3475536137177893,0.3474001128817609,0.3472207667858743,0.3473575934035063,2.19,2.1219941148249055,2.1068488133521392,2.103594448723781,2.1028200514676962,2.1026032830862778,2.102675696729928,2.1024463862822107,2.102599887118239,2.1027792332141253,2.1026424065964933,second
+272,11.93,96,1.306086402940586e+17,3.19,1.1600209167967532,168.8,Ring,None,0,0.04781352534264838,0.04073787147468827,6.21,4.455177846851683,3.9578341086544233,3.7312259314325953,3.6102164897370863,3.540811581694276,3.49900412461151,3.4734194289571962,3.4574274709955044,3.4474147402701725,3.4410638254668515,1.39,0.5125889234258412,0.26391705432721135,0.15061296571629745,0.09010824486854294,0.05540579084713779,0.03450206230575472,0.021709714478598034,0.01371373549775201,0.00870737013508607,0.005531912733425497,1.56,2.4374110765741586,2.6860829456727884,2.7993870342837024,2.859891755131457,2.8945942091528623,2.915497937694245,2.9282902855214017,2.936286264502248,2.941292629864914,2.944468087266574,third
+273,7.37,91,4.505249703441808e+17,1.6,0.47000362924573563,86.3,Linear,Base,1,1.7439874020086017,1.2211511268235773,2.31,1.328275708392406,1.3277343971393052,1.3270994591308096,1.3266659004704113,1.3262877153269863,1.3260619461241916,1.3262054724352543,1.326528998399421,1.326959597250319,1.3280005215489412,2.42,2.42,2.42,2.42,2.42,2.42,2.42,2.42,2.42,2.42,2.42,3.01,3.3372414305358635,3.3374218676202303,3.3376335136230617,3.337778033176528,3.3379040948910026,3.337979351291934,3.3379315091882455,3.3378236672001895,3.3376801342498905,3.3373331594836833,third
+276,10.29,92,4.6599517706486995e+17,4.66,1.5390154481375546,56.6,Branched,Enzyme,0,1.8038727522184674,1.0716837452976407,7.56,6.820035746807021,6.819999655748308,6.819999045461241,6.81999950522338,6.819999350126586,6.819999465939859,6.819999865206327,6.819999420705184,6.820000275889831,6.820000358037288,0.74,3.5746807020790566e-05,-3.4425169190035756e-07,-9.545387587579693e-07,-4.947766204677735e-07,-6.498734147282967e-07,-5.340601407268337e-07,-1.3479367387017218e-07,-5.792948165091773e-07,2.758898307818774e-07,3.5803728790731835e-07,0.74,1.4799642531929793,1.480000344251692,1.480000954538759,1.4800004947766205,1.4800006498734146,1.4800005340601408,1.4800001347936738,1.4800005792948163,1.479999724110169,1.479999641962712,second
+274,8.57,92,4.517563132039695e+17,1.98,0.6830968447064438,144.5,Branched,None,0,1.305066180207655,0.7745905745468751,4.24,1.49257151808448,0.5254643709389448,0.1851112152392631,0.06522488348686489,0.022985289165939834,0.00810097077345737,0.0028553846355033937,0.001006489249842876,0.00035474137026863725,0.00012518178087499382,4.38,4.38,4.38,4.38,4.38,4.38,4.38,4.38,4.38,4.38,4.38,0.71,3.45742848191552,4.424535629061055,4.764888784760737,4.884775116513135,4.92701471083406,4.941899029226542,4.947144615364497,4.9489935107501575,4.949645258629732,4.949874818219126,first
+275,1.53,90,3.495625209988831e+17,0.72,-0.3285040669720361,183.2,Unknown,Enzyme,0,2.805009580541338,2.4929619447224107,4.27,0.453901301169643,0.04818766704625408,0.005120457333196504,0.000545024731116599,5.8096223010593005e-05,6.068113359868037e-06,5.499445396389224e-07,-8.465468019682308e-08,1.7233037599696389e-07,6.823452318089875e-08,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,0.52,0.52,0.52,0.52,0.52,0.52,0.52,0.52,0.52,0.52,0.52,first
+278,8.88,94,4.3199967581262317e+17,1.03,0.02955880224154443,149.6,Ring,None,1,0.9392322534793892,0.5939554446726101,6.23,1.442054490537014,1.4448965154007267,1.4428825428363092,1.4431169637078487,1.4453313708293767,1.4430752553184851,1.443227962038994,1.4443918341826514,1.442791223845719,1.4438208673587338,4.19,4.19,4.19,4.19,4.19,4.19,4.19,4.19,4.19,4.19,4.19,3.16,4.755981836487662,4.755034494866424,4.755705819054563,4.755627678764049,4.754889543056873,4.755641581560503,4.755590679320333,4.7552027219391135,4.755736258718091,4.755393044213752,third
+277,13.09,92,2.7228815954004995e+17,3.76,1.324418957401803,162.7,Unknown,Enzyme,0,1.2181845090566166,0.8032117794692971,8.35,0.41405391734281066,0.29275368966476417,0.23918267200038798,0.20713770566579542,0.1853040041488201,0.16908307083363683,0.15663943728947802,0.14654271085869744,0.13812707539644678,0.13101290146630654,4.34,4.34,4.34,4.34,4.34,4.34,4.34,4.34,4.34,4.34,4.34,2.07,4.71531536088573,4.755748770111746,4.7736057759998705,4.784287431444734,4.791565331950394,4.796972309722121,4.801120187570174,4.804485763047101,4.8072909748678505,4.809662366177897,third
+271,1.18,90,1.1821214925249029e+17,3.9,1.3609765531356006,132.1,Ring,None,0,0.530564466123484,0.3598427039962296,8.27,6.943037636196064,6.883380191070042,6.880182740314449,6.880009790696548,6.880000693572855,6.880000040382166,6.880000472567622,6.880000236811762,6.879999570603172,6.880000225899959,1.39,0.06303763619606512,0.0033801910700432002,0.00018274031445124147,9.790696548925951e-06,6.935728569259854e-07,4.0382168324238916e-08,4.725676241121765e-07,2.3681176416969618e-07,-4.293968261245333e-07,2.25899961790535e-07,0.3,1.6269623638039348,1.6866198089299569,1.689817259685549,1.6899902093034511,1.6899993064271432,1.6899999596178317,1.689999527432376,1.689999763188236,1.6900004293968263,1.6899997741000383,second
+275,11.71,98,1.5161445828872582e+17,0.9,-0.10536051565782628,59.6,Branched,Acid,0,0.03677410053601427,0.02496414234294019,4.85,3.7728684758042323,3.0896966791525906,2.6138552282769565,2.26851533554896,2.0015543515590744,1.7903846658189693,1.6209670613289378,1.481202825857796,1.3625292998038674,1.261404740003248,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,3.16,3.698565762097884,4.040151660423705,4.278072385861522,4.45074233222552,4.584222824220462,4.689807667090514,4.774516469335531,4.844398587071101,4.903735350098065,4.954297629998376,second
+270,7.96,92,1.4623503810003392e+17,2.82,1.0367368849500223,27.8,Linear,Enzyme,0,0.23224088906870674,0.12820051165270294,2.13,1.768844729655432,1.4689346040038238,1.2193594353989718,1.0118798405594789,0.8401876079416848,0.6983443957412692,0.5807789074606319,0.4824894205712669,0.40067944218720775,0.3327474511421732,1.22,1.22,1.22,1.22,1.22,1.22,1.22,1.22,1.22,1.22,1.22,4.1,4.1,4.1,4.1,4.1,4.1,4.1,4.1,4.1,4.1,4.1,first
+272,10.94,92,2.046109845888896e+17,0.9,-0.10536051565782628,88.6,Ring,Enzyme,1,0.43923002199887334,0.28579316164788443,2.21,1.468204027165785,1.4005137885902768,1.3931971763213107,1.3921652317996334,1.3918638894376918,1.3927591826391104,1.391266892264481,1.39350803163631,1.3916949537097707,1.3930551082780493,2.67,2.67,2.67,2.67,2.67,2.67,2.67,2.67,2.67,2.67,2.67,2.57,2.940897986417107,2.9747431057048614,2.9784014118393447,2.9789173841001833,2.979068055281154,2.978620408680445,2.9793665538677594,2.9782459841818447,2.9791525231451144,2.978472445860975,second
+271,9.04,96,1.764215360566877e+17,0.93,-0.07257069283483537,81.6,Unknown,Enzyme,0,0.055220378911466084,0.04721064025696795,3.86,3.815823696870827,3.771647393741654,3.727471090612481,3.6832947874833084,3.6391184843541353,3.5949421812249622,3.5507658780957896,3.5065895749666165,3.462413271837444,3.418236968708271,2.85,2.85,2.85,2.85,2.85,2.85,2.85,2.85,2.85,2.85,2.85,0.06,0.10417630312917286,0.14835260625834576,0.19252890938751863,0.23670521251669152,0.2808815156458644,0.32505781877503725,0.36923412190421,0.413410425033383,0.4575867281625558,0.5017630312917285,zero
+279,4.32,98,1.404217377550317e+17,1.71,0.5364933705145685,37.2,Unknown,Acid,0,0.06296806546382906,0.04289175353906616,7.02,6.969625547628937,6.919251095257873,6.86887664288681,6.818502190515747,6.768127738144684,6.71775328577362,6.667378833402557,6.617004381031494,6.56662992866043,6.516255476289367,2.3,2.3,2.3,2.3,2.3,2.3,2.3,2.3,2.3,2.3,2.3,2.59,2.6403744523710633,2.6907489047421267,2.7411233571131897,2.791497809484253,2.8418722618553165,2.8922467142263795,2.942621166597443,2.9929956189685063,3.0433700713395693,3.0937445237106327,zero
+270,2.73,90,4.972687265707073e+17,2.47,0.9042181506398859,103.6,Unknown,Base,0,1.9249330262197202,1.4107220623657715,6.61,0.329191056720264,0.23307924182956785,0.19026880922190062,0.1647488993660778,0.14740240321915357,0.13459466536473125,0.12453881867612358,0.11651746174930092,0.10991796295051623,0.1042716887358322,0.46,0.46,0.46,0.46,0.46,0.46,0.46,0.46,0.46,0.46,0.46,0.69,2.783602981093246,2.815640252723478,2.8299103969260337,2.838417033544641,2.8441991989269493,2.848468444878423,2.851820393774626,2.8544941794169,2.8566940123498283,2.858576103754723,third
+270,12.91,97,4.884210163926087e+17,0.69,-0.37106368139083207,156.1,Ring,Base,1,0.08362545643830427,0.07022555296180714,3.12,2.846673726823006,2.7515352294014352,2.714669023381215,2.7005152504098224,2.694351604513953,2.6922383823000047,2.6909890381744805,2.690873286558673,2.690651919619638,2.690526103425232,0.72,0.5833368634115029,0.5357676147007177,0.5173345116906076,0.5102576252049114,0.5071758022569766,0.5061191911500026,0.5054945190872405,0.5054366432793368,0.5053259598098194,0.5052630517126163,4.14,4.276663136588497,4.3242323852992826,4.342665488309393,4.349742374795089,4.352824197743024,4.353880808849998,4.35450548091276,4.354563356720663,4.354674040190182,4.354736948287385,third
+277,1.34,91,4.997087685570592e+17,4.6,1.5260563034950492,111.4,Ring,Base,0,3.451284846612828,2.5772723147045657,8.3,0.24604046717648437,0.17413465669552503,0.1421394640765232,0.12305836343352863,0.11010523637074475,0.10052777459379528,0.09301738407561662,0.08702948948894049,0.0820986374486073,0.07787712585746505,0.3,0.3,0.3,0.3,0.3,0.3,0.3,0.3,0.3,0.3,0.3,1.31,3.994653177607839,4.018621781101492,4.029286845307826,4.035647212188825,4.039964921209752,4.043157408468735,4.045660871974795,4.047656836837021,4.049300454183798,4.050707624714179,third
+270,8.57,99,1.4431292539151475e+17,0.51,-0.6733445532637656,86.8,Unknown,Enzyme,1,0.010137063214536026,0.00798419044389306,2.48,2.1782428167224195,1.967104024105362,1.809800358621449,1.6874832866622522,1.5880201536236107,1.5059014048731352,1.437166550114134,1.3785510423047787,1.3275610318496838,1.2829283463344625,2.63,2.63,2.63,2.63,2.63,2.63,2.63,2.63,2.63,2.63,2.63,0.1,0.20058572775919356,0.27096532529821277,0.32339988045951695,0.36417223777924923,0.39732661545879655,0.4246995317089551,0.4476111499619555,0.4671496525650739,0.48414632271677216,0.49902388455517926,third
+277,3.55,97,3.475099094829489e+17,2.23,0.8020015854720274,134.5,Unknown,Acid,1,0.17731844655005077,0.11845331077311314,1.5,1.3754912078446546,1.2772261786562544,1.1994045947660128,1.1379811474619457,1.089875535845783,1.0521624381873167,1.0221385287033644,0.9983010814449239,0.9795193149460844,0.9647036990347326,1.98,1.98,1.98,1.98,1.98,1.98,1.98,1.98,1.98,1.98,1.98,0.77,0.8945087921553454,0.9927738213437457,1.0705954052339872,1.1320188525380543,1.180124464154217,1.2178375618126833,1.2478614712966356,1.2716989185550762,1.2904806850539157,1.3052963009652674,first
+280,11.83,96,4.37030820412121e+17,3.55,1.2669476034873244,127.0,Ring,None,0,0.5380787151058078,0.4565677154460113,7.71,0.6217172613010401,0.4400380321375066,0.3596484358693751,0.3114877908469659,0.2787117684037186,0.25431810048992665,0.23560209013668676,0.22044166972764018,0.20778748396217223,0.19708954743309523,0.04,0.04,0.04,0.04,0.04,0.04,0.04,0.04,0.04,0.04,0.04,0.52,2.882760912899653,2.9433206559541643,2.9701171880435413,2.986170736384344,2.9970960771987603,3.0052272998366907,3.0114659699544375,3.01651944342412,3.0207375053459424,3.024303484188968,third
+278,11.34,90,4.313509726319947e+17,2.66,0.9783261227936078,109.0,Ring,Base,0,5.293282315112157,4.738014958777245,8.89,0.11701501725512789,0.058852723506247866,0.03932005687082163,0.029539330150661257,0.023647243512897376,0.0197138253692817,0.016895376923698018,0.014802524022898705,0.013155230170104398,0.011836552415183204,1.36,1.36,1.36,1.36,1.36,1.36,1.36,1.36,1.36,1.36,1.36,1.94,6.326492491372438,6.355573638246877,6.36533997156459,6.3702303349246705,6.373176378243552,6.375143087315361,6.376552311538152,6.377598737988552,6.378422384914948,6.379081723792409,second
+275,3.22,98,2.248068875189422e+17,3.07,1.1216775615991057,120.5,Ring,None,0,0.054526930848947795,0.03956781289942945,8.39,4.848008444167577,3.4085117433913945,2.6304821501317455,2.1390467013396015,1.8050046206303196,1.5595646415328495,1.3728006524821972,1.2273728272064561,1.1092121405951816,1.0113438617922634,2.75,2.75,2.75,2.75,2.75,2.75,2.75,2.75,2.75,2.75,2.75,0.87,2.640995777916212,3.3607441283043027,3.7497589249341274,3.9954766493301994,4.162497689684841,4.285217679233576,4.378599673758902,4.451313586396773,4.51039392970241,4.559328069103869,second
+272,11.48,91,4.858413281539783e+17,0.8,-0.2231435513142097,136.4,Branched,Base,1,1.62294417247493,1.1986143152093611,3.99,1.4901651455110974,1.4749295266517006,1.4742746756804783,1.4752909676251775,1.4749643663970717,1.4739987799652028,1.4757676273200788,1.4742845970793088,1.4747011781970407,1.4759333337901477,3.83,1.3301651455110972,1.3149295266517005,1.3142746756804782,1.3152909676251774,1.3149643663970716,1.3139987799652026,1.3157676273200787,1.3142845970793087,1.3147011781970406,1.3159333337901475,0.11,2.6098348544889034,2.6250704733482997,2.625725324319522,2.624709032374823,2.6250356336029284,2.626001220034797,2.6242323726799213,2.6257154029206906,2.625298821802959,2.6240666662098517,second
+280,12.0,94,2.905193835522952e+17,3.23,1.172482137234565,85.8,Branched,None,1,0.8445529987618414,0.44415834719025654,1.58,1.0703285629526629,1.0390583716659683,1.036785232506749,1.0367529955702481,1.0363546010470643,1.0360033981295667,1.0366474056214847,1.0374113877751716,1.0369302241082259,1.0367049415638387,2.93,2.420328562952663,2.3890583716659686,2.3867852325067496,2.386752995570249,2.386354601047065,2.3860033981295676,2.3866474056214853,2.387411387775172,2.3869302241082266,2.3867049415638397,4.16,4.669671437047338,4.700941628334032,4.703214767493251,4.703247004429753,4.703645398952936,4.7039966018704344,4.703352594378517,4.7025886122248295,4.703069775891776,4.703295058436162,second
+278,5.04,95,4.4045445948754176e+17,1.16,0.14842000511827322,174.7,Ring,None,0,0.6212829191713597,0.5166116929521837,8.32,6.279999244269774,6.280001922695032,6.280001334251022,6.280000394146936,6.2800001739087365,6.279999172443901,6.279999066445583,6.279999306286378,6.279998932270101,6.2800005019625535,1.02,-3.778651132998901e-07,9.613475153605924e-07,6.671255104256992e-07,1.9707346753300774e-07,8.69543674581501e-08,-4.1377804974699524e-07,-4.6677720903203345e-07,-3.4685681160485135e-07,-5.338649492989777e-07,2.5098127696466694e-07,4.75,5.770000377865111,5.769999038652483,5.769999332874489,5.769999802926531,5.769999913045632,5.770000413778049,5.7700004667772085,5.77000034685681,5.770000533864947,5.769999749018721,third
+270,8.69,91,4.2072040734378656e+17,3.76,1.324418957401803,93.9,Unknown,None,1,1.0431564267205171,0.5922411007325764,2.6,2.0102729654730083,1.9903950687735013,1.9897236324961405,1.9890924034640973,1.9891003095294377,1.9891346428195327,1.9888726591225419,1.9887682614072926,1.9892111636191785,1.9903282800103013,1.96,1.3702729654730081,1.350395068773501,1.3497236324961401,1.349092403464097,1.3491003095294374,1.3491346428195323,1.3488726591225415,1.3487682614072922,1.3492111636191781,1.350328280010301,4.12,4.709727034526992,4.7296049312265,4.73027636750386,4.7309075965359035,4.730899690470563,4.730865357180468,4.731127340877459,4.731231738592709,4.730788836380823,4.7296717199897005,second
+275,11.68,100,1.1214856138675677e+17,1.58,0.4574248470388755,169.2,Branched,Enzyme,1,0.011342091224960828,0.005930669509636227,2.87,2.442089252607315,2.1527521206865186,1.9418289348579072,1.78385020870616,1.6616282981831634,1.5625155661101913,1.4819742466653536,1.4162666359184013,1.361976072045537,1.3161069232409282,3.86,3.646044626303657,3.501376060343259,3.3959144674289528,3.3169251043530794,3.255814149091581,3.206257783055095,3.1659871233326764,3.1331333179592002,3.105988036022768,3.0830534616204637,4.96,5.173955373696343,5.3186239396567405,5.424085532571046,5.50307489564692,5.564185850908418,5.613742216944903,5.6540128766673226,5.686866682040798,5.714011963977231,5.736946538379535,third
+277,5.1,93,3.298953937872187e+17,1.02,0.01980262729617973,92.9,Ring,Enzyme,0,0.9560509766357266,0.8205033665020192,1.61,0.44928496320921857,0.32389109827042994,0.26640078237698384,0.231409455487948,0.20750869535597338,0.18956635301841604,0.1757423771700636,0.16459149150647587,0.15522581953296094,0.14729602120315127,4.05,4.05,4.05,4.05,4.05,4.05,4.05,4.05,4.05,4.05,4.05,0.96,1.346905012263594,1.38870296724319,1.4078664058743389,1.4195301815040176,1.4274971015480091,1.4334778823271948,1.4380858742766456,1.4418028361645083,1.4449247268223466,1.447567992932283,third
+275,9.35,94,3.4979434220050874e+17,3.65,1.2947271675944,187.5,Branched,Enzyme,0,0.4879982268335777,0.29810110412191615,8.0,1.107195681186679,0.5951395696174266,0.40679854474534227,0.3088250038000093,0.24926241626990875,0.20857564771816872,0.179603425811317,0.15758910178912044,0.14032698132474383,0.12647932374580637,4.89,4.89,4.89,4.89,4.89,4.89,4.89,4.89,4.89,4.89,4.89,4.57,8.016402159406661,8.272430215191287,8.366600727627329,8.415587498099997,8.445368791865047,8.465712176140917,8.480198287094343,8.491205449105442,8.49983650933763,8.506760338127098,second
+276,8.75,99,1.2278002077049909e+17,1.77,0.5709795465857378,90.7,Unknown,Base,0,0.022496385068207943,0.011830401555621229,7.63,7.496405728944751,7.3815970882195545,7.282353688483458,7.19624174396653,7.121607035251164,7.056901564457445,7.000673800061429,6.951568676895137,6.908327596146563,6.8700538296758955,1.05,0.9164057289447506,0.8015970882195546,0.7023536884834578,0.6162417439665299,0.5416070352511635,0.47690156445744464,0.42067380006142796,0.3715686768951369,0.32832759614656304,0.29005382967589566,3.75,3.8835942710552493,3.9984029117804454,4.097646311516542,4.18375825603347,4.258392964748836,4.323098435542555,4.379326199938571,4.428431323104863,4.471672403853437,4.509946170324104,second
+276,6.82,97,3.3641072818222496e+17,3.38,1.2178757094949273,98.6,Unknown,Base,1,0.14736027610252508,0.08642575959015382,5.4,4.871098327068048,4.43228354118858,4.067789805536148,3.7658953452690627,3.5162218366233557,3.3093357405814015,3.137107763661144,2.994159492091119,2.875693062767868,2.7774451262978817,4.11,4.11,4.11,4.11,4.11,4.11,4.11,4.11,4.11,4.11,4.11,0.82,1.348901672931952,1.78771645881142,2.1522101944638514,2.4541046547309375,2.7037781633766445,2.910664259418599,3.0828922363388562,3.225840507908881,3.3443069372321323,3.4425548737021185,first
+277,12.41,100,4.458819999218992e+17,4.51,1.506297153514587,20.5,Linear,Enzyme,1,0.06183980480411442,0.04474893491778395,4.96,3.42811195092934,3.0174352757909513,2.846042838783702,2.764286114279432,2.723265890757813,2.7013265987379382,2.69018128475125,2.683958747038684,2.680645369724005,2.6790717643120034,1.58,0.8140559754646703,0.6087176378954758,0.5230214193918511,0.482143057139716,0.4616329453789066,0.45066329936896926,0.4450906423756252,0.4419793735193421,0.44032268486200266,0.4395358821560018,3.2,3.96594402453533,4.171282362104525,4.25697858060815,4.297856942860285,4.318367054621095,4.329336700631032,4.334909357624376,4.338020626480659,4.339677315137998,4.340464117843999,third
+279,11.22,95,2.0700717635649005e+17,4.01,1.3887912413184778,145.4,Branched,Base,1,0.33834089246577526,0.17723603656148917,9.25,1.5201866294550705,1.5159607484393345,1.5176109721174107,1.5149117122519407,1.516683606625584,1.5178169844562641,1.5158593885577782,1.5159385920547959,1.516758200963354,1.517099427388693,2.77,2.77,2.77,2.77,2.77,2.77,2.77,2.77,2.77,2.77,2.77,4.08,6.656604456848311,6.6580130838535565,6.657463009294197,6.658362762582687,6.657772131124807,6.657394338514581,6.658046870480742,6.658020469315069,6.65774726634555,6.65763352420377,third
+272,13.75,93,4.242025762254534e+17,2.64,0.9707789171582248,109.1,Branched,Enzyme,1,0.5851811391670879,0.3906000376360598,4.93,3.5274925449962806,2.884783509108611,2.5903463792264687,2.4562961945789397,2.39385407568424,2.3659396026105557,2.3525965495424166,2.347153137789831,2.3441352105306414,2.3429424406005754,0.69,0.69,0.69,0.69,0.69,0.69,0.69,0.69,0.69,0.69,0.69,0.92,2.322507455003719,2.965216490891388,3.2596536207735305,3.3937038054210595,3.4561459243157593,3.4840603973894435,3.4974034504575826,3.502846862210168,3.5058647894693578,3.5070575593994238,first
+271,2.09,97,1.1825377484041178e+17,4.2,1.4350845252893227,124.4,Ring,Enzyme,0,0.023746963553150417,0.019250306966666797,4.79,3.7863464658891557,3.2710429645810275,2.9420674925235164,2.7098099280177474,2.537441154212967,2.4017880718005644,2.2912266710054894,2.200077062816581,2.12344047104982,2.057411593272809,1.75,1.2481732329445774,0.9905214822905135,0.8260337462617579,0.7099049640088734,0.6237205771064833,0.555894035900282,0.5006133355027444,0.45503853140829026,0.4167202355249099,0.3837057966364043,2.57,3.071826767055422,3.3294785177094863,3.493966253738242,3.6100950359911264,3.6962794228935163,3.7641059640997176,3.819386664497255,3.864961468591709,3.9032797644750894,3.936294203363595,third
+272,13.64,92,2.8721848305135843e+17,1.89,0.636576829071551,175.8,Branched,Acid,0,0.6165601562526346,0.5412240630200859,3.16,0.2683106709681454,0.14484360136505814,0.09959804397900501,0.07603847846940875,0.061478898153342884,0.05164925673899412,0.044488852551300036,0.03913352033865032,0.03491082594773789,0.031497605113485205,4.71,3.2641553354840736,3.20242180068253,3.179799021989503,3.1680192392347055,3.1607394490766723,3.155824628369498,3.152244426275651,3.1495667601693262,3.1474554129738697,3.1457488025567435,0.51,1.9558446645159273,2.017578199317471,2.0402009780104975,2.051980760765295,2.0592605509233284,2.0641753716305025,2.06775557372435,2.0704332398306744,2.072544587026131,2.074251197443257,third
+275,11.64,98,3.248153403372651e+16,1.44,0.36464311358790924,93.1,Ring,Acid,1,0.007878399010241692,0.0063281019359737335,4.5,4.397917226454799,4.301804518427523,4.211202293962749,4.125691683006558,4.044906156878799,3.9685113370172904,3.8961979935931357,3.8276820455107234,3.7627045604077276,3.7010317546551073,4.46,4.357917226454799,4.261804518427523,4.171202293962749,4.085691683006558,4.004906156878799,3.9285113370172904,3.8561979935931356,3.7876820455107234,3.7227045604077276,3.661031754655107,4.2,4.302082773545201,4.398195481572477,4.488797706037251,4.574308316993442,4.655093843121201,4.73148866298271,4.8038020064068645,4.872317954489277,4.937295439592273,4.998968245344893,second
+273,3.43,93,3.31765981260642e+17,3.47,1.244154593958768,58.0,Ring,Base,1,0.5320729157096943,0.30037392423791115,3.86,3.708576796081137,3.6854528241921067,3.6817913044437898,3.681212267493867,3.681120817387603,3.681130681848375,3.681080998189893,3.6811528510779583,3.6810571655943187,3.681185823308008,0.26,0.10857679608113696,0.0854528241921072,0.0817913044437902,0.0812122674938674,0.08112081738760327,0.08113068184837557,0.08108099818989344,0.08115285107795839,0.08105716559431922,0.08118582330800846,0.35,0.501423203918863,0.5245471758078928,0.5282086955562098,0.5287877325061326,0.5288791826123967,0.5288693181516244,0.5289190018101065,0.5288471489220417,0.5289428344056808,0.5288141766919916,second
+275,4.46,99,2.1751311952048656e+17,4.16,1.425515074273172,146.5,Linear,None,0,0.03406715698339064,0.02008286449230858,2.77,2.2815450508728907,1.9825235725018464,1.7715954503313875,1.6152331856384163,1.491604679127559,1.3913342005741152,1.30859816057653,1.238563304626682,1.177595990516226,1.1241869979863806,1.55,1.3057725254364454,1.1562617862509232,1.050797725165694,0.9726165928192082,0.9108023395637795,0.8606671002870576,0.819299080288265,0.784281652313341,0.7537979952581131,0.7270934989931903,2.48,2.7242274745635546,2.8737382137490766,2.979202274834306,3.0573834071807915,3.11919766043622,3.1693328997129417,3.2107009197117344,3.2457183476866587,3.2762020047418865,3.302906501006809,third
+270,2.48,94,2.0567304108663686e+17,2.53,0.9282193027394288,47.0,Ring,Enzyme,1,0.1340069672169336,0.11742662533408606,1.07,1.1726362579037788,1.2287942799301494,1.259442709194821,1.2752823641537767,1.2838184530935801,1.2884126971191503,1.290369717979041,1.2917420375258362,1.292424929664402,1.2927127670672252,4.22,4.22,4.22,4.22,4.22,4.22,4.22,4.22,4.22,4.22,4.22,2.02,1.9686818710481107,1.9406028600349254,1.9252786454025896,1.9173588179231116,1.91309077345321,1.910793651440425,1.9098151410104796,1.909128981237082,1.908787535167799,1.9086436164663874,second
+270,10.98,99,4.2260375482366317e+17,1.37,0.3148107398400336,187.0,Unknown,Base,0,0.02968522026509792,0.01585612241255816,7.44,7.265395047040408,7.094887796944605,6.928382082628502,6.76578389890943,6.607001571985457,6.451945701416407,6.300528863006123,6.152665607040684,6.008272458288404,5.867267915999835,4.17,4.17,4.17,4.17,4.17,4.17,4.17,4.17,4.17,4.17,4.17,2.19,2.19,2.19,2.19,2.19,2.19,2.19,2.19,2.19,2.19,2.19,first
+271,10.09,90,3.6027123141975776e+17,1.66,0.5068176023684519,107.1,Ring,Enzyme,0,1.6169836583344852,1.1220825515848039,3.32,0.9119474743113741,0.250166561779355,0.06875509974284603,0.01889537516994882,0.00518339643411834,0.001424266771580526,0.00039186416664197606,0.00010766390330364009,2.9660964318041808e-05,8.355092007611401e-06,1.81,1.81,1.81,1.81,1.81,1.81,1.81,1.81,1.81,1.81,1.81,2.17,2.17,2.17,2.17,2.17,2.17,2.17,2.17,2.17,2.17,2.17,first
+273,12.51,98,4.381258032531624e+17,1.38,0.3220834991691132,100.6,Branched,None,1,0.07762921437273894,0.061046907373569624,5.25,4.150807569370818,3.933750031591805,3.8728042607105624,3.854286147779942,3.8485724165788726,3.846622376032508,3.846101476135844,3.8458720118161374,3.8458972999541814,3.845834703824958,0.9,0.350403784685409,0.24187501579590262,0.21140213035528133,0.20214307388997108,0.19928620828943627,0.19831118801625397,0.19805073806792184,0.1979360059080686,0.19794864997709063,0.19791735191247878,3.02,3.569596215314591,3.6781249842040973,3.708597869644719,3.7178569261100294,3.720713791710564,3.7216888119837463,3.721949261932078,3.7220639940919313,3.7220513500229098,3.7220826480875218,third
+270,2.81,97,9.2701681102696e+16,1.83,0.6043159668533296,108.9,Unknown,None,1,0.01587200414115594,0.012203651926903801,5.25,4.5363762741099976,4.124303907659268,3.849084586802598,3.6552016801105913,3.5109074475839988,3.4017748116564626,3.316691203948616,3.248536775687481,3.1938091035762635,3.14936687063125,1.45,1.0931881370549985,0.8871519538296335,0.7495422934012986,0.6526008400552953,0.580453723791999,0.525887405828231,0.4833456019743076,0.44926838784374024,0.42190455178813135,0.3996834353156246,2.05,2.406811862945001,2.612848046170366,2.750457706598701,2.8473991599447044,2.919546276208001,2.974112594171769,3.016654398025692,3.0507316121562593,3.0780954482118683,3.100316564684375,third
+279,10.47,97,1.8223096006274064e+17,2.41,0.8796267475025636,132.3,Unknown,None,1,0.12575807029140304,0.1059189911556528,4.62,1.9712832512680938,1.737047678897324,1.6912063481793946,1.6809812667688755,1.6785984650826842,1.6785866881112272,1.6777889927157896,1.6786288209676838,1.678161162957923,1.6782802607162948,3.17,1.8456416256340469,1.7285238394486617,1.705603174089697,1.7004906333844376,1.6992992325413419,1.6992933440556133,1.6988944963578945,1.6993144104838416,1.6990805814789613,1.6991401303581473,4.21,5.5343583743659535,5.651476160551338,5.674396825910303,5.679509366615562,5.680700767458657,5.680706655944387,5.681105503642105,5.680685589516158,5.6809194185210385,5.680859869641853,third
+278,7.58,98,3.358589898393191e+17,3.31,1.1969481893889715,106.8,Ring,Acid,0,0.12937246575965608,0.0893355079690188,5.54,4.9952948488550195,4.504146763021802,4.060970546476041,3.6611371411410847,3.300752674913106,2.9761283047813594,2.683780216828178,2.420429626228976,2.1830027772522476,1.968630943259564,3.58,3.58,3.58,3.58,3.58,3.58,3.58,3.58,3.58,3.58,3.58,2.78,3.3247051511449808,3.8158532369781977,4.259029453523959,4.658862858858915,5.019247325086893,5.34387169521864,5.636219783171821,5.899570373771024,6.136997222747752,6.3513690567404355,first
+271,2.33,96,1.1407550529237814e+17,2.18,0.7793248768009977,146.1,Linear,Acid,0,0.035705916451934695,0.02164959797928857,3.62,3.3822840548104955,3.180042365352492,3.005526951236478,2.853499090633065,2.720782156651417,2.6044088348562564,2.501598694729241,2.4097581896689637,2.3264806569909573,2.250206849690266,2.5,2.2622840548104954,2.060042365352492,1.885526951236478,1.7334990906330647,1.600782156651417,1.4844088348562563,1.3815986947292405,1.2897581896689636,1.2064806569909572,1.130206849690266,3.31,3.5477159451895046,3.749957634647508,3.924473048763522,4.076500909366935,4.209217843348583,4.325591165143743,4.42840130527076,4.5202418103310364,4.603519343009043,4.6797931503097345,second
+273,6.02,97,1.4485288860777517e+17,1.0,0.0,65.0,Ring,Base,0,0.039874578730307475,0.029933974523884715,2.81,2.7217765741970594,2.6363230358762517,2.5535523991756968,2.4733801798500115,2.395725049342979,2.320508203405693,2.2476531156005377,2.177085537301193,2.1087334976926284,2.042527303771109,1.7,1.7,1.7,1.7,1.7,1.7,1.7,1.7,1.7,1.7,1.7,3.12,3.2082234258029407,3.2936769641237484,3.376447600824304,3.456619820149989,3.5342749506570215,3.6094917965943076,3.682346884399463,3.752914462698808,3.821266502307372,3.8874726962288917,first
+280,9.28,100,4.773823704558558e+17,1.73,0.5481214085096876,81.3,Ring,Base,1,0.10542995719710681,0.0822634061145956,9.48,8.765655864489888,8.76484455927024,8.764883097791389,8.764822364580995,8.764758780555256,8.764843491655801,8.76481373000634,8.764821395298341,8.764811088050319,8.764895245602014,0.4,0.04282793224494426,0.04242227963512068,0.042441548895694826,0.04241118229049915,0.04237939027762983,0.04242174582790284,0.04240686500317273,0.04241069764917326,0.0424055440251612,0.042447622801008736,3.82,4.1771720677550555,4.177577720364879,4.177558451104305,4.177588817709502,4.177620609722371,4.177578254172099,4.17759313499683,4.177589302350829,4.17759445597484,4.177552377198992,third
+275,5.51,91,3.005124820326506e+17,4.48,1.4996230464268938,109.2,Branched,Enzyme,0,1.5571161028115004,0.952873517927026,2.47,0.3464266568595922,0.18626398416199036,0.12735991536323238,0.09674375327901134,0.07808565962327207,0.06535235744584134,0.05625136655125146,0.049385160611375885,0.0439745404575288,0.0396336111855951,4.86,4.86,4.86,4.86,4.86,4.86,4.86,4.86,4.86,4.86,4.86,3.62,4.681786671570203,4.761868007919004,4.791320042318383,4.806628123360493,4.815957170188363,4.822323821277079,4.826874316724374,4.830307419694312,4.8330127297712355,4.835183194407202,second
+272,9.43,90,2.6430864209920125e+17,4.93,1.5953389880545987,56.0,Linear,Base,1,1.3739361246993427,0.7541888872946094,1.84,1.0811994239564935,1.0828088487707865,1.0820307513920298,1.0808313603523076,1.0830453436599028,1.0815968325069254,1.0808069633401034,1.083071282558123,1.0812272856180527,1.081656049672919,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,2.05,2.3029335253478362,2.3023970504097386,2.3026564162026575,2.303056213215898,2.302318218780033,2.302801055831025,2.303064345553299,2.3023095724806257,2.302924238127316,2.3027813167756936,third
+278,11.61,93,3.781315500479117e+17,2.61,0.959350221334602,60.8,Linear,Base,1,1.267166452562579,1.0986209390742425,2.92,2.1019410077718375,2.1025574026860787,2.103281376536957,2.104925532736308,2.105031820426329,2.1042149292559884,2.103520645867252,2.102323376335164,2.1021745688425186,2.1034474366069604,1.3,0.8909705038859188,0.8912787013430391,0.8916406882684783,0.8924627663681536,0.8925159102131639,0.8921074646279934,0.8917603229336254,0.8911616881675813,0.8910872844212582,0.8917237183034792,4.14,4.5490294961140805,4.548721298656961,4.548359311731521,4.5475372336318465,4.5474840897868365,4.547892535372007,4.548239677066376,4.54883831183242,4.548912715578744,4.5482762816965225,third
+277,5.61,93,9.042449662949686e+16,4.14,1.4206957878372228,75.9,Unknown,Base,0,0.26205406302273093,0.1432471592015434,1.08,0.8757417739486217,0.7100891475121235,0.5755026052948662,0.4665402293015381,0.37852990099252504,0.3072258589603957,0.24910085341933466,0.20195649150045497,0.1637975361419653,0.13286040419940467,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.58,0.7842582260513784,0.9499108524878767,1.084497394705134,1.193459770698462,1.2814700990074752,1.3527741410396044,1.4108991465806653,1.4580435084995451,1.4962024638580347,1.5271395958005953,first
+279,9.32,95,2.8784926792649203e+17,4.81,1.5706970841176697,53.9,Unknown,None,0,0.47047247308059803,0.3998350761968259,8.7,5.9711093732579155,4.096881200569177,2.811340487798984,1.9319029619148431,1.3247955253295434,0.9102916738208693,0.6249013032053538,0.428728470774981,0.29479276353357187,0.20233091747955192,3.67,3.67,3.67,3.67,3.67,3.67,3.67,3.67,3.67,3.67,3.67,3.4,6.128890626742084,8.003118799430823,9.288659512201015,10.168097038085154,10.775204474670455,11.18970832617913,11.475098696794644,11.671271529225017,11.805207236466426,11.897669082520446,first
+272,3.26,90,4.3834857071079206e+17,2.94,1.0784095813505903,51.7,Linear,None,0,2.2786350522879917,1.8076224303958213,8.44,0.5303175283301917,0.37720423465848707,0.30935001330589673,0.2690140256662739,0.24123449176021045,0.2209065806039326,0.2050771642604995,0.19224434748768787,0.18164489728621605,0.17267750696151746,4.21,0.2551587641650961,0.17860211732924375,0.14467500665294858,0.12450701283313717,0.11061724588010544,0.10045329030196651,0.09253858213024996,0.08612217374384415,0.08082244864310824,0.07633875348075894,2.16,6.114841235834904,6.191397882670756,6.225324993347051,6.245492987166863,6.259382754119895,6.269546709698034,6.27746141786975,6.283877826256156,6.289177551356892,6.293661246519241,third
+275,7.27,97,1.6255188089451418e+17,4.68,1.5432981099295553,38.1,Ring,Enzyme,0,0.061058263011478105,0.053174477315926956,3.94,3.8911533895908175,3.8423067791816345,3.793460168772452,3.7446135583632696,3.695766947954087,3.6469203375449046,3.598073727135722,3.5492271167265397,3.5003805063173568,3.4515338959081743,0.96,0.96,0.96,0.96,0.96,0.96,0.96,0.96,0.96,0.96,0.96,1.18,1.2288466104091824,1.277693220818365,1.3265398312275474,1.3753864416367299,1.4242330520459123,1.4730796624550948,1.5219262728642773,1.57077288327346,1.6196194936826425,1.668466104091825,zero
+275,12.69,97,4.55264862780842e+17,4.96,1.601405740736836,182.4,Branched,Acid,1,0.17100805957204557,0.1467236344107194,3.04,1.3759226942340388,1.298180053136896,1.289579191256799,1.2885740475355125,1.2888360473855882,1.2881452413508079,1.2887985554986652,1.2892505729238586,1.2875079250087234,1.2900553326053028,0.99,0.99,0.99,0.99,0.99,0.99,0.99,0.99,0.99,0.99,0.99,1.91,2.46469243525532,2.4906066489543677,2.4934736029144,2.4938086508214954,2.493721317538137,2.4939515862163972,2.493733814833778,2.493583142358714,2.494164024997092,2.4933148891315655,third
+270,10.36,100,3.860454013001141e+17,1.85,0.6151856390902335,196.8,Linear,Acid,0,0.01736907501180885,0.014811653319829133,2.7,2.6627422504322786,2.625998626819923,2.589762034664454,2.5540254755785448,2.518782049372102,2.4840249549726017,2.4497474821880525,2.4159430114910236,2.3826050140186448,2.349727051572605,0.39,0.39,0.39,0.39,0.39,0.39,0.39,0.39,0.39,0.39,0.39,2.75,2.7872577495677215,2.824001373180077,2.8602379653355463,2.8959745244214554,2.9312179506278984,2.9659750450273985,3.0002525178119477,3.0340569885089765,3.0673949859813554,3.100272948427395,first
+270,2.73,96,4.197785302099143e+17,1.02,0.01980262729617973,62.7,Unknown,Acid,1,0.11221037085111549,0.07377927091020418,6.58,3.1614216728680447,2.2489725139129293,1.875871037082739,1.6973060296485833,1.6071290495015462,1.5586656100738492,1.533213295924345,1.5185755196572193,1.5113250264426143,1.507039327236705,3.86,3.86,3.86,3.86,3.86,3.86,3.86,3.86,3.86,3.86,3.86,0.89,2.5992891635659783,3.055513743043536,3.2420644814586312,3.3313469851757094,3.376435475249228,3.4006671949630762,3.4133933520378283,3.420712240171391,3.4243374867786933,3.426480336381648,second
+274,5.74,99,2.8161989411205834e+17,1.96,0.6729444732424258,119.6,Ring,Acid,1,0.03766013156894764,0.0298488791200152,7.56,2.327047042677638,1.7853837250297555,1.5745783040234091,1.471418204853948,1.4144446937497885,1.383217705747502,1.3641865089705698,1.3532103753290408,1.3471008602722696,1.3429980389434644,0.5,0.5,0.5,0.5,0.5,0.5,0.5,0.5,0.5,0.5,0.5,0.94,2.684317652440787,2.8648720916567476,2.9351405653255296,2.9695272650486833,2.9885184354167365,2.9989274314174987,3.005271163676476,3.008929874890319,3.010966379909243,3.012333987018845,third
+274,8.65,96,4.906113395486907e+17,0.6,-0.5108256237659907,185.1,Linear,None,1,0.2448436564848093,0.13122941862449053,3.75,1.043470712940269,0.9140108461806711,0.888555714967173,0.8827360518685597,0.881554540278636,0.881274826049971,0.8810068906116219,0.8810658957179225,0.8813860471148953,0.8811801460151427,0.24,0.24,0.24,0.24,0.24,0.24,0.24,0.24,0.24,0.24,0.24,0.32,1.2221764290199104,1.2653297179397762,1.273814761677609,1.2757546493771468,1.276148486573788,1.2762417246500095,1.2763310364627927,1.2763113680940257,1.2762046509617013,1.276273284661619,third
+279,7.85,95,1.190863618404739e+17,1.1,0.09531017980432493,97.0,Branched,None,0,0.19463956107599437,0.12249947446753034,1.91,1.2242422095588874,0.8491575302005052,0.6168095015603365,0.46172175684345595,0.35266319489537534,0.27310185972035494,0.21410454022062905,0.1690073879143281,0.1342076548151304,0.10710257039520192,3.24,2.5542422095588875,2.1791575302005053,1.9468095015603364,1.7917217568434558,1.6826631948953754,1.603101859720355,1.544104540220629,1.4990073879143282,1.4642076548151304,1.4371025703952018,0.19,0.8757577904411125,1.2508424697994949,1.4831904984396636,1.638278243156544,1.7473368051046245,1.826898140279645,1.885895459779371,1.9309926120856717,1.9657923451848696,1.992897429604798,second
+271,2.01,98,3.20420137078171e+17,4.27,1.451613827240533,135.0,Ring,Acid,1,0.04128175613615958,0.02081471269711777,7.25,7.035097410004889,6.830609760067376,6.636027696531623,6.450872067103903,6.2746923002869375,6.1070559776556,5.947548823737496,5.795774706012956,5.651355634915037,5.513931763829522,2.68,2.68,2.68,2.68,2.68,2.68,2.68,2.68,2.68,2.68,2.68,1.15,1.3649025899951102,1.5693902399326234,1.7639723034683774,1.9491279328960964,2.125307699713063,2.2929440223444004,2.4524511762625036,2.604225293987044,2.7486443650849632,2.8860682361704777,first
+271,13.66,90,3.109141891876284e+17,0.97,-0.030459207484708574,184.3,Ring,None,0,1.395457419898614,1.0656279411597112,9.99,0.42998939052025975,0.21995589003383295,0.14772893017660157,0.11114165983614588,0.08909893947870029,0.0743741894958475,0.06383896784648874,0.05585777717831547,0.04970900006401929,0.04478681985294733,4.21,4.21,4.21,4.21,4.21,4.21,4.21,4.21,4.21,4.21,4.21,0.97,5.7500053047398705,5.855022054983084,5.891135534911699,5.9094291700819275,5.920450530260649,5.927812905252076,5.933080516076756,5.937071111410843,5.940145499967991,5.9426065900735265,second
+271,3.37,93,1.727937905532132e+17,1.01,0.009950330853168092,32.4,Ring,Base,1,0.2048047603469262,0.17908838575234054,9.36,8.407383945480726,8.407357384120559,8.407418283273545,8.407349501714254,8.407376757092976,8.407364681363727,8.407352418738144,8.407393122135764,8.407357998320403,8.407396099318625,0.49,0.0136919727403628,0.013678692060279536,0.013709141636772315,0.013674750857126779,0.013688378546489133,0.013682340681865994,0.013676209369074712,0.013696561067884817,0.013678999160205575,0.013698049659315788,0.63,1.1063080272596373,1.1063213079397205,1.1062908583632278,1.1063252491428734,1.1063116214535111,1.1063176593181343,1.1063237906309256,1.1063034389321158,1.1063210008397948,1.1063019503406848,third
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+279,7.17,94,4.1630111524655706e+17,2.35,0.8544153281560676,75.1,Branched,Base,0,1.0471390537464036,0.9039252951899319,6.51,2.884710990159159,2.727109884365907,2.7117628946892696,2.710182278967106,2.7100191105903306,2.7100018670691925,2.7100000905393387,2.7099999769599092,2.7100002507694048,2.710000118437007,3.8,0.17471099015915845,0.017109884365906738,0.001762894689268967,0.00018227896710529788,1.9110590329928663e-05,1.867069191629877e-06,9.053933790730315e-08,-2.3040091824329327e-08,2.507694036624762e-07,1.1843700563891492e-07,3.35,6.975289009840842,7.132890115634094,7.148237105310732,7.149817721032895,7.1499808894096715,7.1499981329308095,7.1499999094606626,7.150000023040092,7.149999749230597,7.149999881562995,second
+275,1.4,94,4.241010876358665e+17,2.88,1.0577902941478545,170.5,Ring,Base,1,0.5916635971369167,0.49313219074605047,6.67,1.8749911512378257,1.8275314003328158,1.8258203626560625,1.8233088120188914,1.8259135197509673,1.8269950898766067,1.8274823769614774,1.829828413646388,1.826698952331817,1.8265331486951975,3.9,3.9,3.9,3.9,3.9,3.9,3.9,3.9,3.9,3.9,3.9,1.58,3.9775044243810873,4.001234299833592,4.002089818671969,4.003345593990555,4.002043240124517,4.001502455061697,4.001258811519262,4.000085793176807,4.001650523834093,4.001733425652403,second
+270,8.87,100,3.782134275771096e+17,0.66,-0.4155154439616658,45.2,Branched,Acid,0,0.017016696409117953,0.01181264637889996,7.97,7.508375469156446,7.114594268037757,6.7743421433175595,6.478667478824709,6.220373882001935,5.993043804559617,5.791038542475782,5.609506432059397,5.445759704350996,5.298001230118143,4.62,4.1583754691564465,3.764594268037757,3.4243421433175603,3.1286674788247093,2.8703738820019358,2.643043804559618,2.4410385424757823,2.259506432059397,2.095759704350996,1.9480012301181433,1.23,1.6916245308435538,2.085405731962243,2.42565785668244,2.721332521175291,2.9796261179980643,3.206956195440382,3.408961457524218,3.5904935679406034,3.7542402956490046,3.9019987698818572,second
+275,4.8,97,1.2977017875704667e+17,3.09,1.128171090909654,21.3,Unknown,Enzyme,0,0.048744694075463564,0.03368607431848407,1.13,1.0910182833253503,1.0549234507182867,1.0214053568973287,0.9901939465342381,0.9610691712583999,0.933833574490028,0.9083086768850375,0.8843349763350432,0.8617719479673609,0.8404980441450065,0.92,0.8810182833253504,0.8449234507182869,0.811405356897329,0.7801939465342383,0.7510691712584001,0.7238335744900283,0.6983086768850377,0.6743349763350435,0.6517719479673612,0.6304980441450068,1.23,1.2689817166746495,1.3050765492817131,1.3385946431026712,1.3698060534657617,1.3989308287416,1.426166425509972,1.4516913231149624,1.4756650236649567,1.498228052032639,1.5195019558549934,second
+270,6.4,90,4.059748103805805e+17,0.57,-0.5621189181535413,35.6,Branched,Enzyme,0,1.5715332144535112,0.953768627182572,5.09,2.3905763983877053,2.390000603924766,2.3900018461554424,2.390000729453326,2.3900035588866912,2.38999907495218,2.3899993281011898,2.390000120788509,2.390001071435215,2.390001419986255,1.35,0.00028819919385277264,3.0196238304503574e-07,9.230777211998298e-07,3.647266626456042e-07,1.7794433454704178e-06,-4.625239100962019e-07,-3.3594940535674063e-07,6.03942544303407e-08,5.35717607237319e-07,7.099931272827108e-07,4.57,5.919711800806147,5.919999698037617,5.919999076922279,5.919999635273338,5.919998220556654,5.92000046252391,5.920000335949405,5.919999939605746,5.919999464282394,5.919999290006873,third
+275,13.21,95,3.810771410156407e+17,0.51,-0.6733445532637656,80.3,Unknown,Base,0,0.34329490344718405,0.23993812863630234,2.25,1.7096342020965891,1.29907507002985,0.9862303883330916,0.7492062233076623,0.5702470566482115,0.4335639106075633,0.3291875873982487,0.2502463291743281,0.1904259974100488,0.144700336350569,3.34,3.34,3.34,3.34,3.34,3.34,3.34,3.34,3.34,3.34,3.34,3.99,3.99,3.99,3.99,3.99,3.99,3.99,3.99,3.99,3.99,3.99,first
+279,13.54,92,2.836531612663684e+17,2.42,0.883767540168595,64.1,Unknown,Enzyme,1,1.6898174809515638,1.125694113760027,7.41,4.0573414215874735,4.057211684878383,4.057053057642442,4.057083842918505,4.05744281695531,4.057250926931653,4.056963822290643,4.057092922551727,4.057552962763221,4.057195050726938,1.79,0.11367071079373608,0.11360584243919102,0.11352652882122077,0.11354192145925256,0.11372140847765486,0.11362546346582633,0.11348191114532186,0.11354646127586415,0.11377648138161103,0.1135975253634697,1.13,2.8063292892062632,2.8063941575608085,2.806473471178779,2.8064580785407474,2.806278591522345,2.8063745365341735,2.8065180888546783,2.8064535387241363,2.8062235186183893,2.806402474636531,third
+274,9.26,95,3.214054306258063e+16,4.21,1.43746264769429,81.8,Linear,Acid,0,0.024879906437685,0.022287742195194808,2.62,2.568367267298772,2.517752068981079,2.4681343524105546,2.419494449186382,2.3718130888338544,2.3250714033844098,2.2792508794601467,2.234333357153732,2.190301030028395,2.1471364451179342,3.88,3.88,3.88,3.88,3.88,3.88,3.88,3.88,3.88,3.88,3.88,3.55,3.55,3.55,3.55,3.55,3.55,3.55,3.55,3.55,3.55,3.55,first
+273,7.88,97,1.6653067054594717e+17,3.69,1.3056264580524357,145.0,Unknown,Acid,0,0.04584196005697629,0.023116318035172816,5.51,5.473326431954419,5.436652863908837,5.399979295863257,5.363305727817675,5.326632159772094,5.289958591726513,5.253285023680932,5.216611455635351,5.1799378875897695,5.143264319544189,3.24,3.24,3.24,3.24,3.24,3.24,3.24,3.24,3.24,3.24,3.24,2.78,2.816673568045581,2.853347136091162,2.890020704136743,2.926694272182324,2.963367840227905,3.000041408273486,3.0367149763190673,3.0733885443646485,3.1100621124102292,3.1467356804558104,zero
+271,8.61,99,3.2702559092435046e+17,1.61,0.4762341789963717,73.4,Unknown,None,0,0.027031204033415163,0.021958766617188537,9.71,8.931871364045692,8.337904999143456,7.871194525444809,7.4998546072779435,7.200086574316426,6.951880961313216,6.743689702371438,6.569009005307876,6.4213744747463055,6.295497399526317,4.27,3.4918713640456907,2.8979049991434547,2.431194525444807,2.0598546072779422,1.760086574316425,1.5118809613132145,1.303689702371437,1.1290090053078752,0.9813744747463046,0.8554973995263164,4.5,5.2781286359543085,5.872095000856545,6.338805474555192,6.710145392722057,7.009913425683575,7.258119038686785,7.466310297628563,7.640990994692125,7.788625525253695,7.914502600473684,second
+275,8.88,97,2.2472176255768748e+16,4.72,1.5518087995974639,64.3,Unknown,Base,1,0.00844107149492435,0.006981666288412806,2.92,2.5667007064158187,2.3348185469305154,2.167802973790338,2.044231364815602,1.950115569900642,1.8744570623000678,1.8133965503581584,1.7641108194968904,1.7238863774225428,1.6903092553657064,1.66,1.66,1.66,1.66,1.66,1.66,1.66,1.66,1.66,1.66,1.66,3.58,3.697766431194727,3.7750604843564948,3.8307323420698873,3.871922878394799,3.9032948100331195,3.928514312566644,3.9488678165472804,3.9652963935010366,3.9787045408591526,3.989896914878098,third
+275,1.76,90,8.599523680071053e+16,1.39,0.3293037471426003,121.0,Branched,None,1,0.6900552794322159,0.41430068877699855,6.09,1.4070564848949139,1.406365879224877,1.4059698489275085,1.406452193197397,1.4063220278912134,1.4068361747148885,1.4070166208251327,1.4074679222030997,1.4078315478825578,1.407656416710171,2.28,2.28,2.28,2.28,2.28,2.28,2.28,2.28,2.28,2.28,2.28,3.08,4.6409811717016956,4.641211373591708,4.64134338369083,4.641182602267534,4.641225990702928,4.64105460842837,4.640994459724956,4.640844025932301,4.640722817372482,4.640781194429945,third
+277,6.35,100,2.6671032679819542e+17,2.7,0.9932517730102834,157.4,Ring,Base,1,0.036990312574472495,0.025652735665248838,7.72,7.317282728742898,7.016615308285606,6.7874052725245,6.6116633573117305,6.475527154318177,6.367626216733496,6.281996316394303,6.214300714856573,6.160538973559548,6.117261527339013,2.23,1.8272827287428979,1.5266153082856058,1.2974052725245004,1.1216633573117307,0.9855271543181778,0.8776262167334956,0.7919963163943038,0.7243007148565727,0.6705389735595483,0.627261527339014,2.04,2.442717271257102,2.743384691714394,2.9725947274755,3.1483366426882693,3.2844728456818224,3.392373783266504,3.4780036836056962,3.5456992851434275,3.599461026440452,3.6427384726609864,second
+276,2.43,95,4.505633194754145e+17,4.38,1.4770487243883548,178.1,Linear,Acid,0,0.471836981759147,0.42049662219872247,1.99,1.6125304145926824,1.2350608291853644,0.8575912437780471,0.4801216583707295,0.10265207296341194,-0.2748175124439063,-0.6522870978512241,-1.029756683258542,-1.4072262686658594,-1.784695854073178,4.6,4.6,4.6,4.6,4.6,4.6,4.6,4.6,4.6,4.6,4.6,4.38,4.757469585407318,5.134939170814636,5.512408756221953,5.889878341629271,6.267347927036589,6.644817512443907,7.022287097851224,7.399756683258543,7.77722626866586,8.154695854073179,zero
+275,11.81,96,2.765424269930705e+16,1.97,0.6780335427498971,182.6,Ring,Acid,0,0.016086635516954922,0.010001517236189902,6.07,3.1038190636124896,2.35276626214932,1.9707985279576699,1.7284342114418154,1.5591587017178417,1.4314306365805072,1.3297173404204974,1.2476555345608231,1.1796852037355654,1.1213316218095577,4.63,4.63,4.63,4.63,4.63,4.63,4.63,4.63,4.63,4.63,4.63,4.62,5.608726978795837,5.859077912616893,5.986400490680777,6.067188596186061,6.123613766094052,6.1661897878064975,6.2000942198598334,6.227448155146392,6.250104932088145,6.26955612606348,third
+275,7.1,91,4.344629252747037e+16,1.0,0.0,89.0,Unknown,Base,0,0.22511850837075315,0.1853173202727332,5.15,4.301232571738154,3.5921180263756134,2.9991922877709127,2.504632815312027,2.0925524566698073,1.7485730963673234,1.4604093311071105,1.2196450996389876,1.0187097117872503,0.8509020190784967,2.5,2.5,2.5,2.5,2.5,2.5,2.5,2.5,2.5,2.5,2.5,1.09,1.9387674282618463,2.6478819736243873,3.2408077122290875,3.7353671846879735,4.147447543330194,4.491426903632677,4.779590668892891,5.0203549003610135,5.221290288212751,5.3890979809215045,first
+273,3.94,100,4.086946030287531e+17,2.6,0.9555114450274363,118.6,Ring,Base,0,0.030001300837297122,0.02203246472118889,1.68,1.6401582850133274,1.60126142913238,1.563287024376998,1.5262131657023839,1.4900185143313398,1.4546822541807174,1.420184033763876,1.386503966190684,1.353622629167517,1.3215210649972604,1.96,1.96,1.96,1.96,1.96,1.96,1.96,1.96,1.96,1.96,1.96,2.47,2.5098417149866727,2.54873857086762,2.586712975623002,2.6237868342976163,2.6599814856686606,2.695317745819283,2.729815966236124,2.763496033809316,2.796377370832483,2.8284789350027397,first
+271,7.31,94,1.2259469722684587e+17,3.6,1.2809338454620642,114.5,Branched,None,0,0.0932242482372611,0.0814132124194412,3.08,2.858651936955408,2.653211517517115,2.4625216629577724,2.285508740036752,2.1212237320026057,1.9687701216658064,1.8273004682472034,1.696016407378023,1.574168651099869,1.4610569878647224,4.87,4.87,4.87,4.87,4.87,4.87,4.87,4.87,4.87,4.87,4.87,3.02,3.241348063044592,3.446788482482885,3.6374783370422277,3.814491259963248,3.9787762679973944,4.131229878334194,4.272699531752797,4.4039835926219775,4.525831348900131,4.638943012135278,first
+277,12.73,92,3.495009772444616e+17,1.74,0.5538851132264376,106.2,Ring,None,0,1.5636253779765588,1.3614745663568728,8.66,8.030025508051665,8.029999183531487,8.029999267855883,8.029999619999113,8.029998980024763,8.029999517462276,8.029999337534907,8.029999519908333,8.029999778365939,8.030000158379707,0.63,2.5508051663802096e-05,-8.164685123046768e-07,-7.321441170794545e-07,-3.800008888132442e-07,-1.0199752403535362e-06,-4.825377277664244e-07,-6.62465096837619e-07,-4.800916709757357e-07,-2.2163406664951973e-07,1.5837970077557406e-07,0.72,1.3499744919483363,1.3500008164685127,1.3500007321441174,1.3500003800008893,1.3500010199752406,1.3500004825377283,1.3500006624650973,1.3500004800916712,1.3500002216340667,1.3499998416202994,second
+273,12.97,94,3.085330429946133e+17,2.33,0.8458682675776092,87.7,Unknown,Enzyme,0,0.3184919022081881,0.21688885641715594,6.08,5.82520647823345,5.570412956466899,5.3156194347003485,5.060825912933798,4.806032391167248,4.551238869400697,4.296445347634146,4.0416518258675955,3.7868583041010453,3.5320647823344946,0.79,0.79,0.79,0.79,0.79,0.79,0.79,0.79,0.79,0.79,0.79,1.75,2.0047935217665507,2.2595870435331014,2.5143805652996516,2.769174087066202,3.0239676088327525,3.278761130599303,3.533554652365854,3.7883481741324045,4.043141695898955,4.297935217665506,zero
+279,2.58,90,2.279067681957653e+17,4.08,1.4060969884160703,175.1,Unknown,Base,0,3.2156204413465104,1.7246973855786383,5.81,0.8889548939488547,0.838967741192394,0.8315000413908298,0.8302554717021045,0.8300431316590509,0.8300072021187775,0.8300010480652821,0.8300003635390113,0.830000063489008,0.8300002482821516,2.49,0.029477446974427828,0.004483870596197476,0.000750020695415373,0.0001277358510526901,2.156582952586768e-05,3.6010593892608973e-06,5.240326414916708e-07,1.8176950611229762e-07,3.174450449354468e-08,1.2414107626559423e-07,4.87,7.330522553025572,7.355516129403801,7.359249979304583,7.359872264148946,7.359978434170472,7.359996398940609,7.359999475967356,7.3599998182304915,7.359999968255494,7.359999875858922,third
+276,8.76,97,2.115211653459307e+17,1.01,0.009950330853168092,126.7,Unknown,Base,0,0.09265405266748902,0.057708835727964626,1.46,1.0799308866028159,0.8178625679858013,0.6293285883152211,0.4911047312563948,0.38637203791403785,0.3056840884865697,0.24341262937446909,0.19470238784360425,0.15605973303674164,0.12540915797913743,4.27,3.8899308866028153,3.6278625679858005,3.4393285883152207,3.301104731256394,3.1963720379140375,3.115684088486569,3.0534126293744683,3.004702387843604,2.966059733036741,2.935409157979137,2.59,2.970069113397184,3.232137432014199,3.4206714116847787,3.5588952687436053,3.663627962085962,3.7443159115134304,3.806587370625531,3.8552976121563955,3.8939402669632583,3.9245908420208626,second
+271,5.95,92,2.6972840127716572e+16,4.25,1.4469189829363254,117.6,Linear,Enzyme,0,0.04983027729466175,0.042942033718241075,6.29,5.852180087934148,5.527479717530326,5.2794921099948535,5.087880438863033,4.93753473060491,4.816307016207655,4.718136836768763,4.638634633216256,4.573801245808126,4.52025947284165,2.04,1.6021800879341477,1.2774797175303267,1.029492109994853,0.837880438863033,0.6875347306049103,0.566307016207655,0.4681368367687635,0.3886346332162563,0.3238012458081262,0.2702594728416498,4.73,5.167819912065853,5.492520282469674,5.740507890005147,5.932119561136967,6.08246526939509,6.203692983792346,6.301863163231237,6.381365366783744,6.446198754191874,6.499740527158351,second
+277,1.56,95,4.366474303527403e+17,2.58,0.9477893989335261,35.9,Branched,None,1,0.5309781742744121,0.451614204005995,3.62,1.0988428244926942,1.0421356883387067,1.0381290949989235,1.037812597357198,1.0382935244319726,1.0376200973262355,1.0373139284502721,1.0379237823062364,1.0387456003585427,1.038146100794785,2.35,1.0894214122463466,1.061067844169353,1.0590645474994613,1.0589062986785984,1.0591467622159858,1.0588100486631171,1.0586569642251356,1.0589618911531178,1.059372800179271,1.0590730503973922,0.05,1.3105785877536533,1.3389321558306468,1.3409354525005386,1.3410937013214015,1.340853237784014,1.3411899513368828,1.3413430357748644,1.3410381088468821,1.3406271998207289,1.3409269496026077,third
+276,4.0,97,2.682652921231299e+17,4.73,1.5539252025038417,160.7,Ring,Base,0,0.11751006791488439,0.06737280838531058,4.56,4.150855406192117,3.7784221790444934,3.4393485608422165,3.1305582264577123,2.8494948106329243,2.593767029482805,2.3611247029282434,2.1494587546960653,1.9568012123190308,1.7813252071358379,3.5,3.5,3.5,3.5,3.5,3.5,3.5,3.5,3.5,3.5,3.5,3.79,3.79,3.79,3.79,3.79,3.79,3.79,3.79,3.79,3.79,3.79,first
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+280,4.39,91,4.002453997711919e+17,2.67,0.9820784724121582,137.5,Unknown,Base,0,4.221387441422948,3.5800318995371807,5.92,0.08846099844995925,0.04624357734408105,0.03139725414530298,0.023797949413289353,0.01916722413686583,0.016042801492217266,0.01379277768848569,0.012113234084497663,0.010785930264802169,0.009720195393214878,4.46,1.5442304992249796,1.5231217886720405,1.5156986270726516,1.5118989747066447,1.509583612068433,1.5080214007461088,1.506896388844243,1.506056617042249,1.5053929651324014,1.5048600976966076,4.95,7.865769500775021,7.88687821132796,7.894301372927349,7.8981010252933554,7.900416387931568,7.901978599253892,7.903103611155758,7.903943382957752,7.9046070348676,7.905139902303394,third
+273,2.29,100,3.4431940635555034e+17,2.04,0.712949807856125,107.3,Linear,None,1,0.02527567043371421,0.01883755858131579,8.63,8.305729493133711,8.046880805359189,7.837460255743757,7.667167361874825,7.52864151760538,7.415159779086727,7.320640330259407,7.241398086447932,7.175353611140287,7.120145774624973,2.39,2.06572949313371,1.8068808053591883,1.5974602557437565,1.4271673618748248,1.2886415176053791,1.175159779086726,1.0806403302594065,1.001398086447931,0.9353536111402865,0.8801457746249728,3.55,3.87427050686629,4.133119194640812,4.342539744256244,4.512832638125175,4.65135848239462,4.764840220913274,4.859359669740592,4.938601913552068,5.004646388859713,5.059854225375027,second
+274,1.56,90,4.789464725055769e+17,2.25,0.8109302162163288,181.1,Linear,Base,0,3.3289233776036298,2.0272109990550766,2.75,0.10296588577983826,0.0149945894314819,0.0024113089612696455,0.0003935879773539672,6.478206745245965e-05,1.049802844168714e-05,1.6537262781162093e-06,3.3492490754550044e-07,2.0366639114730232e-07,6.573663482983773e-08,3.43,0.7829658857798384,0.6949945894314821,0.6824113089612699,0.6803935879773543,0.6800647820674528,0.680010498028442,0.6800016537262784,0.6800003349249079,0.6800002036663914,0.6800000657366351,0.66,3.3070341142201616,3.395005410568518,3.4075886910387303,3.409606412022646,3.409935217932548,3.409989501971559,3.4099983462737224,3.409999665075093,3.4099997963336093,3.4099999342633653,second
+270,5.88,90,2.206709387223137e+17,3.43,1.2325602611778486,115.6,Branched,None,0,0.8542197712750997,0.5937418635954268,8.97,0.4940199428591665,0.3495752547146998,0.28546542279392206,0.24745546150705913,0.22116825693668876,0.20199963949142477,0.18706950307668177,0.17493221213164095,0.16490698508880763,0.15642638534517517,1.15,1.15,1.15,1.15,1.15,1.15,1.15,1.15,1.15,1.15,1.15,0.17,2.995326685713612,3.043474915095101,3.0648448590686934,3.077514846164314,3.0862772476877707,3.092666786836192,3.0976434989744397,3.101689262622787,3.1050310049703977,3.1078578715516088,third
+271,6.38,92,1.7823748036877686e+17,3.89,1.358409157630355,126.3,Branched,Enzyme,0,0.32928023259780725,0.19027368013441645,1.1,0.6469026004595351,0.5020182202529939,0.4249826845384769,0.374977079709474,0.3393982985519281,0.3120830941971441,0.29066908369290456,0.27322968075155485,0.25842547475120947,0.24577940597742154,2.06,2.06,2.06,2.06,2.06,2.06,2.06,2.06,2.06,2.06,2.06,4.62,4.771032466513488,4.819327259915668,4.8450057718205075,4.861674306763509,4.87353390048269,4.882638968600952,4.889776972102365,4.895590106416148,4.900524841749597,4.904740198007526,third
+278,10.6,90,4.4617421782533203e+17,4.1,1.410986973710262,79.4,Ring,None,0,5.475184354548162,4.794990550558526,5.02,0.19526688135555387,0.13822967165997704,0.11283151512610143,0.09769671908898434,0.08740659082201684,0.07981278705152921,0.07384853827932923,0.06909050704425292,0.06517715211523709,0.061829854831941033,3.09,3.09,3.09,3.09,3.09,3.09,3.09,3.09,3.09,3.09,3.09,0.1,1.7082443728814822,1.7272567761133413,1.7357228282912998,1.7407677603036722,1.744197803059328,1.7467290709828238,1.7487171539068906,1.7503031643185827,1.7516076159615879,1.7527233817226866,third
+274,6.15,96,4.3277996042116224e+17,0.75,-0.2876820724517809,127.6,Ring,None,0,0.2159824272719487,0.16121943344975662,5.02,1.8427160831076523,1.1269693207625733,0.8123143762629809,0.6347057249086505,0.5208209682561398,0.4415669160330843,0.3836071017523631,0.3386626701264603,0.3032480635243961,0.27455469231200363,2.66,2.66,2.66,2.66,2.66,2.66,2.66,2.66,2.66,2.66,2.66,4.69,6.278641958446174,6.636515339618714,6.79384281186851,6.882647137545675,6.939589515871931,6.979216541983458,7.008196449123819,7.03066866493677,7.048375968237803,7.062722653843998,second
+270,13.2,97,4.158747884052245e+16,4.84,1.5769147207285403,152.5,Ring,Enzyme,0,0.007120438685958313,0.005560250787599928,5.87,5.836657475447938,5.803504341687854,5.770539522954727,5.73776194957622,5.705170557922371,5.6727642905227915,5.640542095878736,5.608502928410115,5.576645748455489,5.544969522272072,3.59,3.59,3.59,3.59,3.59,3.59,3.59,3.59,3.59,3.59,3.59,4.34,4.373342524552062,4.406495658312146,4.439460477045273,4.47223805042378,4.504829442077629,4.5372357094772084,4.569457904121264,4.601497071589885,4.633354251544511,4.665030477727928,first
+275,6.49,95,1.4565886813513805e+17,1.18,0.16551443847757333,178.5,Branched,Enzyme,0,0.1312173880055062,0.06643075448552023,2.45,1.1225078507099981,0.8389428204434966,0.6987762128074062,0.6115866974928947,0.5503425738585396,0.5043268855594231,0.46861924014891915,0.43937159092610717,0.41487376397558895,0.3940648848384797,0.9,0.9,0.9,0.9,0.9,0.9,0.9,0.9,0.9,0.9,0.9,2.76,3.2024973830966674,3.297019059852168,3.3437412623975313,3.3728044341690353,3.3932191420471534,3.4085577048135254,3.4204602532836934,3.4302094696912975,3.4383754120081367,3.44531170505384,third
+277,1.58,92,1.0394762952459902e+17,2.39,0.8712933659434193,121.5,Ring,Base,1,0.4650492046878649,0.23456115549248738,8.28,7.899170718947932,7.884349771722272,7.883707780362738,7.883610928403825,7.883907120703908,7.883896380665919,7.883882668901076,7.883917750178111,7.883884592942294,7.88376334666897,0.62,0.23917071894793285,0.2243497717222735,0.22370778036273858,0.2236109284038261,0.22390712070390884,0.2238963806659199,0.22388266890107586,0.22391775017811105,0.22388459294229374,0.22376334666897005,3.1,3.4808292810520673,3.4956502282777264,3.4962922196372612,3.4963890715961736,3.496092879296091,3.49610361933408,3.496117331098924,3.496082249821889,3.4961154070577063,3.49623665333103,second
+276,12.7,97,4.903168110728312e+17,0.63,-0.4620354595965587,109.3,Unknown,None,1,0.21477680289156637,0.13984680046236705,3.09,1.4643225978512224,1.437634228265596,1.436125160971167,1.4353156269949239,1.4392023065605846,1.4376640809191552,1.436748197911967,1.436986054489516,1.4386351192670201,1.4377996205936245,2.04,2.04,2.04,2.04,2.04,2.04,2.04,2.04,2.04,2.04,2.04,4.0,4.541892467382927,4.550788590578136,4.551291613009612,4.55156145766836,4.55026589781314,4.550778639693616,4.551083934029345,4.551004648503494,4.550454960244326,4.5507334598021245,third
+272,10.5,94,1.3335693139141264e+17,0.61,-0.4942963218147801,134.2,Branched,None,0,0.11821880318974635,0.08728986481535413,5.89,5.358482489419109,4.874930790673701,4.4349386116486,4.034464888168011,3.6701581653631656,3.3388834813764365,3.0376908974013928,2.7638154976827973,2.514677389516605,2.2878817032499676,1.61,1.61,1.61,1.61,1.61,1.61,1.61,1.61,1.61,1.61,1.61,1.04,1.04,1.04,1.04,1.04,1.04,1.04,1.04,1.04,1.04,1.04,first
+273,6.55,92,3.55484104952782e+17,1.92,0.6523251860396901,22.8,Branched,None,0,0.8857314692092665,0.7377878303049855,7.2,0.48506052462615556,0.34326125562610643,0.2805018697472903,0.24277652041384268,0.21734357534568388,0.19827800978779928,0.1835913701499608,0.17184825495481676,0.1620024411963688,0.15365668408066102,2.55,2.55,2.55,2.55,2.55,2.55,2.55,2.55,2.55,2.55,2.55,4.83,7.068313158457948,7.115579581457964,7.136499376750903,7.149074493195386,7.157552141551438,7.163907330070733,7.168802876616679,7.172717248348394,7.175999186267877,7.178781105306446,third
+279,6.88,100,4.547150192943503e+17,1.39,0.3293037471426003,25.3,Ring,Base,0,0.08609341189265578,0.05890380479886798,4.47,1.4713633904196237,1.070263939098551,0.8819467065845881,0.7680927778375027,0.6885330945920761,0.6301839184559399,0.5842805999137304,0.5469507652405637,0.516050343206542,0.4898450834077001,1.5,1.5,1.5,1.5,1.5,1.5,1.5,1.5,1.5,1.5,1.5,4.8,5.799545536526791,5.933245353633815,5.9960177644718025,6.0339690740541645,6.060488968469307,6.079938693848018,6.0952398000287555,6.107683078253144,6.117983218931151,6.1267183055307655,third
+273,1.62,95,3.480060436038416e+16,2.79,1.0260415958332743,61.6,Branched,Acid,0,0.023122825946718575,0.019863243668594793,2.24,2.198944791345997,2.158642051740302,2.119077989775217,2.080239059929475,2.042111972295345,2.004683693171919,1.9679414173499197,1.931872567627813,1.8964647948118052,1.8617059777158453,3.47,3.47,3.47,3.47,3.47,3.47,3.47,3.47,3.47,3.47,3.47,4.26,4.301055208654003,4.341357948259698,4.380922010224784,4.419760940070526,4.457888027704655,4.495316306828082,4.53205858265008,4.568127432372187,4.603535205188195,4.638294022284155,first
+278,10.57,97,3.104547013191123e+16,2.21,0.7929925155296614,148.3,Branched,Acid,0,0.018432502174118296,0.010452046526900753,7.25,7.235253998260705,7.220507996521411,7.205761994782116,7.1910159930428215,7.176269991303527,7.161523989564232,7.146777987824938,7.132031986085643,7.117285984346348,7.102539982607054,4.47,4.47,4.47,4.47,4.47,4.47,4.47,4.47,4.47,4.47,4.47,3.02,3.0347460017392947,3.0494920034785893,3.064238005217884,3.0789840069571786,3.093730008696473,3.108476010435768,3.1232220121750625,3.137968013914357,3.1527140156536517,3.1674600173929464,zero
+272,5.73,92,1.569450353418336e+17,2.06,0.7227059828014898,112.6,Linear,Base,0,0.33690748062384673,0.28864282654288115,3.54,1.5823299187285271,0.950925286893574,0.643537406900732,0.4643997419347005,0.34772979685776667,0.26779985265740947,0.209633809715096,0.16649016973341357,0.1336834338298469,0.10803634447182904,4.21,2.2523299187285275,1.6209252868935742,1.3135374069007322,1.1343997419347005,1.0177297968577668,0.9377998526574095,0.879633809715096,0.8364901697334136,0.803683433829847,0.7780363444718291,4.4,6.357670081271473,6.989074713106426,7.296462593099268,7.4756002580653,7.592270203142234,7.672200147342591,7.730366190284904,7.773509830266587,7.806316566170154,7.831963655528172,second
+271,11.46,99,3.293095012203592e+17,0.53,-0.6348782724359695,178.0,Unknown,Enzyme,1,0.027219986951078967,0.01491509729063101,3.93,3.4224818937559762,3.0513109582246165,2.7692819972509004,2.551639703258376,2.381805436675017,2.2448414751489456,2.1317227364410694,2.039046225314179,1.9625928661061667,1.8988683694306272,3.49,3.49,3.49,3.49,3.49,3.49,3.49,3.49,3.49,3.49,3.49,3.12,3.3737590531220123,3.5593445208876924,3.7003590013745504,3.8091801483708125,3.894097281662492,3.962579262425528,4.019138631779466,4.0654768873429115,4.103703566946917,4.1355658152846875,second
+279,4.18,92,3.6800788171879686e+17,2.89,1.0612565021243408,173.2,Branched,Base,0,2.192346980657855,1.532529802052442,1.3,-0.45387758452628457,-2.207755169052568,-3.9616327535788525,-5.715510338105136,-7.469387922631421,-9.223265507157707,-10.977143091683992,-12.731020676210282,-14.484898260736566,-16.238775845262857,2.99,2.99,2.99,2.99,2.99,2.99,2.99,2.99,2.99,2.99,2.99,3.24,4.993877584526285,6.747755169052569,8.501632753578853,10.255510338105136,12.009387922631422,13.763265507157708,15.517143091683993,17.271020676210284,19.024898260736567,20.778775845262857,zero
+273,5.05,98,3.24331523037783e+17,4.31,1.4609379041156563,176.1,Linear,Enzyme,0,0.05746660238403852,0.04867297740820681,5.31,5.071408300085657,4.843537156442904,4.625903109552932,4.418044219115971,4.219526046561932,4.02993123030053,3.8488588877114096,3.6759246151441447,3.5107604879182395,3.3530150603231252,4.22,4.22,4.22,4.22,4.22,4.22,4.22,4.22,4.22,4.22,4.22,2.78,3.018591699914343,3.2464628435570955,3.4640968904470673,3.671955780884028,3.8704739534380677,4.06006876969947,4.24114111228859,4.414075384855854,4.57923951208176,4.736984939676875,first
+274,4.15,95,2.5053729067968016e+17,3.82,1.3402504226184837,183.5,Ring,Base,0,0.19394023116300899,0.11356645097443582,3.6,2.719301873742057,2.267147300142924,1.99412109616104,1.8143006995798807,1.6904251713363616,1.6002184895453666,1.5334533155055996,1.4829669652980653,1.443792367037134,1.413234682718692,2.31,1.429301873742057,0.9771473001429237,0.70412109616104,0.5243006995798809,0.4004251713363617,0.3102184895453665,0.24345331550559962,0.1929669652980654,0.1537923670371341,0.12323468271869202,3.45,4.330698126257944,4.782852699857076,5.05587890383896,5.235699300420119,5.359574828663638,5.449781510454634,5.516546684494401,5.567033034701935,5.6062076329628665,5.636765317281308,second
+271,11.02,93,3.704002199281338e+16,2.66,0.9783261227936078,20.3,Unknown,Enzyme,0,0.04390188329798148,0.031313233595334444,7.66,2.099469337796152,1.5125174280623623,1.2436472472546554,1.0804734593610739,0.968522863163128,0.8848478689763112,0.8204384540354219,0.7681685966931459,0.7244464180830954,0.6874318499554096,0.64,0.64,0.64,0.64,0.64,0.64,0.64,0.64,0.64,0.64,0.64,4.55,6.403510220734615,6.599160857312545,6.688784250915114,6.743175513546308,6.780492378945623,6.808384043674562,6.829853848654858,6.847277134435617,6.861851193972301,6.874189383348196,third
+274,8.76,95,4.6657786466585517e+17,4.7,1.547562508716013,191.6,Linear,Enzyme,1,0.3611766483278975,0.2590449264083811,2.39,0.9111909801302491,0.9019774941581775,0.901133954814315,0.9015071093002911,0.9019453065261148,0.902164419469449,0.9016084939002009,0.9018421460461047,0.9022763100787953,0.9022046268680933,4.55,3.8105954900651238,3.805988747079088,3.8055669774071568,3.8057535546501446,3.8059726532630567,3.8060822097347233,3.8058042469500992,3.8059210730230513,3.8061381550393962,3.8061023134340455,3.57,4.309404509934876,4.3140112529209125,4.314433022592843,4.3142464453498555,4.314027346736943,4.313917790265276,4.3141957530498996,4.314078926976948,4.313861844960603,4.313897686565953,third
+272,7.3,100,2.074068951157072e+16,3.62,1.2864740258376797,172.6,Unknown,Enzyme,0,0.0012948451473008872,0.0008389235524324333,5.72,5.5782657650859955,5.447567347953285,5.326541507461358,5.214029736135287,5.10912217113412,5.0110239455956265,4.9190257142091225,4.83250365321547,4.75091946040708,4.6738203551279085,2.18,2.109132882542998,2.043783673976643,1.9832707537306793,1.9270148680676438,1.8745610855670605,1.8255119727978135,1.7795128571045615,1.7362518266077354,1.6954597302035403,1.6569101775639545,2.81,2.880867117457002,2.9462163260233574,3.006729246269321,3.0629851319323564,3.1154389144329397,3.1644880272021867,3.2104871428954387,3.253748173392265,3.29454026979646,3.3330898224360457,third
+277,11.62,95,6.89742494611361e+16,1.96,0.6729444732424258,65.2,Linear,Acid,0,0.0838750408338274,0.06261230804731906,3.04,1.6846690180242858,1.236319592796054,0.998379932764008,0.8461050632932648,0.7387131102729756,0.6578591593207397,0.5952574204394514,0.5444654908037132,0.5022163043040709,0.4666197865568759,2.41,1.7323345090121434,1.5081597963980273,1.3891899663820044,1.3130525316466328,1.259356555136488,1.21892957966037,1.187628710219726,1.1622327454018568,1.1411081521520356,1.1233098932784382,3.54,4.217665490987857,4.441840203601973,4.5608100336179955,4.636947468353367,4.690643444863511,4.73107042033963,4.7623712897802735,4.787767254598142,4.808891847847963,4.8266901067215615,third
+280,11.28,92,3.168161866806417e+17,0.73,-0.31471074483970024,60.2,Unknown,Acid,0,2.174589083882691,1.507309218085043,4.23,0.30922824303186336,0.21911153170729233,0.1788884772000583,0.15497279277348927,0.13861360768728445,0.12662166420303408,0.11716085447199882,0.10958903049836578,0.10337929403599688,0.09809961195197402,3.94,3.94,3.94,3.94,3.94,3.94,3.94,3.94,3.94,3.94,3.94,4.13,5.436923918989379,5.466962822764236,5.4803705075999805,5.488342402408837,5.493795464104239,5.497792778598989,5.500946381842668,5.503470323167212,5.505540235321336,5.507300129349343,third
+279,7.72,100,2.915494862536449e+17,2.15,0.7654678421395714,114.5,Branched,Base,0,0.05520048589131594,0.047942659662242745,2.12,2.0284170182133505,1.9407903921866594,1.8569491141127148,1.776728651139644,1.6999735863907839,1.6265351122079457,1.5562701013210758,1.4890411068482559,1.4247163622957018,1.3631697815577644,1.09,1.09,1.09,1.09,1.09,1.09,1.09,1.09,1.09,1.09,1.09,4.77,4.77,4.77,4.77,4.77,4.77,4.77,4.77,4.77,4.77,4.77,first
+270,11.43,93,4.730449928204779e+17,4.06,1.4011829736136412,82.1,Linear,None,1,0.48119496641733356,0.27405002226816494,6.95,1.8755100462126542,1.8233758790139578,1.8205194876308592,1.8201187128958345,1.8206545735973767,1.8214795068757785,1.8212848803039252,1.8203127002581259,1.8202318221120364,1.820692513136175,3.1,0.5627550231063271,0.5366879395069789,0.5352597438154296,0.5350593564479172,0.5353272867986884,0.5357397534378893,0.5356424401519626,0.5351563501290629,0.5351159110560182,0.5353462565680875,0.55,3.0872449768936727,3.113312060493021,3.11474025618457,3.1149406435520826,3.1146727132013114,3.1142602465621105,3.1143575598480373,3.1148436498709366,3.114884088943982,3.1146537434319126,third
+274,2.36,94,3.0312764243886976e+17,0.83,-0.18632957819149348,158.1,Ring,Base,1,0.36396978460358465,0.2646545066453707,6.3,3.6835435643990557,3.3162588451285804,3.2416846175028566,3.2256228643501106,3.2219301973338195,3.2209171071827463,3.221144694629082,3.220397826893471,3.221152017260177,3.2211246513092266,4.35,1.7335435643990553,1.3662588451285802,1.291684617502857,1.2756228643501106,1.2719301973338195,1.2709171071827463,1.271144694629082,1.2703978268934712,1.2711520172601767,1.2711246513092263,2.55,5.166456435600944,5.533741154871419,5.608315382497143,5.6243771356498895,5.628069802666181,5.629082892817253,5.628855305370918,5.629602173106529,5.628847982739824,5.628875348690774,second
+280,1.12,94,2.290921447154332e+17,3.0,1.0986122886681098,111.5,Branched,Base,1,0.665981234871281,0.43285402054862326,1.54,0.8372781953218866,0.8294763425002488,0.8290806273557848,0.8297488127230149,0.8289312297198179,0.8291960837113778,0.8300803471286397,0.8307684539212105,0.8291361499476715,0.8292984374883878,2.27,1.9186390976609433,1.9147381712501244,1.9145403136778922,1.9148744063615075,1.914465614859909,1.914598041855689,1.9150401735643199,1.9153842269606054,1.9145680749738356,1.914649218744194,1.67,2.021360902339057,2.025261828749876,2.025459686322108,2.025125593638493,2.0255343851400918,2.025401958144312,2.0249598264356807,2.0246157730393954,2.0254319250261648,2.0253507812558067,third
+280,2.8,92,1.1251153920122896e+17,3.92,1.366091653802371,106.6,Branched,Base,1,0.7722659865370499,0.48228231946165434,8.73,7.291103302165332,7.29115694907758,7.290985754702509,7.291072167706127,7.291041842039938,7.290984612310346,7.291032485253171,7.291084513223164,7.29091619139564,7.291047078444846,0.77,0.050551651082665724,0.050578474538790025,0.050492877351254455,0.05053608385306272,0.05052092101996852,0.050492306155172466,0.050516242626585,0.05054225661158138,0.05045809569781993,0.050523539222423385,3.58,4.299448348917334,4.29942152546121,4.2995071226487465,4.299463916146938,4.299479078980032,4.299507693844829,4.299483757373417,4.299457743388421,4.299541904302182,4.299476460777578,third
+271,13.99,94,3.7629061486672294e+17,2.53,0.9282193027394288,72.9,Branched,Base,0,0.2861413297899583,0.16024355514412922,2.36,0.8036969765445681,0.5855709342065148,0.48305754716562016,0.42086694481093656,0.37736816417312985,0.34528204580388555,0.3203391495594394,0.2998957291917812,0.28293872503688977,0.26856541665927974,1.04,1.04,1.04,1.04,1.04,1.04,1.04,1.04,1.04,1.04,1.04,4.16,4.678767674485144,4.751476355264495,4.785647484278127,4.806377685063021,4.820877278608957,4.831572651398705,4.8398869501468536,4.84670142360274,4.852353758321038,4.857144861113574,third
+276,13.98,97,2.6499189956775542e+17,4.91,1.5912739418064292,28.7,Branched,Base,1,0.11607620154160202,0.058775727020560845,4.77,2.7554492536193216,2.1066206363379716,1.8303238465400902,1.6967134601612637,1.6290003385394074,1.5939882962884488,1.5753062046011324,1.565153433700825,1.5603630580438874,1.5573254155266092,3.58,3.58,3.58,3.58,3.58,3.58,3.58,3.58,3.58,3.58,3.58,3.16,4.167275373190339,4.491689681831014,4.629838076729954,4.696643269919368,4.730499830730296,4.748005851855775,4.757346897699433,4.762423283149587,4.764818470978056,4.766337292236695,second
+271,7.82,94,3.403802949427738e+17,3.08,1.1249295969854831,116.4,Ring,Enzyme,0,0.258834173325636,0.13469955785716767,5.72,3.5038684603392634,2.7886181894695348,2.4562654999413454,2.276145675544353,2.171034866010549,2.106322590339852,2.065643874458675,2.039451009472183,2.022532830249053,2.011427970817504,3.73,1.513868460339264,0.7986181894695351,0.4662654999413458,0.2861456755443536,0.18103486601054997,0.11632259033985291,0.07564387445867585,0.04945100947218408,0.03253283024905421,0.021427970817504957,0.17,2.386131539660736,3.1013818105304645,3.433734500058654,3.613854324455646,3.7189651339894496,3.7836774096601467,3.824356125541324,3.8505489905278156,3.8674671697509457,3.8785720291824948,second
+276,2.01,93,4.4084969042575584e+17,3.97,1.3787660946990992,139.3,Unknown,Acid,1,1.1037030415957951,0.7324100336333143,7.87,4.390639176005039,3.5908963489223513,3.4061985383290874,3.363921855949056,3.354042410613173,3.351026910580902,3.3514194296052113,3.3498546541888015,3.3515942360657287,3.3511511861272685,4.66,4.66,4.66,4.66,4.66,4.66,4.66,4.66,4.66,4.66,4.66,0.53,4.009360823994961,4.809103651077649,4.993801461670913,5.036078144050945,5.045957589386828,5.048973089419099,5.0485805703947895,5.050145345811199,5.048405763934272,5.048848813872732,first
+280,10.85,91,3.026822779622088e+17,2.27,0.8197798314933114,180.1,Unknown,None,1,3.1923893882638064,2.4423464208420973,1.04,0.8764066886048205,0.8764947119418838,0.8780040462062454,0.8766712511746495,0.8766417431254631,0.8777060387382049,0.8766410907672136,0.8763360648953045,0.8780341214067572,0.8770301963194119,4.72,4.638203344302411,4.638247355970943,4.639002023103125,4.638335625587329,4.638320871562736,4.638853019369106,4.638320545383612,4.638168032447658,4.639017060703384,4.638515098159711,4.58,4.6617966556975885,4.661752644029057,4.660997976896875,4.661664374412671,4.661679128437264,4.661146980630893,4.6616794546163876,4.661831967552342,4.660982939296616,4.661484901840288,third
+278,7.55,95,3.081202149182729e+17,2.98,1.091923300517313,117.6,Unknown,Base,0,0.4346188861451314,0.2734124578164354,8.38,8.032304891083895,7.684609782167789,7.336914673251684,6.9892195643355794,6.641524455419474,6.293829346503369,5.9461342375872634,5.598439128671158,5.250744019755052,4.903048910838946,2.85,2.85,2.85,2.85,2.85,2.85,2.85,2.85,2.85,2.85,2.85,0.1,0.44769510891610526,0.7953902178322103,1.1430853267483156,1.4907804356644205,1.8384755445805259,2.1861706534966316,2.533865762412736,2.8815608713288423,3.2292559802449476,3.576951089161054,zero
+275,6.65,100,1.1938097698325691e+17,1.1,0.09531017980432493,43.1,Unknown,Acid,1,0.01207353812412739,0.009453855628216367,7.23,5.686406302094958,4.932955838114757,4.474975562194299,4.165723514860414,3.9412504211446406,3.7705069067257737,3.638306036581253,3.5325436650253605,3.446081740353673,3.374896596453918,2.43,1.6582031510474788,1.2814779190573782,1.0524877810971491,0.897861757430207,0.7856252105723204,0.700253453362887,0.6341530182906266,0.5812718325126802,0.5380408701768364,0.5024482982269589,1.1,1.8717968489525214,2.248522080942622,2.477512218902851,2.6321382425697935,2.74437478942768,2.8297465466371134,2.895846981709374,2.94872816748732,2.991959129823164,3.0275517017730413,third
+280,9.4,96,2.7560158819647885e+17,4.24,1.4445632692438664,106.1,Branched,None,1,0.3393246918330347,0.18720223632460606,9.68,7.276077737877286,7.27607622706282,7.276244304795573,7.276037368567818,7.276140905320715,7.276094354273675,7.276139675542244,7.276075583170979,7.276176124023772,7.276125948764783,1.24,0.03803886893864333,0.038038113531410296,0.038122152397786616,0.03801868428390848,0.0380704526603571,0.038047177136837036,0.038069837771121745,0.03803779158548905,0.03808806201188551,0.03806297438239022,2.45,3.651961131061357,3.65196188646859,3.6518778476022136,3.651981315716091,3.6519295473396425,3.6519528228631626,3.651930162228878,3.6519622084145107,3.651911937988114,3.6519370256176087,third
+280,9.19,91,5.261591087892109e+16,3.37,1.2149127443642704,42.7,Branched,Base,1,0.5549399081920274,0.31159897347784316,8.14,5.966646803570667,5.893068562612246,5.889835362681317,5.889544876183466,5.889897887851558,5.890223004243409,5.890123789165927,5.88969228381487,5.889693338333201,5.889766497239839,2.81,0.6366468035706669,0.5630685626122458,0.5598353626813164,0.5595448761834656,0.5598978878515579,0.5602230042434087,0.5601237891659266,0.5596922838148705,0.5596933383332008,0.5597664972398395,3.62,5.793353196429335,5.8669314373877555,5.870164637318685,5.8704551238165354,5.870102112148444,5.869776995756593,5.869876210834074,5.870307716185131,5.870306661666801,5.870233502760162,second
+272,12.88,98,1.3555756048215387e+17,0.72,-0.3285040669720361,83.4,Linear,Enzyme,0,0.020493233814371677,0.017904084846446,1.38,1.3636054129485025,1.3472108258970052,1.3308162388455078,1.3144216517940104,1.2980270647425132,1.2816324776910157,1.2652378906395185,1.248843303588021,1.2324487165365239,1.2160541294850264,3.99,3.99,3.99,3.99,3.99,3.99,3.99,3.99,3.99,3.99,3.99,1.96,1.9763945870514974,1.9927891741029946,2.009183761154492,2.0255783482059893,2.041972935257487,2.058367522308984,2.0747621093604813,2.0911566964119785,2.107551283463476,2.1239458705149734,zero
+275,12.69,91,7.509280624194333e+16,3.26,1.1817271953786161,134.5,Branched,Acid,1,0.3890960435777495,0.21385242589360967,5.77,1.117817631460784,1.095512253774488,1.0951516963289338,1.095295093774183,1.0952767032864117,1.0955674061061098,1.0958969016669935,1.0961923401488067,1.0962356549515837,1.095958756392524,2.17,2.17,2.17,2.17,2.17,2.17,2.17,2.17,2.17,2.17,2.17,0.83,2.3807274561797387,2.3881625820751706,2.3882827678903555,2.3882349687419393,2.3882410989045297,2.38814419796463,2.388034366111002,2.3879358866170644,2.387921448349472,2.3880137478691585,third
+280,2.51,92,1.3897090943392429e+17,1.3,0.26236426446749106,33.5,Ring,Enzyme,1,0.9538799952064675,0.7155670452991589,7.2,2.3262068612796645,2.325416742155034,2.3263809739615473,2.3260879699300157,2.3248503341736115,2.32749945466314,2.324618859445031,2.32361057642705,2.3267904093498757,2.328488865847642,2.23,2.23,2.23,2.23,2.23,2.23,2.23,2.23,2.23,2.23,2.23,4.77,7.206896569360167,7.207291628922483,7.206809513019226,7.206956015034991,7.207574832913193,7.206250272668429,7.207690570277483,7.208194711786474,7.2066047953250605,7.205755567076177,second
+271,10.39,95,4.744514360775272e+17,1.7,0.5306282510621704,118.5,Branched,Acid,1,0.2314697589647934,0.19486123651387421,9.97,3.0589923373865786,2.6874283133784043,2.645138552752352,2.6399004381971354,2.639028270454483,2.6403349862791963,2.6358513558138257,2.644177325195999,2.6389913124791438,2.6404129566461685,2.06,2.06,2.06,2.06,2.06,2.06,2.06,2.06,2.06,2.06,2.06,4.61,8.065503831306712,8.251285843310798,8.272430723623824,8.275049780901433,8.275485864772758,8.274832506860403,8.277074322093087,8.272911337402,8.275504343760428,8.274793521676918,second
+274,4.48,96,1.634589004075119e+17,0.77,-0.2613647641344075,79.3,Unknown,None,0,0.08157551942761308,0.049950117855156614,3.68,3.2312701376720763,2.90872247499785,2.6659543009279476,2.479221445846234,2.3311815719131483,2.209772057767767,2.109867101946007,2.026924112756167,1.9570801651947392,1.8972712825387477,2.23,1.781270137672076,1.4587224749978496,1.2159543009279474,1.0292214458462339,0.8811815719131483,0.7597720577677671,0.659867101946007,0.5769241127561666,0.5070801651947392,0.4472712825387476,2.74,3.188729862327924,3.5112775250021504,3.7540456990720528,3.9407785541537663,4.088818428086852,4.210227942232233,4.310132898053993,4.393075887243834,4.462919834805261,4.522728717461253,second
+279,5.24,97,2.7191217550101693e+17,4.95,1.599387576580599,168.9,Linear,None,1,0.18764731562612683,0.11719403464846131,9.98,8.824318432058918,8.582061651480036,8.525522384126512,8.512062542824854,8.508873671086846,8.507990303683107,8.507820369005113,8.507781400901752,8.507817638581987,8.507779211782225,1.86,0.7043184320589178,0.4620616514800367,0.4055223841265118,0.3920625428248535,0.3888736710868448,0.3879903036831068,0.3878203690051126,0.3877814009017514,0.387817638581986,0.3877792117822257,3.81,4.965681567941083,5.2079383485199635,5.2644776158734885,5.277937457175146,5.281126328913155,5.2820096963168925,5.282179630994887,5.282218599098248,5.2821823614180134,5.282220788217773,second
+271,10.79,96,4.392409055006733e+17,4.14,1.4206957878372228,198.2,Ring,None,0,0.137483494233771,0.1064431889812153,1.55,0.8755743666832696,0.6252270163411798,0.4914901235450886,0.40630701265638375,0.34763733924742257,0.30409546982679314,0.270422341999933,0.24390879105762173,0.22227718773921734,0.2041002121417272,2.49,2.152787183341635,2.0276135081705906,1.9607450617725448,1.9181535063281925,1.888818669623712,1.8670477349133972,1.850211170999967,1.8369543955288115,1.8261385938696093,1.8170501060708641,3.93,4.267212816658365,4.39238649182941,4.459254938227455,4.501846493671808,4.531181330376289,4.552952265086604,4.569788829000034,4.58304560447119,4.593861406130392,4.602949893929137,third
+271,12.42,100,4.3283985173967194e+17,1.07,0.06765864847381486,141.1,Linear,Acid,1,0.02295388389427372,0.01623286369500163,6.74,6.729400930827809,6.720176965180508,6.712140136552834,6.705121377109409,6.699008872449871,6.693699247438289,6.689093192468187,6.685095463462534,6.681614881873749,6.678564334683701,0.14,0.1294009308278085,0.12017696518050837,0.11214013655283421,0.10512137710940939,0.09900887244987058,0.09369924743828961,0.08909319246818746,0.08509546346253427,0.08161488187374935,0.07856433468370111,0.46,0.4705990691721915,0.4798230348194917,0.4878598634471658,0.49487862289059065,0.5009911275501294,0.5063007525617105,0.5109068075318126,0.5149045365374657,0.5183851181262507,0.5214356653162989,second
+272,10.37,92,2.4647324396881574e+17,4.34,1.4678743481123135,135.8,Linear,Acid,1,0.5290940199915105,0.3519728727502659,9.25,8.27241536356225,8.255231659438914,8.254735923084917,8.254519340679533,8.254581816672795,8.254790387629672,8.2551449283496,8.25535628730029,8.254935532564156,8.254930791674415,1.38,0.4024153635622508,0.38523165943891596,0.38473592308491744,0.3845193406795331,0.38458181667279434,0.38479038762967144,0.3851449283495981,0.3853562873002874,0.38493553256415364,0.38493079167441363,3.78,4.757584636437749,4.774768340561083,4.775264076915081,4.775480659320466,4.775418183327204,4.775209612370327,4.774855071650401,4.774643712699712,4.775064467435846,4.775069208325586,second
+280,3.5,96,8.73986559003217e+16,3.86,1.3506671834767394,147.2,Unknown,Acid,0,0.1076064988379374,0.08021917639029998,8.54,6.8753126708401675,6.1031093519062685,5.689062614153834,5.450571801363847,5.305833582178873,5.216611003798682,5.160155925576351,5.124456983556686,5.101479622929011,5.086799309461472,3.48,1.8153126708401686,1.0431093519062702,0.6290626141538362,0.3905718013638494,0.2458335821788744,0.15661100379868373,0.10015592557635325,0.064456983556689,0.04147962292901339,0.02679930946147436,2.12,3.7846873291598317,4.55689064809373,4.970937385846164,5.209428198636151,5.3541664178211255,5.443388996201317,5.499844074423647,5.535543016443312,5.5585203770709875,5.573200690538527,second
+280,13.0,99,3.003894551737581e+16,3.81,1.3376291891386096,92.0,Unknown,Base,1,0.010193923267646893,0.00615558775746128,8.23,7.988671876812797,7.770500507155849,7.572491663126766,7.392161769538042,7.22761667892609,7.077141993647311,6.9391862948431795,6.8123611424402375,6.695441075150099,6.587363610469447,4.01,3.7686718768127956,3.550500507155848,3.3524916631267643,3.172161769538041,3.0076166789260883,2.8571419936473097,2.719186294843178,2.592361142440236,2.4754410751500977,2.3673636104694458,3.07,3.311328123187204,3.5294994928441517,3.7275083368732354,3.9078382304619588,4.072383321073912,4.22285800635269,4.360813705156822,4.487638857559763,4.6045589248499015,4.712636389530553,second
+271,12.62,95,8.876302575052069e+16,4.97,1.6034198401085373,146.2,Unknown,None,1,0.04330465588916773,0.034001316368034676,8.43,7.467560547453009,6.832211712053416,6.391724753409749,6.08008720919957,5.850743242805478,5.680389264678842,5.553632946322036,5.457212382446879,5.383310808551629,5.32671927344249,4.56,3.597560547453009,2.9622117120534166,2.5217247534097487,2.2100872091995702,1.980743242805479,1.8103892646788422,1.6836329463220365,1.587212382446879,1.513310808551629,1.4567192734424894,4.96,5.922439452546991,6.5577882879465825,6.99827524659025,7.309912790800428,7.53925675719452,7.7096107353211565,7.836367053677963,7.93278761755312,8.00668919144837,8.06328072655751,second
+273,6.05,98,2.981410659094647e+17,1.41,0.34358970439007686,84.7,Branched,Acid,0,0.05282605257885063,0.037077403434248056,3.83,3.671513437290735,3.5195851161756235,3.3739433697885333,3.2343266308379524,3.1004873577838055,2.9721877009754896,2.8491985719287154,2.7312996433255012,2.6182793490141774,2.509934884009384,3.0,3.0,3.0,3.0,3.0,3.0,3.0,3.0,3.0,3.0,3.0,4.39,4.5484865627092645,4.700414883824377,4.846056630211466,4.985673369162047,5.119512642216194,5.24781229902451,5.370801428071284,5.4887003566744985,5.601720650985822,5.710065115990616,first
+271,1.6,99,3.4857013298067974e+17,2.44,0.8919980393051105,138.8,Unknown,Acid,1,0.028812027700716017,0.01636533958000655,6.42,5.368606106041204,4.96889492995212,4.77616630045465,4.672918797492328,4.615260557734294,4.581862661863194,4.5623936625451815,4.550833714108795,4.544050320446699,4.539957847481843,1.01,0.4843030530206024,0.28444746497606066,0.1880831502273257,0.13645939874616433,0.10763027886714698,0.09093133093159714,0.08119683127259131,0.0754168570543981,0.07202516022334973,0.06997892374092209,1.48,2.0056969469793975,2.2055525350239398,2.3019168497726747,2.353540601253836,2.382369721132853,2.399068669068403,2.408803168727409,2.4145831429456024,2.4179748397766505,2.4200210762590784,third
+275,12.29,93,1.6750439195345248e+17,1.97,0.6780335427498971,116.3,Linear,Enzyme,0,0.3618950707216228,0.30356676605830357,9.24,0.7578416580069425,0.5365036454480789,0.4383995777187138,0.37994035573292334,0.33974255479283816,0.31014514492120826,0.28735870555224036,0.2687490697870285,0.25333123577146116,0.24029452527362166,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.33,5.157386113997687,5.231165451517308,5.263866807427096,5.283353214755692,5.296752481735721,5.306618285026264,5.3142137648159204,5.320416976737658,5.325556254742846,5.329901824908793,third
+276,3.68,99,7.0341993316258424e+16,1.96,0.6729444732424258,70.1,Branched,Enzyme,1,0.012888420755896135,0.006550103831538205,1.75,1.5271629083358902,1.36553307442128,1.242646492115571,1.147288264772998,1.0723324930495406,1.0114113480240106,0.9603851490095695,0.9179975387829897,0.882498427742055,0.8524687272999492,4.68,4.568581454167945,4.487766537210639,4.426323246057785,4.378644132386499,4.34116624652477,4.310705674012005,4.2851925745047845,4.2639987693914945,4.246249213871027,4.231234363649975,2.96,3.071418545832055,3.15223346278936,3.2136767539422144,3.2613558676135006,3.2988337534752294,3.329294325987995,3.354807425495215,3.376001230608505,3.3937507861289724,3.4087656363500254,third
+275,6.34,92,3.469056823410023e+17,0.67,-0.40047756659712525,27.8,Branched,Acid,0,1.1606970707909883,0.6796746311821,4.73,0.4850374785777458,0.255571835472836,0.17350634987735988,0.13131025154406742,0.10574604279930128,0.08836384134428328,0.07597967516176785,0.06664427971412444,0.05930442616411723,0.053422738860715455,2.51,2.51,2.51,2.51,2.51,2.51,2.51,2.51,2.51,2.51,2.51,0.84,2.9624812607111273,3.0772140822635823,3.1182468250613202,3.139344874227967,3.1521269786003496,3.160818079327859,3.1670101624191167,3.171677860142938,3.175347786917942,3.1782886305696425,second
+280,2.01,98,7.570567283100171e+16,4.48,1.4996230464268938,39.7,Branched,Base,0,0.03947699840252727,0.0312981750137518,6.74,6.530466144922903,6.327446305371243,6.1307374843455404,5.940143363692588,5.75547478277714,5.576547899238232,5.403184155381422,5.23521027817879,5.0724582792689406,4.914765454957004,1.44,1.44,1.44,1.44,1.44,1.44,1.44,1.44,1.44,1.44,1.44,1.58,1.7895338550770983,1.992553694628758,2.18926251565446,2.379856636307413,2.5645252172228608,2.7434521007617683,2.9168158446185792,3.084789721821211,3.2475417207310597,3.405234545042997,first
+276,1.38,98,3.156940051070972e+17,3.94,1.3711807233098425,126.3,Unknown,Base,0,0.08943636650514038,0.04829564051060899,9.21,8.57405442597349,7.98202114581388,7.430850436578883,6.917672210735272,6.439934254245953,5.995235053309688,5.581302315401729,5.195992969273815,4.837293164954172,4.503318273747511,1.32,1.32,1.32,1.32,1.32,1.32,1.32,1.32,1.32,1.32,1.32,1.76,1.76,1.76,1.76,1.76,1.76,1.76,1.76,1.76,1.76,1.76,first
+279,9.95,97,1.3767545386366802e+17,0.61,-0.4942963218147801,131.7,Linear,Acid,0,0.09501019694143617,0.059730551334232045,9.55,1.4673380317778677,1.0428843876767906,0.8533573596483418,0.7399819491059584,0.6620317121738905,0.6044602544469181,0.5601624080138966,0.5239981952639131,0.4939877949384546,0.4686058254872997,0.27,0.27,0.27,0.27,0.27,0.27,0.27,0.27,0.27,0.27,0.27,3.99,6.6842206560740465,6.825705204107738,6.888880880117221,6.926672683631349,6.9526560959420385,6.971846581851029,6.986612530662036,6.998667268245365,7.008670735020517,7.017131391504235,third
+272,2.44,99,1.975114168692146e+17,0.55,-0.5978370007556204,32.1,Ring,Enzyme,0,0.01918814101230839,0.014199895516050897,4.58,2.6807043604650693,2.0805305134139096,1.759964626972826,1.5537846549914964,1.4054111143313452,1.292792725647624,1.2045007175072935,1.1316352704533619,1.0702783465901875,1.0179303549245229,3.93,3.93,3.93,3.93,3.93,3.93,3.93,3.93,3.93,3.93,3.93,1.18,1.8130985465116436,2.013156495528697,2.1200117910090577,2.1887384483361676,2.238196295222885,2.2757357581174587,2.3051664274975687,2.3294549098488795,2.349907217803271,2.3673565483584924,third
+273,10.15,93,4.333869619828181e+17,2.25,0.8109302162163288,36.3,Unknown,None,0,0.6950485508386276,0.47226238748946126,3.88,3.3239611593290976,2.7679223186581954,2.2118834779872936,1.6558446373163918,1.0998057966454895,0.5437669559745868,-0.01227188469631546,-0.5683107253672177,-1.1243495660381209,-1.6803884067090218,3.44,3.44,3.44,3.44,3.44,3.44,3.44,3.44,3.44,3.44,3.44,4.33,4.886038840670903,5.4420776813418055,5.998116522012707,6.554155362683609,7.110194203354512,7.6662330440254145,8.222271884696315,8.778310725367218,9.33434956603812,9.890388406709022,zero
+278,5.2,93,1.3533078580988714e+17,4.34,1.4678743481123135,67.9,Ring,Enzyme,0,0.45351050912173935,0.4047788436399044,2.52,0.6556776468302893,0.47158621836183806,0.38737715650733745,0.33665586412257587,0.3015067832038917,0.27554813341583456,0.2554993771322719,0.23909110495381916,0.22547737663057976,0.21395192198136515,3.73,3.73,3.73,3.73,3.73,3.73,3.73,3.73,3.73,3.73,3.73,4.4,5.021440784389904,5.082804593879388,5.110874281164221,5.127781378625809,5.139497738932037,5.148150622194723,5.15483354095591,5.1603029650153935,5.164840874456473,5.168682692672879,third
+270,13.82,97,6.631786210214314e+16,3.81,1.3376291891386096,56.3,Linear,Base,0,0.011354674148268625,0.007381162076367352,7.46,3.720469561678268,2.810969508412928,2.3526190427203697,2.0618000954260847,1.8598516139823873,1.7055470669605308,1.584796621107342,1.4874903758806468,1.405635335006469,1.335562722319876,3.95,3.95,3.95,3.95,3.95,3.95,3.95,3.95,3.95,3.95,3.95,1.99,3.2365101461072445,3.5396768305290247,3.6924603190932106,3.7893999681913058,3.856716128672538,3.9081509776798233,3.948401126297553,3.980836541373118,4.008121554997843,4.031479092560041,third
+270,4.33,94,3.2727020428080646e+17,3.92,1.366091653802371,64.9,Branched,None,1,0.2132340111490998,0.11870827145416638,4.41,1.5067151508471721,1.3800681157339658,1.3654502585282848,1.3636877365430318,1.3631631208826755,1.3623990008889024,1.3638560260260972,1.3625105658836982,1.3643842547987803,1.3633622174964692,3.34,1.8883575754235855,1.8250340578669826,1.8177251292641423,1.8168438682715158,1.8165815604413376,1.8161995004444509,1.8169280130130483,1.816255282941849,1.81719212739939,1.8166811087482346,4.54,5.991642424576414,6.054965942133017,6.062274870735858,6.063156131728484,6.063418439558663,6.0638004995555495,6.063071986986952,6.063744717058151,6.06280787260061,6.0633188912517655,third
+277,10.61,99,4.785578384471426e+17,3.13,1.1410330045520618,87.0,Ring,None,0,0.10246183325366787,0.08048018313976259,4.07,3.2709072709849862,2.7699479466926267,2.426003379006317,2.177800548840167,1.9882016516572272,1.8408607788586044,1.723470150391783,1.6269776895115036,1.5469074300720593,1.4796563302824726,3.1,2.300907270984986,1.7999479466926265,1.4560033790063167,1.2078005488401669,1.018201651657227,0.8708607788586042,0.7534701503917829,0.6569776895115034,0.5769074300720591,0.5096563302824725,4.22,5.019092729015014,5.520052053307374,5.863996620993683,6.112199451159833,6.301798348342774,6.4491392211413965,6.566529849608218,6.663022310488497,6.743092569927941,6.810343669717528,second
+279,7.58,98,1.3352603965751712e+17,3.14,1.144222799920162,94.2,Branched,Enzyme,1,0.05987588916573636,0.0348544979558229,5.88,5.32237923632109,5.212679639251148,5.187021182187537,5.180841162312781,5.179366151383465,5.178956713566195,5.178855063724664,5.1788552219330075,5.17885957730884,5.1788437856242,0.45,0.17118961816054495,0.11633981962557359,0.10351059109376815,0.1004205811563905,0.09968307569173249,0.09947835678309729,0.09942753186233179,0.0994276109665037,0.09942978865441988,0.0994218928120997,4.23,4.508810381839456,4.563660180374427,4.576489408906232,4.57957941884361,4.580316924308268,4.580521643216904,4.580572468137669,4.580572389033497,4.58057021134558,4.5805781071879,third
+280,8.86,99,1.734501425918595e+17,1.64,0.494696241836107,27.4,Linear,Base,1,0.05886150175681306,0.04527308955782107,7.28,1.9998642474376327,1.6451266268469835,1.5415343492790055,1.5048189754496113,1.4913780398909977,1.486589499772989,1.4843692982774803,1.4836893378156382,1.4836387157703388,1.483372638370493,4.96,4.96,4.96,4.96,4.96,4.96,4.96,4.96,4.96,4.96,4.96,2.31,4.070045250854124,4.188291124384339,4.2228218835736655,4.235060341516797,4.2395406533696685,4.241136833409004,4.241876900574174,4.242103554061455,4.242120428076555,4.24220912054317,third
+272,10.57,93,1.828299357303413e+17,0.76,-0.2744368457017603,107.7,Linear,Enzyme,1,0.252211174709285,0.179717347198627,2.38,2.49919709577293,2.583454758303823,2.643319275504873,2.686251018658263,2.715867616092224,2.7360062962935277,2.7508545172737184,2.7617000710891615,2.769272716857878,2.774600413765229,1.2,1.2,1.2,1.2,1.2,1.2,1.2,1.2,1.2,1.2,1.2,4.32,4.20080290422707,4.116545241696177,4.056680724495126,4.013748981341737,3.9841323839077756,3.963993703706472,3.9491454827262813,3.9382999289108382,3.930727283142122,3.9253995862347706,first
+278,12.39,93,4.9239377154686784e+17,4.42,1.4861396960896067,157.0,Branched,Enzyme,0,1.650073548943207,1.3568585803166253,7.11,0.3607295253304279,0.1851847336576196,0.12454137078039927,0.09385174424018361,0.07520493410777504,0.06284580291540875,0.05389901758460328,0.04719566949248129,0.04202240119024607,0.037834965809118666,4.84,4.84,4.84,4.84,4.84,4.84,4.84,4.84,4.84,4.84,4.84,1.7,5.074635237334786,5.16240763317119,5.192729314609801,5.208074127879909,5.217397532946113,5.223577098542296,5.228050491207699,5.23140216525376,5.2339887994048775,5.236082517095441,second
+273,5.89,96,3.800764731427222e+17,1.24,0.2151113796169455,61.5,Branched,Acid,0,0.1625483342320057,0.08314666748680066,2.57,2.2566170185555916,1.9814495060747346,1.7395136390539605,1.5267164303787712,1.3400133778198169,1.1764999763360846,1.033405252384669,0.9080917639207708,0.7980556003976982,0.7009608071744331,4.21,4.21,4.21,4.21,4.21,4.21,4.21,4.21,4.21,4.21,4.21,3.34,3.653382981444408,3.928550493925265,4.17048636094604,4.383283569621228,4.569986622180183,4.733500023663915,4.87659474761533,5.001908236079229,5.111944399602302,5.209039192825567,first
+275,5.48,98,3.1354910688551046e+17,0.82,-0.19845093872383832,195.2,Linear,Enzyme,1,0.0760513641622968,0.06763895787159906,5.5,5.388357494433375,5.28883942587044,5.200126730152276,5.120979692301572,5.050404446916297,4.987537025422857,4.931565678546628,4.881730876311955,4.837325308042155,4.79769388235952,4.38,4.38,4.38,4.38,4.38,4.38,4.38,4.38,4.38,4.38,4.38,4.0,4.111642505566625,4.21116057412956,4.299873269847724,4.379020307698428,4.449595553083703,4.512462974577143,4.568434321453372,4.618269123688045,4.662674691957845,4.70230611764048,first
+270,10.76,98,3.013488709342344e+17,3.55,1.2669476034873244,101.3,Branched,Enzyme,1,0.033047994514396065,0.025051373112186453,6.28,5.8325584680002125,5.482256227727934,5.2030494224812065,4.978082535493502,4.793845227094845,4.6405985827617915,4.5128646295973684,4.406020518146884,4.316032032149502,4.23946529792983,3.11,2.6625584680002117,2.3122562277279335,2.033049422481206,1.8080825354935006,1.6238452270948442,1.4705985827617907,1.3428646295973672,1.2360205181468835,1.1460320321495006,1.0694652979298294,0.41,0.8574415319997883,1.207743772272066,1.4869505775187934,1.711917464506499,1.8961547729051553,2.049401417238209,2.1771353704026324,2.283979481853116,2.373967967850499,2.4505347020701698,second
+271,13.24,96,3.541245653923689e+17,2.69,0.9895411936137477,166.8,Branched,None,0,0.11084186840172103,0.07186618408274742,1.51,1.381867785609583,1.2646085830657772,1.1572868946190669,1.0590381509037303,0.9691309885559961,0.8868809054587452,0.8116434960728957,0.7428144514374018,0.6798295591692557,0.6221647034634856,0.25,0.25,0.25,0.25,0.25,0.25,0.25,0.25,0.25,0.25,0.25,2.53,2.53,2.53,2.53,2.53,2.53,2.53,2.53,2.53,2.53,2.53,first
+279,8.25,92,1.6678107794982182e+17,3.02,1.1052568313867783,128.6,Linear,Acid,1,0.9935710913755634,0.7710039897273744,3.03,1.462776794870358,1.4637989747772986,1.465467258282647,1.4642680852961842,1.4626758949389733,1.4631103607011353,1.4648367180688409,1.4652310838033584,1.463699345056983,1.4642435005171994,4.11,4.11,4.11,4.11,4.11,4.11,4.11,4.11,4.11,4.11,4.11,3.52,4.042407735043214,4.042067008407567,4.0415109139057845,4.041910638234604,4.042441368353675,4.042296546432955,4.041721093977054,4.041589638732214,4.0421002183143395,4.041918833160935,third
+279,11.11,100,2.5938369182578384e+17,1.64,0.494696241836107,27.0,Linear,None,1,0.049110379184856535,0.02668689772980885,8.06,5.12284889433358,3.8705677712340796,3.209988950420794,2.8255035885034423,2.5810730239362525,2.4241812835768934,2.31792748618638,2.2454135116453595,2.1967524394477067,2.1623792851059673,4.77,4.77,4.77,4.77,4.77,4.77,4.77,4.77,4.77,4.77,4.77,4.98,6.44857555283321,7.07471611438296,7.405005524789604,7.597248205748279,7.719463488031875,7.797909358211554,7.851036256906811,7.887293244177322,7.911623780276148,7.928810357447017,second
+273,3.47,96,2.1323466425316973e+17,2.52,0.9242589015233319,147.8,Linear,Acid,0,0.0911946461412734,0.06830084283384062,3.0,2.78892596803886,2.592700899340152,2.4102462811275034,2.2406158593281797,2.0829379008333193,1.936384824264071,1.8001731999715962,1.6735637500370693,1.5558613482716754,1.4464150202166122,2.77,2.77,2.77,2.77,2.77,2.77,2.77,2.77,2.77,2.77,2.77,0.58,0.7910740319611399,0.9872991006598483,1.1697537188724971,1.3393841406718205,1.497062099166681,1.6436151757359294,1.7798268000284039,1.906436249962931,2.024138651728325,2.133584979783388,first
+279,7.16,100,3.498545190665789e+16,1.96,0.6729444732424258,139.7,Ring,None,1,0.0066239662061851326,0.004422674545085557,2.53,2.527466392707136,2.524955077041958,2.5224658568920506,2.5199985378518908,2.517552927216899,2.5151288339817284,2.512726068830844,2.510344444123739,2.5079837738560347,2.5056438736554956,4.48,4.48,4.48,4.48,4.48,4.48,4.48,4.48,4.48,4.48,4.48,3.07,3.0725336072928635,3.0750449229580417,3.077534143107949,3.080001462148109,3.0824470727831006,3.0848711660182713,3.0872739311691557,3.0896555558762606,3.092016226143965,3.094356126344504,first
+280,1.81,90,2.0936691441343923e+17,4.03,1.3937663759585917,182.1,Unknown,Enzyme,0,3.393094387366164,1.878833093077513,7.95,0.5269032668096275,0.03498197007366678,0.0023251920345298193,0.00015478090306245596,1.0506916498325434e-05,6.135508158696201e-07,-1.3172430676650846e-07,-2.6883667346225374e-07,8.836776440638124e-07,2.276075602853646e-07,0.54,0.54,0.54,0.54,0.54,0.54,0.54,0.54,0.54,0.54,0.54,0.13,7.553096733190372,8.045018029926332,8.077674807965469,8.079845219096935,8.079989493083499,8.079999386449183,8.080000131724304,8.080000268836672,8.079999116322355,8.079999772392439,first
+273,7.54,94,1.3628148284117606e+17,1.93,0.6575200029167941,199.4,Ring,None,0,0.14068038964175555,0.07296929097450025,1.38,0.9174319284766048,0.7329148432058148,0.627905696242102,0.5586124868638893,0.5075677681266725,0.46879113500110015,0.43765907045919467,0.41182530309284143,0.390109991214746,0.371498210757574,1.62,1.62,1.62,1.62,1.62,1.62,1.62,1.62,1.62,1.62,1.62,2.09,2.2441893571744647,2.305695052264728,2.3406981012526322,2.3637958377120363,2.3808107439577753,2.393736288332966,2.404113643180268,2.412724898969052,2.4199633362617505,2.426167263080808,third
+279,4.77,92,3.001468521536712e+17,4.83,1.5748464676644813,61.4,Unknown,Acid,1,1.7880759564162627,1.390902789908772,1.03,1.117845966499935,1.1178554893135042,1.117663344222186,1.116474789319779,1.1173607970901607,1.1186682253837625,1.1176925044279453,1.1171485167192017,1.1179042329543787,1.1175464682762397,3.43,3.43,3.43,3.43,3.43,3.43,3.43,3.43,3.43,3.43,3.43,1.65,1.6060770167500324,1.6060722553432478,1.606168327888907,1.6067626053401105,1.6063196014549197,1.6056658873081187,1.6061537477860273,1.6064257416403993,1.6060478835228107,1.6062267658618803,second
+275,1.23,95,3.479055694362812e+17,1.8,0.5877866649021191,178.5,Unknown,Base,0,0.31341215731295663,0.20811062423699506,2.35,0.7713703779039368,0.5611303960578522,0.4623219585568767,0.4024503174289948,0.36090907502416325,0.3303587915459015,0.3061414475812069,0.28661034237761357,0.2704990969583605,0.25681066741964564,3.91,3.91,3.91,3.91,3.91,3.91,3.91,3.91,3.91,3.91,3.91,0.62,1.1462098740320212,1.2162898679807161,1.2492260138143747,1.2691832275236687,1.2830303083252792,1.2932137361513665,1.301286184139598,1.3077965525407957,1.3131669676805466,1.3177297775267849,third
+280,10.05,92,4.567882979295891e+17,0.51,-0.6733445532637656,138.0,Unknown,None,1,3.1353412107201963,1.6345108141617435,5.69,1.2120869079497079,1.211786223431143,1.2107205311277778,1.210214340355158,1.2108350444408087,1.2119306636836589,1.212547029210452,1.2122849894075505,1.2116218082910815,1.2118169514487689,3.23,0.9910434539748542,0.9908931117155717,0.9903602655638891,0.9901071701775792,0.9904175222204046,0.9909653318418297,0.9912735146052263,0.9911424947037755,0.990810904145541,0.9909084757243847,0.55,2.788956546025146,2.789106888284428,2.7896397344361104,2.7898928298224197,2.7895824777795952,2.78903466815817,2.7887264853947733,2.7888575052962237,2.789189095854458,2.7890915242756145,third
+276,11.11,96,4.236137333194881e+17,4.01,1.3887912413184778,109.7,Ring,Enzyme,0,0.2869084889499131,0.25172842332086753,1.37,1.0890189598673374,0.8656790249838109,0.6876861548165593,0.546295413863104,0.4345489566640541,0.3460137096863496,0.275100989137336,0.21862471385277776,0.1738314532940355,0.13824018261775403,2.77,2.77,2.77,2.77,2.77,2.77,2.77,2.77,2.77,2.77,2.77,3.27,3.27,3.27,3.27,3.27,3.27,3.27,3.27,3.27,3.27,3.27,first
+273,12.23,99,2.5203733829317744e+17,2.54,0.9321640810304452,122.1,Ring,Base,1,0.028744096074780012,0.02017266880930921,9.08,6.478719354502626,5.096011873340611,4.247554799876548,3.6807534809465206,3.287831250308618,3.001129895999931,2.7855938808041913,2.623303947018378,2.4981634714498377,2.398974025665657,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,2.14,3.4406403227486875,4.131994063329695,4.5562226000617265,4.83962325952674,5.036084374845691,5.179435052000034,5.287203059597904,5.3683480264908106,5.430918264275081,5.480512987167171,second
+280,6.33,95,3.512515770258997e+16,1.88,0.6312717768418578,135.3,Unknown,Acid,1,0.06645245861761642,0.03623195567693132,5.36,1.7955064301438157,1.4356895777666765,1.3119323911936172,1.259285397160416,1.235438741810756,1.2244434623304106,1.2190719842415436,1.2163452910244203,1.2155016911227525,1.2147580773479134,3.31,3.31,3.31,3.31,3.31,3.31,3.31,3.31,3.31,3.31,3.31,1.9,3.088164523285395,3.2081034740777747,3.249355869602128,3.266904867613195,3.2748537527297485,3.2785188458898635,3.280309338586153,3.281218236325194,3.2814994362924166,3.281747307550696,third
+278,5.95,96,1.2742277742295944e+17,1.82,0.598836501088704,141.4,Linear,Base,1,0.11660959708053543,0.060832383473491985,6.72,1.672394619269682,1.5399047357979412,1.522805485428762,1.5206186031805342,1.520442187322092,1.5193293648978934,1.5211557647948692,1.5189829940274753,1.5215805428985678,1.5203798498483414,3.61,3.61,3.61,3.61,3.61,3.61,3.61,3.61,3.61,3.61,3.61,5.0,6.682535126910106,6.726698421400687,6.732398171523746,6.733127132273155,6.733185937559303,6.733556878367368,6.7329480784017095,6.733672335324174,6.732806485700476,6.733206716717219,third
+276,5.26,90,1.1657734046678448e+17,1.74,0.5538851132264376,175.1,Ring,Acid,0,1.0788577230808596,0.8120252983737222,2.97,0.48650705360656077,0.26473156611436205,0.18191897788866196,0.1386877684238998,0.11187210370172249,0.09392242630790894,0.08078898894774451,0.070943854616135,0.0632823639802426,0.05705243484857606,1.5,1.5,1.5,1.5,1.5,1.5,1.5,1.5,1.5,1.5,1.5,3.7,4.941746473196719,5.052634216942819,5.094040511055669,5.11565611578805,5.129063948149139,5.138038786846045,5.144605505526128,5.149528072691933,5.153358818009878,5.156473782575712,second
+280,5.61,97,1.7093131963769043e+17,4.88,1.5851452198650557,136.0,Unknown,Acid,0,0.13696082692446918,0.09414975256127514,5.85,2.5699123127117245,1.6466542515263616,1.2105264499634212,0.9574120892132415,0.7920655713405444,0.6753987261017385,0.5882115958708998,0.5216367689232414,0.4684324530522636,0.42482404124454276,3.76,3.76,3.76,3.76,3.76,3.76,3.76,3.76,3.76,3.76,3.76,1.76,3.4000438436441383,3.8616728742368194,4.07973677501829,4.206293955393379,4.288967214329728,4.347300636949131,4.39089420206455,4.424181615538379,4.450783773473868,4.472587979377729,second
+278,9.13,91,3.111735374754462e+17,2.22,0.7975071958841882,186.4,Unknown,None,0,2.4773978605391704,1.7593378574924878,7.57,5.588081711568663,3.6061634231373274,1.6242451347059892,-0.35767315372534636,-2.3395914421566815,-4.321509730588022,-6.3034280190193615,-8.285346307450698,-10.267264595882036,-12.249182884313374,2.8,2.8,2.8,2.8,2.8,2.8,2.8,2.8,2.8,2.8,2.8,1.81,3.791918288431337,5.7738365768626725,7.75575486529401,9.737673153725346,11.71959144215668,13.701509730588022,15.683428019019361,17.665346307450697,19.647264595882035,21.629182884313373,zero
+275,2.73,100,6.3685497652803064e+16,4.98,1.6054298910365616,30.4,Unknown,Enzyme,1,0.006440802406676419,0.005051433250561159,6.7,6.686624777294183,6.673800117315634,6.661501730159942,6.649706455515049,6.638392338462606,6.627538622051749,6.617125433128154,6.607133775835346,6.597545531614689,6.588343459205394,0.7,0.6866247772941831,0.6738001173156332,0.661501730159942,0.6497064555150488,0.6383923384626061,0.6275386220517488,0.6171254331281548,0.6071337758353461,0.5975455316146889,0.5883434592053935,2.6,2.613375222705817,2.626199882684367,2.638498269840058,2.6502935444849514,2.6616076615373943,2.6724613779482516,2.6828745668718454,2.692866224164654,2.7024544683853113,2.711656540794607,second
+275,1.57,92,2.7614025938983133e+17,3.39,1.220829921392359,39.6,Unknown,Base,0,0.9239260309555265,0.48277548745614823,7.84,3.259771209379691,3.070825064080793,3.0521752943492135,3.0502284290153985,3.0500240425714193,3.0500025051079027,3.0500002604888703,3.049999814836119,3.0500001567542756,3.050000098263907,4.79,0.2097712093796919,0.020825064080793324,0.002175294349213955,0.000228429015398647,2.4042571419386307e-05,2.505107902982088e-06,2.604888708582423e-07,-1.851638802384765e-07,1.567542761637385e-07,9.826390779289133e-08,2.56,7.140228790620309,7.329174935919209,7.347824705650789,7.349771570984603,7.349975957428583,7.3499974948921,7.349999739511132,7.350000185163882,7.349999843245726,7.349999901736094,second
+274,11.05,90,7.391692066511114e+16,3.68,1.3029127521808397,83.5,Branched,Enzyme,0,0.5137604708002023,0.4442722537716023,6.91,4.580785579510561,3.036991304354927,2.011452753696804,1.336439278069725,0.8854599723511198,0.5875235358093633,0.38977044820259094,0.2583056703356386,0.17156182558492536,0.11374290892387741,1.81,1.81,1.81,1.81,1.81,1.81,1.81,1.81,1.81,1.81,1.81,0.11,0.11,0.11,0.11,0.11,0.11,0.11,0.11,0.11,0.11,0.11,first
+274,5.28,98,9.691277771429046e+16,4.95,1.599387576580599,107.5,Branched,Acid,0,0.020102209793545794,0.015262521725429561,8.64,8.502164813021329,8.366528531351213,8.233056071764945,8.101712890890571,7.9724650493030484,7.84527913933616,7.720122266654316,7.596962050252553,7.475766622456528,7.35650462892253,1.14,1.14,1.14,1.14,1.14,1.14,1.14,1.14,1.14,1.14,1.14,2.86,2.99783518697867,3.133471468648787,3.2669439282350545,3.3982871091094298,3.5275349506969524,3.6547208606638404,3.7798777333456837,3.9030379497474477,4.024233377543472,4.143495371077471,first
+272,6.94,93,2.1601276669669027e+17,1.84,0.6097655716208943,187.0,Branched,Acid,1,0.2979863960633317,0.17493257490482556,7.7,2.166884613342491,1.8040456318687885,1.7494393909294403,1.7404679986253713,1.739118122202007,1.739251011323414,1.7379539322319755,1.7397537297019796,1.7388046574609561,1.7393894964403878,0.15,0.15,0.15,0.15,0.15,0.15,0.15,0.15,0.15,0.15,0.15,2.17,4.936557693328754,5.117977184065606,5.14528030453528,5.149766000687314,5.1504409388989965,5.150374494338292,5.151023033884012,5.15012313514901,5.150597671269521,5.150305251779805,second
+270,13.54,97,2.5769713615835053e+17,3.32,1.199964782928397,157.6,Ring,Acid,0,0.04412185370983971,0.028656970835003858,1.47,1.4347025170321281,1.3994050340642563,1.3641075510963845,1.3288100681285129,1.293512585160641,1.2582151021927692,1.2229176192248974,1.1876201362570256,1.1523226532891537,1.117025170321282,2.02,2.02,2.02,2.02,2.02,2.02,2.02,2.02,2.02,2.02,2.02,3.48,3.515297482967872,3.5505949659357436,3.5858924489036155,3.6211899318714873,3.656487414839359,3.691784897807231,3.727082380775103,3.7623798637429746,3.7976773467108464,3.8329748296787183,zero
+278,6.06,98,4.087707208767283e+17,4.91,1.5912739418064292,97.2,Unknown,None,1,0.15745797400115732,0.08126467950944324,5.38,4.836465422796798,4.387338248808821,4.0155781391323275,3.7088036919547784,3.456254995552632,3.248059588558353,3.0753995542079724,2.9324725581520945,2.8144695093283048,2.716996814390506,0.57,0.57,0.57,0.57,0.57,0.57,0.57,0.57,0.57,0.57,0.57,1.24,1.7835345772032023,2.2326617511911793,2.604421860867673,2.9111963080452226,3.1637450044473687,3.3719404114416474,3.5446004457920277,3.6875274418479056,3.8055304906716954,3.903003185609494,first
+273,11.4,96,1.159113019534091e+17,1.99,0.688134638736401,75.7,Unknown,Acid,0,0.049572100307599516,0.04271181971755759,6.85,1.9680893128108967,1.4205748594819627,1.1689575136298593,1.0154425046459123,0.9108627060644235,0.8321409235926653,0.7713727054634512,0.722552127426196,0.681510058453662,0.6467111197403074,3.78,3.78,3.78,3.78,3.78,3.78,3.78,3.78,3.78,3.78,3.78,2.51,4.137303562396367,4.319808380172678,4.403680828790046,4.454852498451362,4.489712431311857,4.51595302546911,4.5362090981788485,4.552482624191267,4.566163313848778,4.577762960086562,third
+272,10.36,97,2.290042592947822e+17,4.75,1.55814461804655,94.4,Ring,Base,1,0.05387364547625747,0.04547131764844162,1.77,1.623784821787428,1.5174562474553686,1.438239827984844,1.3786727434197308,1.3341950814312407,1.3003967908425702,1.2735990468758511,1.2527820491181012,1.2366935208927405,1.224163583203204,3.01,3.01,3.01,3.01,3.01,3.01,3.01,3.01,3.01,3.01,3.01,1.35,1.423107589106286,1.476271876272316,1.515880086007578,1.5456636282901346,1.5679024592843798,1.584801604578715,1.5982004765620745,1.6086089754409496,1.61665323955363,1.6229182083983982,second
+270,8.8,97,4.8761910818276154e+17,2.23,0.8020015854720274,126.4,Linear,None,0,0.08348815698185297,0.06878403452579199,8.0,7.483128935744875,6.999648959332698,6.5473458878045125,6.124245317832482,5.72851138886473,5.358397402809926,5.012245824037283,4.688488279376558,4.3856455581180525,4.10232761201261,1.34,1.34,1.34,1.34,1.34,1.34,1.34,1.34,1.34,1.34,1.34,1.36,1.8768710642551247,2.360351040667301,2.812654112195487,3.2357546821675176,3.6314886111352696,4.0016025971900735,4.3477541759627165,4.6715117206234416,4.974354441881947,5.257672387987389,first
+272,13.21,98,2.1991939450250518e+17,0.71,-0.342490308946776,56.4,Branched,Enzyme,1,0.03324683297504613,0.02773037084288921,9.21,6.35286199746265,4.964660103696849,4.165977672698931,3.663605532665325,3.3354060926716933,3.1066820227166687,2.9478456719991684,2.834893514582943,2.7518307969792595,2.6912819060416386,0.36,0.36,0.36,0.36,0.36,0.36,0.36,0.36,0.36,0.36,0.36,4.26,5.688569001268675,6.382669948151576,6.782011163650535,7.033197233667337,7.197296953664154,7.311658988641666,7.391077164000416,7.447553242708528,7.48908460151037,7.51935904697918,second
+280,8.67,100,7.405249367768848e+16,1.02,0.01980262729617973,176.4,Ring,Acid,1,0.016354502641818182,0.012291303420166415,9.25,7.508178510650224,6.350924349865041,5.5292393196437155,4.927305499061028,4.463401884014226,4.098074846255404,3.808635904009562,3.5748766785646557,3.3809328300032524,3.2197101490040487,1.06,1.06,1.06,1.06,1.06,1.06,1.06,1.06,1.06,1.06,1.06,3.3,4.170910744674887,4.749537825067479,5.1603803401781425,5.461347250469486,5.693299057992886,5.875962576872298,6.020682047995218,6.1375616607176715,6.234533584998373,6.315144925497975,second
+272,13.72,97,4.2554625134287155e+17,1.18,0.16551443847757333,148.6,Ring,None,0,0.10011048680577345,0.06573388598159904,8.46,7.808873997220841,7.20782914628408,6.652849328828586,6.140548355693197,5.667780635391156,5.231563479659092,4.829077103457006,4.457664624968279,4.114832065599667,3.7982483499813027,3.13,3.13,3.13,3.13,3.13,3.13,3.13,3.13,3.13,3.13,3.13,0.95,1.6011260027791596,2.2021708537159204,2.7571506711714138,3.269451644306804,3.742219364608844,4.178436520340908,4.580922896542994,4.952335375031721,5.295167934400333,5.6117516500186975,first
+275,3.1,98,3.0063603404658324e+16,4.52,1.5085119938441398,119.5,Branched,None,0,0.0072919297180246345,0.005774306941412749,2.01,1.963943839261503,1.9199510522548024,1.8778858714829354,1.8376233251016987,1.7990513973569853,1.762066605364317,1.7265726098649121,1.692480215225685,1.6597073694392475,1.6281791641239063,4.84,4.84,4.84,4.84,4.84,4.84,4.84,4.84,4.84,4.84,4.84,0.66,0.6830280803692484,0.7050244738725987,0.7260570642585322,0.7461883374491506,0.7654743013215073,0.7839666973178414,0.8017136950675439,0.8187598923871573,0.8351463152803762,0.8509104179380468,second
+276,6.31,93,3.924046098284695e+17,0.93,-0.07257069283483537,28.9,Unknown,Enzyme,1,0.9824168436766358,0.4951958472354177,6.31,2.010053976269531,2.0120305357571753,2.009912846737216,2.0102145883768703,2.0100624268482803,2.010057402394804,2.0109062232352346,2.00961590250517,2.0108755010138943,2.0104517966735305,2.93,0.7800269881347659,0.7810152678785881,0.7799564233686082,0.7801072941884356,0.7800312134241406,0.7800287011974024,0.7804531116176177,0.7798079512525851,0.7804377505069473,0.7802258983367656,4.1,6.249973011865236,6.248984732121413,6.250043576631394,6.2498927058115665,6.249968786575861,6.2499712988026,6.249546888382384,6.250192048747417,6.249562249493056,6.249774101663236,third
+274,9.56,94,8.310901464242592e+16,3.95,1.3737155789130306,48.8,Unknown,Enzyme,1,0.09979020690638639,0.05931768287473419,9.19,3.8940676648404855,2.6732485889815605,2.1953934707187672,1.9722643698455897,1.8578116807961744,1.7988805935986296,1.7660402246065392,1.7492749855498178,1.7395245207579861,1.7341815206670088,1.45,1.45,1.45,1.45,1.45,1.45,1.45,1.45,1.45,1.45,1.45,1.29,3.937966167579757,4.548375705509219,4.787303264640616,4.898867815077204,4.956094159601912,4.985559703200685,5.00197988769673,5.01036250722509,5.015237739621006,5.017909239666495,second
+279,13.06,98,1.0135706417280573e+17,2.05,0.7178397931503168,133.0,Branched,Enzyme,1,0.04545064285693944,0.03334394943770559,5.44,2.1975701254007505,1.8277636507225585,1.7124567780314708,1.6701806326152009,1.6536387159282266,1.6466064380609162,1.6441477602335173,1.643055577836484,1.642450257762233,1.642421559463703,1.9,1.9,1.9,1.9,1.9,1.9,1.9,1.9,1.9,1.9,1.9,4.77,5.850809958199751,5.974078783092481,6.012514407322843,6.0266064557949335,6.032120428023925,6.034464520646361,6.035284079922161,6.035648140721173,6.0358499140792565,6.035859480178766,third
+279,1.84,100,4.736797410092014e+17,0.7,-0.35667494393873245,106.3,Branched,Enzyme,1,0.08968409513104987,0.04691834625886132,6.96,6.50651314104859,6.099903205522495,5.735090102391217,5.408052979437189,5.115099505726192,4.852761034749452,4.617792604423642,4.407172937090876,4.218111470395079,4.048471528954768,4.93,4.93,4.93,4.93,4.93,4.93,4.93,4.93,4.93,4.93,4.93,0.55,1.00348685895141,1.4100967944775047,1.774909897608783,2.1019470205628115,2.394900494273808,2.6572389652505475,2.8922073955763583,3.102827062909124,3.291888529604922,3.4615284710452325,first
+277,10.33,100,3.475862336833712e+17,1.69,0.5247285289349821,166.6,Branched,Base,1,0.048207070138157594,0.040901889512968435,8.65,4.147596509148445,3.46563312009056,3.2084713392596056,3.0907692304169747,3.0316830117585924,3.0016773688785485,2.985607426039562,2.9775632678268584,2.9729261815071735,2.9705405461148393,3.4,1.148798254574222,0.8078165600452794,0.6792356696298022,0.6203846152084869,0.5908415058792957,0.5758386844392737,0.5678037130197806,0.5637816339134285,0.5614630907535861,0.5602702730574188,2.96,5.211201745425777,5.55218343995472,5.680764330370197,5.739615384791512,5.7691584941207035,5.784161315560725,5.792196286980219,5.7962183660865705,5.798536909246413,5.79972972694258,third
+271,5.52,98,1.1218395412879549e+17,4.81,1.5706970841176697,20.6,Unknown,Base,0,0.014453369500947482,0.012483639152022104,3.59,3.015309482072471,2.6370847659128303,2.3626272188989885,2.1545398770062585,1.987792461375923,1.850156262700693,1.73530264159815,1.6377360118919913,1.5529749062759095,1.478028305203376,2.45,2.162654741036236,1.9735423829564154,1.8363136094494945,1.7322699385031295,1.6488962306879618,1.5800781313503467,1.5226513207990753,1.4738680059459959,1.4314874531379551,1.3940141526016883,1.29,1.5773452589637644,1.7664576170435848,1.9036863905505057,2.0077300614968707,2.0911037693120385,2.1599218686496533,2.2173486792009247,2.266131994054004,2.3085125468620453,2.3459858473983117,third
+275,2.02,99,2.4512370201766483e+17,1.97,0.6780335427498971,89.1,Linear,Base,1,0.03839155842826825,0.022148246944126256,8.4,7.470797393440036,7.336106641714541,7.3119077198604785,7.307433749860105,7.306597894044203,7.3064331869597945,7.30640332064716,7.306410792904179,7.306398321826543,7.306405943209341,0.57,0.1053986967200183,0.03805332085727031,0.025953859930239045,0.023716874930052513,0.023298947022101585,0.02321659347989752,0.023201660323579853,0.023205396452089425,0.023199160913270976,0.02320297160467018,1.6,2.0646013032799817,2.1319466791427293,2.1440461400697606,2.1462831250699472,2.1467010529778983,2.1467834065201026,2.14679833967642,2.14679460354791,2.1468008390867284,2.1467970283953295,third
+278,1.5,91,2.3765829952628214e+17,0.55,-0.5978370007556204,130.7,Linear,Base,1,1.8921087170924589,1.1742986109764522,7.41,1.4915882533239062,1.4905476521772587,1.4919682707013748,1.4914441833684464,1.490300969565415,1.492664087256495,1.4910184587186295,1.490521037037341,1.4931271738081828,1.4917815029475332,2.31,2.31,2.31,2.31,2.31,2.31,2.31,2.31,2.31,2.31,2.31,3.37,5.342803915558701,5.343150782607583,5.342677243099544,5.342851938877187,5.343233010144865,5.34244530424784,5.342993847093795,5.3431596543208935,5.342290942063946,5.342739499017495,third
+277,12.21,94,1.4144860683139867e+17,3.86,1.3506671834767394,118.1,Ring,Acid,0,0.2655363332185754,0.1691887108180024,6.74,1.7504689205734096,1.0049699490529937,0.705269508861151,0.5432882837353243,0.44142993665687214,0.3721229496384726,0.32151292078062865,0.2828055986664502,0.2527063245087026,0.22841419931657142,1.78,1.78,1.78,1.78,1.78,1.78,1.78,1.78,1.78,1.78,1.78,3.6,6.094765539713295,6.467515025473503,6.617365245569424,6.698355858132337,6.749285031671564,6.783938525180763,6.809243539609685,6.828597200666774,6.8436468377456485,6.855792900341714,second
+272,2.49,99,2.599644424242626e+17,4.17,1.4279160358107101,85.9,Ring,Acid,1,0.025255422995248508,0.012871178833468708,2.61,1.8530526691755695,1.4925679362163702,1.281773973259384,1.1469726501708006,1.0575256128496031,0.9938843581375308,0.9486150927123778,0.9160569268248566,0.8915717148965975,0.8732823842232823,4.58,4.201526334587785,4.021283968108185,3.915886986629692,3.8484863250854007,3.803762806424802,3.7719421790687657,3.749307546356189,3.7330284634124284,3.720785857448299,3.7116411921116415,3.92,4.2984736654122155,4.478716031891815,4.584113013370308,4.6515136749146,4.6962371935751985,4.728057820931235,4.750692453643811,4.766971536587572,4.779214142551702,4.788358807888359,third
+276,1.39,98,4.278721591580072e+17,4.34,1.4678743481123135,127.2,Unknown,None,0,0.12121652810866437,0.10194293758933541,7.01,5.714192992743019,5.0859559018622615,4.736665272276122,4.528557099756828,4.3992924544481165,4.31698881408465,4.263635868877267,4.228671075799316,4.205693845257738,4.1904150814596735,2.85,1.5541929927430194,0.9259559018622628,0.5766652722761232,0.3685570997568293,0.2392924544481178,0.15698881408465096,0.1036358688772682,0.06867107579931728,0.04569384525773899,0.03041508145967403,4.41,5.705807007256981,6.334044098137738,6.683334727723878,6.891442900243172,7.0207075455518835,7.10301118591535,7.156364131122733,7.191328924200684,7.214306154742262,7.2295849185403265,second
+270,11.9,92,1.8557686302352266e+17,4.61,1.5282278570085572,198.2,Unknown,None,1,0.29472099312944694,0.2145612094729032,1.21,1.3126334779073592,1.3153612996408657,1.3158884877946484,1.3151906159593372,1.3144896391703453,1.3139273954310333,1.3148516195569175,1.3159825960416287,1.3164125010878616,1.3149072139640086,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,3.16,3.1257888406975476,3.1248795667863787,3.124703837401784,3.1249364613468877,3.1251701202765516,3.125357534856322,3.125049460147694,3.124672467986124,3.1245291663040464,3.125030928678664,third
+278,8.95,95,9.224695067987064e+16,2.72,1.000631880307906,167.7,Ring,Base,1,0.13011891143008741,0.06942278717161288,2.19,1.9905894962979391,1.8205471418496701,1.6754434752877527,1.5518598609299432,1.4467133028097212,1.357186209276662,1.2807377792368089,1.2154755246308486,1.159853675072705,1.1124413662239623,3.73,3.73,3.73,3.73,3.73,3.73,3.73,3.73,3.73,3.73,3.73,0.22,0.4194105037020608,0.5894528581503298,0.7345565247122474,0.8581401390700569,0.9632866971902787,1.052813790723338,1.1292622207631913,1.1945244753691515,1.250146324927295,1.2975586337760379,first
+280,8.59,98,4.230910399949689e+17,3.48,1.247032293786383,72.8,Ring,Enzyme,0,0.2206223613822149,0.16633047075765633,9.06,8.883502110894229,8.707004221788457,8.530506332682686,8.354008443576914,8.177510554471143,8.001012665365371,7.824514776259599,7.648016887153827,7.471518998048055,7.295021108942283,0.41,0.41,0.41,0.41,0.41,0.41,0.41,0.41,0.41,0.41,0.41,2.57,2.746497889105772,2.922995778211544,3.0994936673173155,3.2759915564230875,3.452489445528859,3.6289873346346315,3.805485223740403,3.981983112846175,4.158481001951946,4.334978891057719,zero
+276,13.11,94,4.860540129111436e+17,4.2,1.4350845252893227,159.2,Linear,Enzyme,1,0.7870158065047798,0.4003092703282373,6.95,4.576612151453387,3.6582494123346154,3.3023525341178193,3.164647604566034,3.1123198976971698,3.091135572858597,3.083482385399377,3.0799858203720447,3.07948878629941,3.0786990447649694,0.99,0.99,0.99,0.99,0.99,0.99,0.99,0.99,0.99,0.99,0.99,2.18,4.553387848546613,5.471750587665385,5.827647465882181,5.965352395433966,6.017680102302831,6.038864427141403,6.046517614600623,6.050014179627955,6.05051121370059,6.051300955235031,first
+271,10.3,91,3.01533461291867e+17,3.24,1.1755733298042381,84.1,Ring,Base,1,0.8682741054569453,0.5890555892707827,2.13,1.1440749883038972,1.0955997260863688,1.0929044054183945,1.0926988417661625,1.0917537700055966,1.0925204888481734,1.092928262246728,1.0931313639328681,1.0931657996940047,1.0926840019545385,3.29,2.304074988303897,2.255599726086369,2.252904405418395,2.252698841766163,2.251753770005597,2.2525204888481745,2.252928262246729,2.2531313639328694,2.2531657996940058,2.2526840019545395,2.59,3.575925011696103,3.624400273913631,3.627095594581605,3.627301158233837,3.628246229994403,3.6274795111518254,3.627071737753271,3.6268686360671305,3.626834200305994,3.6273159980454603,second
+278,1.66,95,1.6818912611011638e+17,1.76,0.5653138090500605,109.6,Ring,None,0,0.23723912652433624,0.18231977550504386,1.91,1.2872221243858482,0.9476689927513156,0.7337247046795091,0.5867501160696824,0.48110939835115896,0.40125771718569575,0.33886409549146235,0.2895002525914926,0.24950743509149417,0.21631514345665917,2.43,1.8072221243858484,1.4676689927513158,1.2537247046795095,1.1067501160696827,1.0011093983511592,0.9212577171856958,0.8588640954914624,0.8095002525914927,0.7695074350914942,0.7363151434566593,1.1,1.7227778756141519,2.0623310072486842,2.2762752953204908,2.4232498839303176,2.528890601648841,2.6087422828143043,2.671135904508538,2.7204997474085078,2.760492564908506,2.793684856543341,second
+274,5.76,92,4.350923997350958e+17,4.36,1.472472057360943,166.0,Unknown,Enzyme,1,1.2569262665805603,1.0231723728561282,8.84,7.391818635459539,7.391701521467473,7.391375294586114,7.391760430869225,7.391428064568848,7.391725497747818,7.391528995131657,7.391649062357448,7.391626336311307,7.39167399744378,1.63,0.18181863545953975,0.1817015214674738,0.18137529458611473,0.1817604308692256,0.18142806456884855,0.18172549774781802,0.18152899513165685,0.18164906235744785,0.18162633631130673,0.18167399744377946,0.2,1.6481813645404604,1.648298478532526,1.6486247054138852,1.6482395691307743,1.6485719354311512,1.6482745022521819,1.648471004868343,1.648350937642552,1.6483736636886932,1.6483260025562203,second
+279,11.01,99,4.814482353854095e+17,1.23,0.20701416938432612,49.8,Ring,None,0,0.1402839264942369,0.08616621240039228,7.07,6.319456486633134,5.648590110156994,5.048302192669545,4.511280827650214,4.031533632219208,3.6033643873800183,3.221373038019418,2.880455692907465,2.5758046246974957,2.3029082699261343,4.85,4.85,4.85,4.85,4.85,4.85,4.85,4.85,4.85,4.85,4.85,3.82,4.570543513366865,5.241409889843006,5.841697807330456,6.378719172349786,6.858466367780792,7.286635612619982,7.668626961980582,8.009544307092536,8.314195375302505,8.587091730073865,first
+270,8.95,98,4.724819219316462e+16,2.07,0.7275486072772777,91.8,Unknown,Base,0,0.005181562458070747,0.0031294999694747613,2.13,2.1258547500335436,2.121709500067087,2.11756425010063,2.1134190001341735,2.1092737501677172,2.1051285002012605,2.1009832502348043,2.0968380002683475,2.092692750301891,2.088547500335434,1.34,1.34,1.34,1.34,1.34,1.34,1.34,1.34,1.34,1.34,1.34,4.84,4.844145249966457,4.848290499932913,4.852435749899369,4.856580999865826,4.8607262498322825,4.864871499798739,4.869016749765196,4.873161999731653,4.8773072496981085,4.881452499664565,zero
+277,10.48,97,4.1751663261388986e+17,2.91,1.0681530811834012,175.2,Branched,Acid,1,0.2130396822756957,0.1799942090702111,6.8,2.6568299145168077,2.223697038371975,2.1436442750681386,2.1276963291658952,2.124871083295485,2.1238576896265005,2.1235114407927753,2.1233504539803527,2.1246291860242033,2.1239101416756125,4.44,4.44,4.44,4.44,4.44,4.44,4.44,4.44,4.44,4.44,4.44,3.0,5.071585042741596,5.288151480814012,5.32817786246593,5.336151835417052,5.337564458352256,5.338071155186749,5.338244279603611,5.338324773009822,5.337685406987897,5.3380449291621925,second
+270,6.12,96,2.241136314963527e+17,4.76,1.5602476682433286,171.8,Linear,Enzyme,1,0.059907479523596735,0.031335130697246805,6.26,6.036669223306597,5.829059719796554,5.63605437750278,5.4566100968197,5.289802328300964,5.134758497431186,4.990653360058026,4.856709002392192,4.732194841007431,4.616427622840542,0.45,0.45,0.45,0.45,0.45,0.45,0.45,0.45,0.45,0.45,0.45,2.73,2.953330776693402,3.160940280203446,3.3539456224972195,3.5333899031802987,3.7001976716990352,3.8552415025688136,3.999346639941973,4.1332909976078085,4.257805158992568,4.373572377159459,first
+280,2.4,96,3.995633074834239e+17,2.53,0.9282193027394288,149.7,Unknown,None,1,0.49194816715984774,0.3733635630397981,9.37,5.778628573166625,5.6283783212239555,5.618760774416942,5.6182020534602355,5.617923446408146,5.617908870167489,5.618721794855163,5.618619363582922,5.617628575921134,5.618460919248846,4.36,0.7686285731666258,0.6183783212239566,0.6087607744169431,0.608202053460237,0.6079234464081482,0.6079088701674902,0.608721794855164,0.6086193635829233,0.607628575921135,0.608460919248847,0.75,4.341371426833374,4.491621678776043,4.501239225583056,4.501797946539763,4.502076553591852,4.502091129832509,4.5012782051448355,4.5013806364170765,4.502371424078865,4.501539080751153,second
+273,4.9,95,2.1434406561806454e+17,1.98,0.6830968447064438,93.0,Linear,Base,0,0.1424182313236074,0.08447447633468398,4.95,2.329104135776203,1.523450408526329,1.131165512643912,0.9002859672347749,0.747288824104354,0.6393342870196675,0.5578244024705533,0.4952541404979278,0.4455355933550931,0.40448764861626074,2.95,2.95,2.95,2.95,2.95,2.95,2.95,2.95,2.95,2.95,2.95,0.62,1.9304479321118986,2.3332747957368354,2.529417243678044,2.6448570163826126,2.721355587947823,2.775332856490166,2.8160877987647233,2.847372929751036,2.8722322033224534,2.8927561756918694,second
+279,1.93,93,3.4774342101937456e+16,4.87,1.5830939370944985,148.8,Unknown,None,0,0.1346118828720757,0.0807604502463999,5.97,5.862310493702339,5.754620987404679,5.646931481107019,5.539241974809358,5.431552468511697,5.3238629622140365,5.216173455916376,5.108483949618716,5.000794443321055,4.893104937023395,0.14,0.14,0.14,0.14,0.14,0.14,0.14,0.14,0.14,0.14,0.14,2.18,2.287689506297661,2.3953790125953214,2.5030685188929818,2.6107580251906426,2.718447531488303,2.826137037785964,2.933826544083624,3.0415160503812846,3.1492055566789454,3.256895062976606,zero
+279,4.73,92,2.106031652171494e+17,1.07,0.06765864847381486,72.5,Unknown,Acid,1,1.2546340345330211,0.8966174406700849,5.89,1.5193376866496158,1.5160905588838238,1.5191572870532104,1.5165317529195181,1.518693421049051,1.5161501913684365,1.51810800198131,1.5175054250786768,1.5171973964195717,1.518326166504897,0.46,0.46,0.46,0.46,0.46,0.46,0.46,0.46,0.46,0.46,0.46,3.43,4.886887437783461,4.887969813705391,4.886947570982262,4.887822749026826,4.887102192983648,4.887949936210521,4.887297332672897,4.887498191640441,4.887600867860143,4.887224611165034,third
+277,5.24,91,4.73891140514408e+17,1.14,0.131028262406404,45.0,Branched,Acid,0,3.2729730097075405,2.178282347785555,9.84,0.7180110245965162,0.05248760948100958,0.0038428448550208703,0.0002805786532272877,2.0609820694860133e-05,1.4897820539971792e-06,-1.5145383737338217e-08,-2.028588452416701e-07,6.627964634981085e-07,1.2657471513851409e-07,2.95,2.95,2.95,2.95,2.95,2.95,2.95,2.95,2.95,2.95,2.95,2.42,11.541988975403486,12.20751239051899,12.256157155144981,12.259719421346775,12.259979390179309,12.25999851021795,12.260000015145385,12.260000202858846,12.259999337203539,12.259999873425286,first
+271,8.8,98,2.1217640417990035e+17,4.68,1.5432981099295553,172.2,Linear,Enzyme,1,0.027336030297824235,0.014494355554512327,4.76,2.449700043680634,1.915918100811154,1.6695492787453168,1.5289497400221035,1.442876169547875,1.3852150678861221,1.3470649914708832,1.3205607431716606,1.301582654545291,1.2881777072675278,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,2.55,3.3200999854397883,3.498027299729615,3.5801502404182277,3.6270167533259654,3.6557079434840416,3.674928310704626,3.687645002843039,3.696479752276113,3.702805781818236,3.7072740975774905,third
+272,4.76,90,2.92314588739789e+17,2.37,0.8628899551470398,190.7,Unknown,None,1,1.51951737202558,0.9294671978599598,9.81,1.3447078617414836,1.3458358734479094,1.3452313449025477,1.3435930052083878,1.3427215523196394,1.3427608739911971,1.3433901978860445,1.3442356627781558,1.344814048142328,1.3445304299271044,3.3,3.3,3.3,3.3,3.3,3.3,3.3,3.3,3.3,3.3,3.3,1.14,3.961764046086172,3.9613880421840304,3.961589551699151,3.9621356649305377,3.9624261492267867,3.962413042002934,3.9622032673713177,3.9619214457406136,3.961728650619223,3.9618231900242966,third
+273,9.18,99,3.7686266735589075e+17,1.24,0.2151113796169455,56.1,Linear,Enzyme,0,0.04298004728519551,0.032861024081050245,9.91,9.875615962171844,9.841231924343688,9.806847886515532,9.772463848687375,9.738079810859219,9.703695773031061,9.669311735202905,9.63492769737475,9.600543659546592,9.566159621718436,4.35,4.35,4.35,4.35,4.35,4.35,4.35,4.35,4.35,4.35,4.35,2.67,2.7043840378281563,2.7387680756563126,2.7731521134844694,2.8075361513126253,2.8419201891407817,2.8763042269689385,2.910688264797095,2.945072302625251,2.9794563404534076,3.0138403782815644,zero
+270,5.93,94,3.620867761615753e+17,2.82,1.0367368849500223,93.2,Linear,Base,1,0.23591886659725186,0.17656732193998223,3.11,1.1657504366098133,1.0907044360398017,1.0820114225166184,1.0810582848869967,1.0807235657287082,1.0799133566936192,1.0814143459430723,1.0801976118696013,1.0816708529447643,1.0808912621541846,1.51,1.51,1.51,1.51,1.51,1.51,1.51,1.51,1.51,1.51,1.51,1.01,1.6580831877967286,1.6830985213200658,1.6859961924944602,1.6863139050376674,1.6864254780904302,1.686695547768793,1.6861952180189754,1.686600796043466,1.6861097156850782,1.686369579281938,third
+277,6.17,96,2.2604625468962266e+17,1.64,0.494696241836107,177.0,Branched,Acid,1,0.1780588477188282,0.10652337354284733,9.4,1.5666082129730552,1.515515249282059,1.5134165065179,1.5133316548974356,1.5111593200395996,1.5127486641381862,1.5128121764567204,1.5124536100018071,1.5128037733995419,1.514800821035809,4.31,4.31,4.31,4.31,4.31,4.31,4.31,4.31,4.31,4.31,4.31,3.16,5.771130595675649,5.788161583572647,5.788861164494034,5.788889448367522,5.789613559986801,5.789083778620606,5.789062607847761,5.789182129999399,5.789065408866821,5.788399726321399,third
+277,9.33,98,8.374720740656654e+16,4.42,1.4861396960896067,189.1,Ring,None,1,0.027680730079010236,0.01886224623089457,4.38,4.225419645228997,4.0922141143407424,3.976521664004108,3.87549742482299,3.7873148142020656,3.7102602551710695,3.6427193275995475,3.58317676819686,3.5302164705121806,3.482615964722927,1.96,1.8054196452289968,1.6722141143407425,1.5565216640041082,1.4554974248229897,1.367314814202066,1.2902602551710696,1.2227193275995474,1.1631767681968601,1.1102164705121806,1.062615964722927,1.55,1.7045803547710032,1.8377858856592577,1.9534783359958916,2.05450257517701,2.142685185797934,2.21973974482893,2.287280672400452,2.34682323180314,2.399783529487819,2.447384035277073,second
+271,10.89,95,4.7829342984858944e+17,0.79,-0.23572233352106983,25.4,Branched,Base,0,0.23334414547626497,0.16564800384483758,3.34,2.2123502100167762,1.6877911148989282,1.386108975556308,1.1921067359202662,1.0557097222546794,0.9560083576261833,0.8799671534194005,0.8198486317805381,0.771673618758921,0.7322627964814107,2.87,1.7423502100167767,1.2177911148989287,0.9161089755563084,0.7221067359202664,0.5857097222546798,0.48600835762618355,0.40996715341940076,0.3498486317805384,0.3016736187589213,0.26226279648141093,1.96,3.0876497899832236,3.6122088851010714,3.9138910244436915,4.107893264079734,4.24429027774532,4.343991642373817,4.4200328465806,4.480151368219462,4.5283263812410794,4.56773720351859,second
+270,7.5,96,3.8348628457443475e+17,0.87,-0.13926206733350766,149.6,Branched,Enzyme,0,0.10250914496960004,0.06736553772416211,5.13,2.8003786119126626,1.9206155609366353,1.462047686941418,1.17950285224598,0.9894020144267603,0.8516881854854704,0.7471659559301254,0.6663000585243684,0.60111223221471,0.5471665170230852,3.74,3.74,3.74,3.74,3.74,3.74,3.74,3.74,3.74,3.74,3.74,4.88,6.044810694043668,6.4846922195316825,6.713976156529291,6.85524857387701,6.95029899278662,7.0191559072572645,7.071417022034938,7.111849970737816,7.144443883892645,7.171416741488458,second
+279,2.74,91,1.5837275100220515e+17,2.29,0.8285518175661483,48.2,Linear,Enzyme,0,1.4519789656338546,0.8039853021016867,8.04,0.3790590465497812,0.2682210720424471,0.2189857052728699,0.18981269314350555,0.1696511063206359,0.15497057372809464,0.14348320357392788,0.13417401393704503,0.12649160283673386,0.1199906945563802,3.81,3.81,3.81,3.81,3.81,3.81,3.81,3.81,3.81,3.81,3.81,3.99,6.543646984483407,6.5805929759858515,6.597004764909044,6.606729102285499,6.613449631226455,6.618343142090636,6.622172265475358,6.6252753286876525,6.627836132387756,6.63000310181454,third
+270,3.6,97,1.470326572791963e+17,3.46,1.2412685890696329,188.4,Unknown,Base,1,0.025174332519765873,0.015510896039636787,9.75,9.540917153576274,9.374582946106546,9.240986331158247,9.133435493940368,9.047037343073846,8.977291386391368,8.920121698097686,8.873163523895844,8.834801212487971,8.803396910292795,1.39,1.1809171535762728,1.0145829461065454,0.8809863311582469,0.773435493940368,0.6870373430738456,0.6172913863913674,0.560121698097685,0.5131635238958433,0.4748012124879696,0.44339691029279543,3.1,3.3090828464237267,3.4754170538934543,3.6090136688417527,3.7165645060596315,3.802962656926154,3.872708613608632,3.9298783019023147,3.976836476104156,4.01519878751203,4.0466030897072045,second
+272,6.31,93,3.570732471452545e+17,3.57,1.2725655957915476,137.1,Branched,Enzyme,1,0.4925772289970676,0.4335469357722765,3.4,3.1056543209107375,2.9699946845509113,2.902450013719683,2.8708803285918774,2.8551379502000693,2.848688608277505,2.8445689850145297,2.8431022408740727,2.8426739422520715,2.84208696721443,2.02,2.02,2.02,2.02,2.02,2.02,2.02,2.02,2.02,2.02,2.02,2.67,2.9643456790892624,3.1000053154490885,3.1675499862803167,3.1991196714081225,3.2148620497999305,3.221311391722495,3.22543101498547,3.226897759125927,3.2273260577479284,3.22791303278557,first
+280,3.45,98,4.8665247493165856e+17,1.75,0.5596157879354227,105.3,Branched,Enzyme,1,0.253766702772052,0.21746759675038269,7.54,2.573573105593769,2.232862805036445,2.186729995881067,2.1802803490531026,2.1795881207993846,2.178375854373751,2.179748204229134,2.177478246412161,2.181058717465323,2.1793812784883677,3.18,3.18,3.18,3.18,3.18,3.18,3.18,3.18,3.18,3.18,3.18,2.86,5.343213447203116,5.513568597481778,5.536635002059467,5.5398598254734495,5.540205939600308,5.540812072813125,5.540125897885433,5.5412608767939195,5.539470641267339,5.540309360755817,second
+276,10.28,90,2.2563551140025744e+17,3.04,1.1118575154181303,188.0,Branched,Enzyme,1,2.088129760901737,1.0850848644087927,8.69,1.6766918924271794,1.6750542356890343,1.6781870024429775,1.6748945391517036,1.675457443519927,1.6778821894256883,1.674333065915842,1.6761650331806326,1.6769866543310425,1.6767959091598683,1.11,1.11,1.11,1.11,1.11,1.11,1.11,1.11,1.11,1.11,1.11,1.9,5.4066540537864105,5.407472882155483,5.405906498778512,5.407552730424149,5.407271278240036,5.406058905287155,5.407833467042079,5.406917483409684,5.406506672834479,5.406602045420065,second
+274,9.93,90,2.4984375022070396e+16,2.26,0.8153648132841944,46.5,Branched,Acid,0,0.17365420743299845,0.088981101507721,5.77,5.021596845759386,4.370272987147914,3.8026541141513017,3.3075920844638746,2.87713117769656,2.503694228067606,2.1800312943681854,1.8992196599623923,1.654663832787246,1.440405964372933,0.03,0.03,0.03,0.03,0.03,0.03,0.03,0.03,0.03,0.03,0.03,3.25,3.25,3.25,3.25,3.25,3.25,3.25,3.25,3.25,3.25,3.25,first
+279,2.93,94,1.5334144335379648e+17,0.55,-0.5978370007556204,47.6,Linear,Enzyme,0,0.38570594219644033,0.21437030878242055,7.71,5.66285640016581,4.15939465092181,3.0519867191356242,2.2423308704627014,1.650282367340306,1.2114091984544773,0.8896264745333796,0.6544892688277248,0.4808105756669449,0.35317096941270354,4.37,4.37,4.37,4.37,4.37,4.37,4.37,4.37,4.37,4.37,4.37,2.91,2.91,2.91,2.91,2.91,2.91,2.91,2.91,2.91,2.91,2.91,first
+275,8.92,98,9.970190759530768e+16,1.04,0.03922071315328133,44.3,Linear,Base,0,0.024182706681971436,0.01491742834530032,9.16,2.8005466050174346,2.028644550164291,1.669950496207278,1.4515104612244265,1.3021422362880604,1.1907327771090672,1.1031431366783877,1.033101408891024,0.9752344946225969,0.9255891245055001,3.15,3.15,3.15,3.15,3.15,3.15,3.15,3.15,3.15,3.15,3.15,4.26,6.379817798327522,6.637118483278569,6.756683167930907,6.829496512925191,6.8792859212373125,6.916422407630311,6.945618954440537,6.968966197036325,6.988255168459134,7.004803625164834,third
+275,10.28,99,6.647994513325408e+16,4.66,1.5390154481375546,35.6,Branched,Enzyme,0,0.010412166089542263,0.005763540218139588,5.02,4.978358413386348,4.93706224943238,4.8961086428435205,4.855494751996726,4.815217758634227,4.775274868489391,4.735663310364236,4.696380335733002,4.6574232187421565,4.618789256210391,4.89,4.89,4.89,4.89,4.89,4.89,4.89,4.89,4.89,4.89,4.89,2.45,2.45,2.45,2.45,2.45,2.45,2.45,2.45,2.45,2.45,2.45,first
+274,5.15,97,4.92366127192944e+16,3.85,1.3480731482996928,179.7,Linear,None,1,0.01584145925867548,0.00984710405483142,1.83,1.7774926401253912,1.7290196261907969,1.6842154832062413,1.642748511504282,1.604335743842574,1.5687244713161594,1.5356814239962773,1.5049927709303632,1.4764641201420499,1.4499205186311663,3.96,3.907492640125391,3.859019626190797,3.814215483206241,3.7727485115042816,3.7343357438425735,3.698724471316159,3.665681423996277,3.6349927709303627,3.6064641201420495,3.579920518631166,4.72,4.772507359874608,4.820980373809203,4.865784516793759,4.907251488495717,4.945664256157426,4.98127552868384,5.014318576003722,5.045007229069636,5.07353587985795,5.100079481368833,second
+272,11.8,91,1.9828920716452394e+17,0.62,-0.4780358009429998,74.7,Linear,Enzyme,1,0.6623815113776115,0.3568081610498964,9.25,6.655394837748379,6.620906209631125,6.620097945023659,6.61965561687263,6.62014413040275,6.620406483621757,6.620271471765012,6.620538010058929,6.620138016444064,6.620257599608432,3.07,0.47539483774837854,0.4409062096311243,0.44009794502365807,0.43965561687262866,0.4401441304027487,0.4404064836217559,0.44027147176501025,0.44053801005892795,0.44013801644406264,0.4402575996084309,2.78,5.374605162251622,5.4090937903688765,5.409902054976342,5.410344383127371,5.409855869597251,5.409593516378244,5.409728528234989,5.4094619899410725,5.409861983555937,5.409742400391569,second
+272,6.81,95,3.153634804639603e+17,1.49,0.3987761199573678,128.9,Unknown,None,1,0.17965376005941472,0.15237493190327267,1.69,1.4436539792077314,1.4293428711385534,1.428331907546473,1.4277376159880282,1.430213872944213,1.4289177009464915,1.4280015345362485,1.4275411856822926,1.4284904071733489,1.4302972954984658,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,3.35,3.43211534026409,3.4368857096204826,3.437222697484509,3.437420794670657,3.4365953756852625,3.4370274330178363,3.4373328218212507,3.4374862714392362,3.437169864275551,3.436567568167179,third
+276,11.63,97,3.48763839007312e+17,2.95,1.0818051703517284,88.4,Linear,Acid,0,0.15277139313718718,0.11462564723582327,1.66,1.4690266926137512,1.3000248989912708,1.1503453945476778,1.017678058998617,0.9003149244953276,0.7966436908421577,0.7051320290481751,0.6243275813271653,0.5528579610976333,0.4894307529828027,3.39,3.39,3.39,3.39,3.39,3.39,3.39,3.39,3.39,3.39,3.39,1.71,1.71,1.71,1.71,1.71,1.71,1.71,1.71,1.71,1.71,1.71,first
+270,2.87,92,1.1314504949006022e+17,3.03,1.1085626195212777,168.1,Linear,Enzyme,0,0.17968954108877355,0.10524752013557077,1.66,0.906382618243674,0.6941839654749693,0.5834786603249782,0.5135320118603995,0.46338073040692845,0.4259681108337822,0.3963204058320191,0.37191640659352054,0.35155692606222455,0.3342075353477566,0.46,0.46,0.46,0.46,0.46,0.46,0.46,0.46,0.46,0.46,0.46,4.68,4.931205793918775,5.0019386781750095,5.038840446558339,5.062155996046532,5.078873089864356,5.0913439630554045,5.101226531389326,5.1093611978021585,5.11614769131259,5.121930821550746,third
+276,12.91,91,8.196224750056059e+16,2.54,0.9321640810304452,184.9,Linear,Acid,1,0.4905701431389803,0.3602218408891315,2.2,1.8414277612476697,1.7620193644024078,1.7432062223716704,1.7387769229607364,1.7375534982356584,1.7371672918947199,1.737217181862168,1.73716471420375,1.7370355650274192,1.7374058319730752,1.58,1.2214277612476694,1.1420193644024075,1.1232062223716701,1.118776922960736,1.117553498235658,1.1171672918947195,1.1172171818621677,1.1171647142037497,1.1170355650274189,1.1174058319730749,2.18,2.5385722387523306,2.6179806355975925,2.63679377762833,2.6412230770392644,2.642446501764342,2.642832708105281,2.6427828181378326,2.6428352857962505,2.642964434972581,2.6425941680269256,second
+276,7.77,96,2.4855340686338374e+17,4.23,1.4422019930581866,107.6,Ring,Base,1,0.16834223439291343,0.1236099753700268,3.22,2.066593972933583,1.7404620560326247,1.6271289555554063,1.5845658015121333,1.567451605017114,1.561515546409084,1.5584685726016505,1.5579588902516355,1.557388819409355,1.5571623154864622,4.06,4.06,4.06,4.06,4.06,4.06,4.06,4.06,4.06,4.06,4.06,2.47,3.0467030135332083,3.2097689719836877,3.266435522222297,3.2877170992439337,3.296274197491443,3.2992422267954575,3.3007657136991746,3.301020554874182,3.301305590295322,3.3014188422567687,second
+276,7.09,97,4.484452207188665e+17,0.51,-0.6733445532637656,157.4,Unknown,Enzyme,0,0.19643550578504296,0.10214663734007712,4.86,3.328296585432871,2.66441015132789,2.302949653842365,2.082101609705821,1.935647925902167,1.8348056690742034,1.7621719859774663,1.7093546969686493,1.6700008071163943,1.6402386233378163,3.32,1.7882965854328707,1.12441015132789,0.7629496538423645,0.5421016097058204,0.39564792590216646,0.29480566907420286,0.2221719859774658,0.16935469696864863,0.1300008071163937,0.10023862333781586,3.75,5.281703414567129,5.94558984867211,6.307050346157636,6.52789839029418,6.6743520740978335,6.775194330925797,6.847828014022534,6.900645303031351,6.939999192883606,6.969761376662184,second
+270,1.29,100,3.391471469294629e+16,2.43,0.8878912573524571,100.4,Branched,Enzyme,0,0.001525901413465965,0.0011125609821606662,4.08,4.078779278869227,4.077558557738454,4.0763378366076815,4.075117115476909,4.073896394346136,4.072675673215363,4.07145495208459,4.070234230953817,4.069013509823045,4.067792788692272,1.74,1.74,1.74,1.74,1.74,1.74,1.74,1.74,1.74,1.74,1.74,3.58,3.581220721130773,3.582441442261546,3.5836621633923187,3.5848828845230916,3.586103605653864,3.587324326784637,3.5885450479154097,3.5897657690461826,3.5909864901769555,3.5922072113077284,zero
+275,3.08,93,6.0996487140406504e+16,0.83,-0.18632957819149348,184.3,Branched,None,0,0.13178357755289286,0.087092558099518,9.68,8.711421379765966,7.839745094879566,7.05455559358588,6.347537907518302,5.711580585298389,5.139936927128733,4.626224984792972,4.164427561655774,3.748892212662853,3.374331244340958,3.24,3.24,3.24,3.24,3.24,3.24,3.24,3.24,3.24,3.24,3.24,3.63,4.5985786202340355,5.470254905120434,6.255444406414121,6.962462092481698,7.5984194147016115,8.170063072871267,8.68377501520703,9.145572438344226,9.561107787337146,9.935668755659043,first
+277,2.01,91,4.1731045915894976e+17,4.93,1.5953389880545987,51.6,Unknown,None,0,2.882193298683069,1.6163114851453808,6.6,0.26926960948276435,0.1903558933688124,0.15550098037446702,0.13469665556430876,0.12046611172557696,0.10993671710021528,0.10185300464912149,0.09526967861926046,0.08979907825044121,0.08517431421553506,4.95,4.95,4.95,4.95,4.95,4.95,4.95,4.95,4.95,4.95,4.95,2.15,4.260243463505745,4.286548035543729,4.298166339875178,4.305101114811897,4.309844629424807,4.313354427633262,4.3160489984502926,4.318243440460246,4.32006697391652,4.321608561928155,third
+273,9.3,96,1.3119054013424906e+17,1.25,0.22314355131420976,57.2,Ring,Base,1,0.05610661346515814,0.037158316383695,4.34,1.9218942826181646,1.5884899642635077,1.4770852667434962,1.432358031907119,1.413181637537408,1.4053332002154297,1.4014183137424645,1.3998295259492834,1.3994075489468558,1.3989330721189446,1.13,1.13,1.13,1.13,1.13,1.13,1.13,1.13,1.13,1.13,1.13,3.15,3.9560352391272784,4.0671700119121645,4.104304911085501,4.119213989364294,4.125606120820865,4.128222266594857,4.129527228752512,4.130056824683573,4.130197483684381,4.130355642627019,third
+275,7.31,96,3.376477628188038e+17,4.13,1.4182774069729414,188.7,Ring,Base,0,0.19641168816810317,0.17526214976524712,8.99,8.832870649465518,8.675741298931033,8.518611948396552,8.36148259786207,8.204353247327587,8.047223896793104,7.890094546258621,7.732965195724138,7.575835845189655,7.418706494655172,0.48,0.48,0.48,0.48,0.48,0.48,0.48,0.48,0.48,0.48,0.48,2.52,2.6771293505344826,2.8342587010689653,2.991388051603448,3.14851740213793,3.3056467526724127,3.4627761032068958,3.6199054537413784,3.7770348042758615,3.934164154810344,4.091293505344828,zero
+270,7.35,99,2.128168727459655e+17,2.24,0.8064758658669485,132.4,Branched,Base,0,0.014949028898783365,0.012942069745819369,2.32,1.9700933394476805,1.74410131440778,1.5796727200653857,1.4555199567588364,1.3571404913564533,1.2752848282961813,1.2067100831885953,1.148514971674989,1.0982359236117112,1.0538554885850657,3.51,3.51,3.51,3.51,3.51,3.51,3.51,3.51,3.51,3.51,3.51,1.78,1.8966355535174397,1.9719662285307398,2.0267757599782046,2.068160014413721,2.1009531695478487,2.1282383905679394,2.1510966389371347,2.1704950094416704,2.1872546921294296,2.202048170471645,third
+273,10.18,96,3.4520598408073024e+17,1.38,0.3220834991691132,110.1,Unknown,Base,1,0.14763517777163798,0.12783774118880428,5.23,5.349363672690184,5.403556080357399,5.42802635481253,5.4392049006669625,5.443933573576309,5.4462895260487185,5.447100587780993,5.447651762031324,5.4478445911513855,5.4478463859433495,0.31,0.42936367269018316,0.4835560803573985,0.5080263548125287,0.5192049006669616,0.5239335735763074,0.526289526048717,0.5271005877809911,0.5276517620313221,0.5278445911513842,0.5278463859433481,3.54,3.420636327309817,3.3664439196426015,3.3419736451874713,3.3307950993330384,3.3260664264236928,3.3237104739512833,3.322899412219009,3.322348237968678,3.3221554088486163,3.3221536140566523,second
+278,9.66,98,4.962805388132527e+17,3.1,1.1314021114911006,125.4,Branched,Acid,0,0.19116664718582652,0.1031366280670717,7.58,5.099286694996366,4.2737314816651315,3.9021360490622037,3.7122378963467813,3.6085372171543613,3.5502062921911657,3.5168135650340577,3.4973632306685136,3.4860758030013197,3.4794381621748953,4.11,1.6292866949963665,0.8037314816651323,0.43213604906220415,0.24223789634678175,0.13853721715436168,0.0802062921911664,0.046813565034058084,0.02736323066851404,0.016075803001320256,0.009438162174895806,3.16,5.640713305003634,6.466268518334869,6.8378639509377965,7.0277621036532185,7.131462782845639,7.1897937078088345,7.2231864349659425,7.242636769331487,7.253924196998681,7.260561837825105,second
+271,12.58,98,1.7998851559632957e+17,3.9,1.3609765531356006,48.4,Linear,None,0,0.02318906069984085,0.01822972961054257,4.34,4.260229786990492,4.181925769553841,4.105060998827632,4.029609009703158,3.9555438322873924,3.882840002388051,3.8114725041868356,3.741416768326708,3.672648671911896,3.6051445385078873,0.93,0.93,0.93,0.93,0.93,0.93,0.93,0.93,0.93,0.93,0.93,1.73,1.73,1.73,1.73,1.73,1.73,1.73,1.73,1.73,1.73,1.73,first
+279,8.59,98,9.703698091363285e+16,4.81,1.5706970841176697,196.8,Linear,None,0,0.04351342651264845,0.02748061506052744,8.46,8.170568012172247,7.891038038506459,7.6210712759764405,7.360339446392129,7.10852748202207,6.865331324057371,6.630456396343228,6.40361760537893,6.184539340317852,5.972955472967463,1.49,1.49,1.49,1.49,1.49,1.49,1.49,1.49,1.49,1.49,1.49,4.07,4.07,4.07,4.07,4.07,4.07,4.07,4.07,4.07,4.07,4.07,first
+271,10.01,97,2.693236282498023e+17,4.33,1.4655675420143985,95.3,Branched,Acid,1,0.054083841236200976,0.028590338180427274,3.72,1.7631506574019942,1.358084533649356,1.1718753639510369,1.0666250965125879,1.0010957399081546,0.9577603496160866,0.9277583548150736,0.9073135717896403,0.8926752572709564,0.8819715496453986,2.78,2.78,2.78,2.78,2.78,2.78,2.78,2.78,2.78,2.78,2.78,0.22,0.8722831141993354,1.0073051554502146,1.0693748786829878,1.104458301162471,1.1263014200306152,1.1407465501279714,1.1507472150616422,1.1575621427367868,1.1624415809096815,1.166009483451534,third
+271,7.92,92,3.455032124776324e+17,4.36,1.472472057360943,138.8,Ring,None,1,0.6382909920659643,0.5408260053430726,1.05,1.4237125492891993,1.4238495109145757,1.4246005316331818,1.4238558693584384,1.4244098658503894,1.4236660907991419,1.4234614731449728,1.4237468373081281,1.4232999183331814,1.4220969615268846,2.95,2.95,2.95,2.95,2.95,2.95,2.95,2.95,2.95,2.95,2.95,3.53,3.4054291502369334,3.4053834963618077,3.405133156122272,3.4053813768805203,3.4051967113832036,3.405444636400286,3.405512842285009,3.4054177208972907,3.405566693888939,3.405967679491038,third
+278,6.45,95,4.898841740839024e+17,2.56,0.9400072584914712,22.7,Unknown,Acid,0,0.6910059897788505,0.3694154481139483,7.25,6.697195208176919,6.144390416353838,5.591585624530759,5.038780832707678,4.485976040884598,3.9331712490615165,3.380366457238436,2.8275616654153564,2.2747568735922736,1.7219520817691931,2.82,2.82,2.82,2.82,2.82,2.82,2.82,2.82,2.82,2.82,2.82,3.45,4.002804791823081,4.555609583646161,5.108414375469241,5.661219167292322,6.214023959115402,6.766828750938483,7.319633542761564,7.872438334584643,8.425243126407727,8.978047918230807,zero
+273,13.22,96,2.890349350869758e+17,3.7,1.308332819650179,166.3,Ring,Base,0,0.12361235317925504,0.08430233603914447,8.07,7.310148323645924,6.621813998578064,5.997795234121549,5.432340160103157,4.920354092538394,4.4570084219865596,4.037740613550747,3.6582542068778423,3.3145188161585226,3.00277013012726,1.79,1.79,1.79,1.79,1.79,1.79,1.79,1.79,1.79,1.79,1.79,2.04,2.799851676354076,3.488186001421936,4.1122047658784515,4.677659839896843,5.189645907461606,5.65299157801344,6.072259386449252,6.451745793122158,6.795481183841478,7.10722986987274,first
+270,4.71,91,3.491784921241429e+17,4.13,1.4182774069729414,48.3,Ring,Enzyme,0,0.8657716188086843,0.47980059999486174,6.48,0.6515931827665038,0.3428478706446685,0.23270526528885271,0.17625835669844891,0.14171521397135817,0.11859142239972843,0.1018354493917554,0.08936027753466755,0.07955771637181736,0.07166043792492281,0.64,0.64,0.64,0.64,0.64,0.64,0.64,0.64,0.64,0.64,0.64,0.18,3.0942034086167483,3.2485760646776662,3.303647367355574,3.331870821650776,3.3491423930143216,3.3607042888001364,3.3690822753041227,3.3753198612326667,3.3802211418140917,3.3841697810375386,second
+275,10.74,96,4.2724995356927917e+17,2.03,0.7080357930536959,67.3,Branched,Enzyme,0,0.24853380916763013,0.1607952132201666,4.69,1.639316485550272,0.9937291376201207,0.7127958655139657,0.5562637124292427,0.4555005558645112,0.38622740993702487,0.3346724587230259,0.2955508698534088,0.2647849190118538,0.23957116701215284,1.76,1.76,1.76,1.76,1.76,1.76,1.76,1.76,1.76,1.76,1.76,0.96,2.485341757224864,2.80813543118994,2.9486020672430175,3.026868143785379,3.077249722067745,3.1118862950314883,3.1376637706384876,3.1572245650732964,3.1726075404940737,3.1852144164939244,second
+274,5.88,93,2.903902826121384e+17,1.03,0.02955880224154443,151.4,Branched,Base,1,0.5408366658475001,0.3298618216961587,1.47,1.8415410823787846,2.024790168664651,2.117089361766319,2.163121103344569,2.1859039164142247,2.1971359547746583,2.2032132516786915,2.2054726887416582,2.2070373883788124,2.207854171261891,0.7,0.7,0.7,0.7,0.7,0.7,0.7,0.7,0.7,0.7,0.7,4.36,3.988458917621216,3.8052098313353495,3.7129106382336814,3.6668788966554313,3.644096083585776,3.6328640452253422,3.626786748321309,3.6245273112583423,3.622962611621188,3.6221458287381094,first
+276,9.56,92,1.2021821424090182e+17,3.23,1.172482137234565,63.9,Linear,Acid,1,0.4653661060516441,0.33203685123733306,9.76,1.7480328055284604,1.7477619415413994,1.7464487609851411,1.7490728711064356,1.7501841862419454,1.7495694576460301,1.7495971306701603,1.7470812584074116,1.7475591958926984,1.7487396236624877,0.35,0.35,0.35,0.35,0.35,0.35,0.35,0.35,0.35,0.35,0.35,4.82,7.490655731490513,7.4907460194862,7.491183746338286,7.490309042964521,7.489938604586017,7.490143514117989,7.490134289776613,7.490972913864196,7.490813601369101,7.490420125445838,third
+272,5.0,95,2.4493660998204243e+17,1.22,0.19885085874516517,176.3,Branched,Enzyme,0,0.13953354045542074,0.10415307605387308,1.89,1.3290628443158723,1.031688897335407,0.8389425367057781,0.7068596277545831,0.6104745193658598,0.5380215969202382,0.48050114079687345,0.4339268598225427,0.39569309430739263,0.36364174144906636,2.7,2.7,2.7,2.7,2.7,2.7,2.7,2.7,2.7,2.7,2.7,3.23,3.5104685778420635,3.6591555513322964,3.755528731647111,3.8215701861227087,3.86976274031707,3.905989201539881,3.9347494296015637,3.958036570088729,3.977153452846304,3.9931791292754673,second
+271,3.66,99,8.283042122617725e+16,1.9,0.6418538861723947,86.6,Linear,None,1,0.006846577388668215,0.004349456115338093,7.28,7.242797676102996,7.205927079158889,7.16938525111282,7.13316925979666,7.0972762005416445,7.061703194299389,7.026447387184753,6.991505950475838,6.956876080613988,6.92255499920379,2.67,2.67,2.67,2.67,2.67,2.67,2.67,2.67,2.67,2.67,2.67,0.72,0.7572023238970036,0.7940729208411113,0.8306147488871798,0.8668307402033397,0.9027237994583557,0.9382968057006111,0.9735526128152472,1.0084940495241623,1.0431239193860122,1.0774450007962102,first
+272,3.61,92,4.926971188268612e+17,2.18,0.7793248768009977,167.0,Ring,Base,0,1.0576527295243496,0.5443206238103329,8.79,4.501732542565963,4.4511899141847975,4.450027606993398,4.450000714306851,4.4500000597555704,4.450000350551299,4.45000007425689,4.449999666704588,4.449999433663956,4.450000226888989,4.34,0.05173254256596389,0.001189914184798103,2.760699339843533e-05,7.143068521910122e-07,5.97555706340766e-08,3.5055129915322665e-07,7.425688998661632e-08,-3.3329541240354294e-07,-5.663360437752799e-07,2.2688898935765275e-07,1.73,6.018267457434036,6.068810085815202,6.069972393006601,6.069999285693148,6.069999940244429,6.0699996494487,6.06999992574311,6.070000333295412,6.070000566336043,6.069999773111011,second
+275,1.68,90,2.1732529656230134e+17,2.73,1.0043016091968684,199.9,Unknown,Acid,0,1.7438927297162692,1.3020521902612976,9.36,2.3193580799130715,0.5757712401297128,0.14283470678960541,0.035436062006388,0.008801968186152271,0.0021815087919913384,0.0005424241612703797,0.00013458570163996786,3.333394216289522e-05,8.456230801512064e-06,4.9,4.9,4.9,4.9,4.9,4.9,4.9,4.9,4.9,4.9,4.9,4.89,11.930641920086929,13.674228759870287,14.107165293210393,14.214563937993612,14.241198031813845,14.247818491208006,14.249457575838727,14.249865414298357,14.249966666057835,14.249991543769196,first
+272,6.27,99,7.78375585823678e+16,3.39,1.220829921392359,38.2,Unknown,None,0,0.00756188211196557,0.005109346678185872,5.99,5.585217149334671,5.231689512218707,4.91993754337017,4.642666061522479,4.395326488451194,4.173840654157806,3.974475502384001,3.7938430906116594,3.628900590062858,3.476950285699868,4.77,4.77,4.77,4.77,4.77,4.77,4.77,4.77,4.77,4.77,4.77,3.31,3.5123914253326647,3.6891552438906468,3.845031228314915,3.9836669692387607,4.107336755774403,4.218079672921097,4.317762248807999,4.40807845469417,4.490549704968571,4.566524857150066,second
+270,12.69,95,4.139341831082518e+17,1.65,0.5007752879124892,57.1,Branched,Enzyme,0,0.17274786332097142,0.13071878819908836,8.36,2.530359933841729,1.4924739403561706,1.057605988216797,0.8185037821528199,0.6686612674710959,0.5641529626981412,0.4885082194683088,0.4307876800211344,0.38495152479414924,0.3479397983309848,4.08,4.08,4.08,4.08,4.08,4.08,4.08,4.08,4.08,4.08,4.08,2.79,5.704820033079135,6.223763029821915,6.441197005891601,6.5607481089235895,6.635669366264452,6.687923518650929,6.725745890265845,6.754606159989432,6.777524237602925,6.796030100834507,second
+274,11.23,96,7.383770563398883e+16,4.5,1.5040773967762742,105.6,Linear,Base,1,0.03684931915863435,0.03167520239278141,1.42,1.3948004925345827,1.3709452404787492,1.348362467808285,1.3269836087462281,1.306745114549607,1.2875867665898701,1.2694510691664151,1.252283249506587,1.2360312577656791,1.2206457670269335,2.5,2.5,2.5,2.5,2.5,2.5,2.5,2.5,2.5,2.5,2.5,0.63,0.6551995074654172,0.6790547595212507,0.7016375321917149,0.7230163912537717,0.743254885450393,0.7624132334101298,0.7805489308335848,0.7977167504934131,0.8139687422343208,0.8293542329730664,first
+278,3.08,100,2.20661279519626e+17,2.19,0.7839015438284094,20.1,Linear,Enzyme,0,0.035777390475779866,0.0191843791519557,3.46,3.362371995837378,3.267498684544116,3.1753023311304927,3.0857072307878104,2.998640135599865,2.914029878398681,2.831807158280198,2.7519045406042695,2.674256456994666,2.5987992053390716,1.36,1.36,1.36,1.36,1.36,1.36,1.36,1.36,1.36,1.36,1.36,4.21,4.3076280041626225,4.4025013154558845,4.494697668869508,4.58429276921219,4.671359864400135,4.75597012160132,4.8381928417198035,4.918095459395731,4.995743543005335,5.071200794660929,first
+276,7.52,95,8.230742057585485e+16,4.66,1.5390154481375546,107.1,Unknown,Enzyme,1,0.08619362300976473,0.06778054231373085,7.27,7.047308560181937,6.850428281787925,6.676327562045578,6.522171456074215,6.385860820333374,6.265507691539036,6.159326710985036,6.0656351245430615,5.9828527826626505,5.909502140371192,0.34,0.34,0.34,0.34,0.34,0.34,0.34,0.34,0.34,0.34,0.34,4.88,5.102691439818062,5.299571718212074,5.473672437954422,5.6278285439257845,5.764139179666626,5.884492308460963,5.990673289014963,6.084364875456938,6.167147217337349,6.240497859628808,first
+270,12.84,95,9.340364103877269e+16,1.69,0.5247285289349821,20.7,Linear,Base,0,0.03898030187960412,0.025769933394337145,5.53,5.498815758496317,5.4676315169926335,5.43644727548895,5.405263033985267,5.374078792481583,5.3428945509779,5.311710309474217,5.280526067970533,5.24934182646685,5.2181575849631665,2.16,2.16,2.16,2.16,2.16,2.16,2.16,2.16,2.16,2.16,2.16,0.57,0.6011842415036832,0.6323684830073666,0.6635527245110499,0.6947369660147331,0.7259212075184165,0.7571054490220998,0.7882896905257831,0.8194739320294664,0.8506581735331498,0.881842415036833,zero
+273,8.65,95,1.2020987307612694e+17,4.66,1.5390154481375546,130.5,Unknown,Acid,0,0.07987194542462052,0.06898907873833514,2.78,2.6079210125807197,2.446493598872393,2.2950520680141575,2.152973975944038,2.0196937828484622,1.8946738898976263,1.777403646934296,1.6673993524738058,1.56420425370406,1.4673885464855325,4.5,4.5,4.5,4.5,4.5,4.5,4.5,4.5,4.5,4.5,4.5,1.79,1.96207898741928,2.1235064011276066,2.2749479319858423,2.4170260240559616,2.5503062171515376,2.6753261101023735,2.792596353065704,2.902600647526194,3.0057957462959397,3.1026114535144673,first
+275,13.98,99,3.54311896942962e+17,4.49,1.501852701754163,38.3,Ring,Base,0,0.055492740119990586,0.04717016775208906,9.47,9.058782325718983,8.665421105821244,8.289140510265838,7.929194215730154,7.584877551889764,7.255515938436011,6.940460657267898,6.639088852492087,6.350803530422901,6.075033559582321,3.86,3.86,3.86,3.86,3.86,3.86,3.86,3.86,3.86,3.86,3.86,4.47,4.47,4.47,4.47,4.47,4.47,4.47,4.47,4.47,4.47,4.47,first
+277,4.17,93,4.0481948692847514e+17,1.94,0.6626879730752367,44.3,Ring,Base,1,1.1731842066542282,0.8731888856158727,8.42,1.9361106191352262,1.9356873274305835,1.9353204544103757,1.9345491956964909,1.9368636956756797,1.9351849519055269,1.9348507213976405,1.9377669895982956,1.9338934715191658,1.9361591224051473,1.48,1.48,1.48,1.48,1.48,1.48,1.48,1.48,1.48,1.48,1.48,1.79,5.031944690432385,5.032156336284706,5.03233977279481,5.032725402151753,5.0315681521621585,5.032407524047233,5.032574639301177,5.031116505200848,5.033053264240413,5.031920438797423,second
+274,9.41,94,4.864996589695813e+17,2.43,0.8878912573524571,111.5,Ring,Acid,1,0.5841472412750511,0.32799169339916223,6.21,1.8802654762508977,1.8279599388565153,1.8268048383829503,1.8274711752239923,1.8278620439873858,1.8284039960316638,1.8274043805261153,1.826013207839486,1.8257108285068764,1.8267771858353177,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,3.75,5.914867261874551,5.9410200305717416,5.941597580808525,5.941264412388004,5.941068978006307,5.9407980019841675,5.941297809736942,5.941993396080257,5.942144585746561,5.94161140708234,second
+273,13.51,100,4.193875290396475e+17,4.72,1.5518087995974639,89.2,Unknown,Enzyme,1,0.030786243157813236,0.02711313971786263,2.09,1.6554031780717686,1.4315532989577249,1.291784847226058,1.1969344205464794,1.1301868995015607,1.0812504642721137,1.043567716657685,1.0148086831367136,0.9927574048184435,0.975344642742153,1.24,1.24,1.24,1.24,1.24,1.24,1.24,1.24,1.24,1.24,1.24,0.44,0.5848656073094104,0.6594822336807583,0.706071717591314,0.7376885264845068,0.7599377001661464,0.7762498452426287,0.7888107611141049,0.7983971056210954,0.8057475317271854,0.8115517857526156,third
+278,12.09,100,1.9929714386528086e+17,1.34,0.29266961396282004,93.1,Branched,None,0,0.032313470457066056,0.02750881977496637,6.44,5.751986143231312,5.218461469132329,4.792064093491018,4.446410590908333,4.161229962855827,3.9196842544874895,3.7121516438566906,3.533300387248678,3.3777195670397826,3.241107596127505,4.73,4.041986143231313,3.50846146913233,3.082064093491019,2.7364105909083336,2.4512299628558276,2.20968425448749,2.002151643856691,1.8233003872486788,1.667719567039783,1.5311075961275056,2.15,2.838013856768688,3.3715385308676704,3.7979359065089815,4.143589409091667,4.428770037144173,4.67031574551251,4.877848356143309,5.056699612751321,5.212280432960217,5.348892403872495,second
+275,13.7,90,3.8676895706799123e+17,3.15,1.1474024528375417,48.8,Linear,None,0,3.1035667866554935,1.9565382888253273,7.49,4.620018710724932,4.620001002497482,4.619998893673191,4.6200008209017245,4.619999736789032,4.620000860111498,4.619999772565668,4.619999992433288,4.619999450142429,4.620000271514596,2.87,1.8710724933514096e-05,1.0024974835815409e-06,-1.1063268066092491e-06,8.209017258419105e-07,-2.632109663640813e-07,8.601114981127911e-07,-2.274343309260218e-07,-7.566711354467183e-09,-5.498575701520126e-07,2.715145957772643e-07,3.17,6.039981289275068,6.039998997502519,6.040001106326809,6.039999179098276,6.040000263210968,6.0399991398885025,6.040000227434332,6.040000007566712,6.040000549857571,6.039999728485404,second
+272,4.44,90,5.657215928573298e+16,4.31,1.4609379041156563,27.7,Branched,Acid,1,0.2940748841112101,0.1656475221571973,1.46,1.0015270192990853,0.8031792005159313,0.7079499234449247,0.6604231439403742,0.6355321778142636,0.6228604468253724,0.615898499125933,0.6125230569618207,0.6105900535298531,0.6095612563594527,2.39,1.9315270192990854,1.7331792005159314,1.6379499234449248,1.5904231439403742,1.5655321778142637,1.5528604468253726,1.5458984991259332,1.542523056961821,1.5405900535298531,1.539561256359453,0.81,1.2684729807009147,1.4668207994840687,1.5620500765550753,1.609576856059626,1.6344678221857365,1.6471395531746276,1.654101500874067,1.6574769430381793,1.659409946470147,1.6604387436405472,second
+279,7.98,90,4.627429787500369e+17,2.72,1.000631880307906,175.3,Ring,None,0,6.529010934331001,5.3039361874735365,9.19,3.790003428947758,3.7899990060918034,3.789999981672275,3.790001159922446,3.790000151146242,3.7899996597722314,3.7900030361414703,3.7899988437441,3.789998244789421,3.7900014263293094,2.7,1.714473880247031e-06,-4.969540967335257e-07,-9.16386123231799e-09,5.799612246797589e-07,7.557312217939044e-08,-1.7011388292287133e-07,1.518070736514155e-06,-5.781279485315906e-07,-8.776052880776392e-07,7.131646561759705e-07,2.27,4.9699982855261196,4.970000496954096,4.970000009163862,4.969999420038778,4.96999992442688,4.970000170113884,4.969998481929263,4.970000578127948,4.970000877605289,4.969999286835344,third
+280,1.99,91,4.193517785788277e+17,2.01,0.6981347220709843,101.2,Branched,Base,0,4.422902380996848,3.653781735212284,1.65,0.13056308419010865,0.0680436313342155,0.04599676118436216,0.03471330719308913,0.0278898331725042,0.023305847343858224,0.020029456602150997,0.01753837835341818,0.015611152259776235,0.014067511330562341,3.46,3.46,3.46,3.46,3.46,3.46,3.46,3.46,3.46,3.46,3.46,4.39,5.149718457904946,5.180978184332893,5.192001619407819,5.1976433464034555,5.201055083413748,5.203347076328071,5.204985271698924,5.206230810823291,5.207194423870113,5.207966244334719,second
+273,12.57,90,5.816266806546174e+16,3.42,1.2296405510745139,72.6,Ring,Acid,0,0.34979321834734467,0.17552490939070428,1.2,0.6512669323871569,0.49830101668057225,0.4186396987979254,0.3683407695704267,0.332334103293845,0.30549562086602006,0.28417930032614136,0.26666624492756225,0.25206249715107765,0.23961765856198802,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.59,4.772911022537615,4.823899661106476,4.8504534337340255,4.867219743476524,4.879221965568719,4.888168126377994,4.895273566557953,4.901111251690812,4.905979167616307,4.910127447146004,third
+280,10.76,90,4.433761357133901e+17,4.66,1.5390154481375546,21.5,Ring,Base,1,7.185553084144006,4.788911790382434,2.2,1.4903846329633474,1.4925879434090825,1.491215424512578,1.4906046549829806,1.4930980526813178,1.4906282141650058,1.4912209838510444,1.49275497669398,1.4902656101435345,1.4923878376258657,3.71,3.71,3.71,3.71,3.71,3.71,3.71,3.71,3.71,3.71,3.71,4.74,4.976538455678882,4.975804018863634,4.9762615251624664,4.976465115005662,4.9756339824395495,4.9764572619449865,4.976259672049639,4.975748341101995,4.976578129952141,4.975870720791361,third
+277,2.0,91,4.9471690809734675e+17,4.48,1.4996230464268938,177.7,Unknown,Enzyme,0,3.4168081004657487,2.2303950747017387,2.27,0.06381420076194527,0.03289205361914329,0.022176382069064676,0.01673770288578755,0.013427900600307673,0.011230228256992202,0.009638969591006196,0.008443421661694284,0.007521378292755725,0.006775374785767296,3.82,2.716907100380972,2.701446026809571,2.6960881910345313,2.693368851442893,2.6917139503001533,2.6906151141284953,2.6898194847955024,2.6892217108308465,2.688760689146377,2.688387687392883,2.48,3.583092899619028,3.598553973190429,3.6039118089654685,3.6066311485571068,3.6082860496998466,3.6093848858715045,3.6101805152044975,3.6107782891691533,3.6112393108536227,3.6116123126071167,third
+277,7.98,99,4.172214108921075e+17,2.97,1.0885619528146082,199.1,Branched,None,0,0.08932937086853063,0.06431463699620674,6.98,5.542242051933225,4.752890357646253,4.259611726000644,3.9278766647234953,3.6958354022155238,3.526792405891004,3.4002540935729226,3.3047954477511396,3.2311592586142073,3.1736655498219357,4.03,2.5922420519332245,1.8028903576462516,1.3096117260006426,0.977876664723494,0.745835402215522,0.576792405891002,0.450254093572921,0.354795447751138,0.28115925861420554,0.2236655498219341,3.31,4.747757948066776,5.537109642353748,6.030388273999357,6.362123335276506,6.594164597784477,6.763207594108997,6.889745906427079,6.985204552248861,7.0588407413857945,7.116334450178066,second
+273,6.23,96,1.640091575108067e+17,2.17,0.7747271675523681,132.0,Linear,Base,0,0.07014224040688101,0.06291798510011412,9.76,4.668652684050522,3.0660477442262835,2.282855086194,1.8203220650101213,1.510998789448906,1.2935429072339613,1.1300633173332886,1.0027207524413164,0.9018888268608622,0.8195018090216748,1.46,1.46,1.46,1.46,1.46,1.46,1.46,1.46,1.46,1.46,1.46,3.14,5.685673657974739,6.486976127886859,6.878572456903,7.109838967494939,7.264500605275547,7.37322854638302,7.454968341333356,7.518639623779342,7.5690555865695694,7.610249095489163,second
+273,10.86,96,9.844646433607309e+16,2.05,0.7178397931503168,185.9,Linear,Enzyme,1,0.04210286592206465,0.036038422105747446,1.39,1.3868165582078418,1.3838260207494193,1.3810167315818016,1.3783776949491149,1.3758985611780614,1.3735696161714694,1.3713818269868927,1.3693266611425545,1.367396057597583,1.3655824267520098,4.92,4.92,4.92,4.92,4.92,4.92,4.92,4.92,4.92,4.92,4.92,1.51,1.5131834417921581,1.5161739792505806,1.5189832684181983,1.521622305050885,1.5241014388219385,1.5264303838285305,1.5286181730131072,1.5306733388574454,1.532603942402417,1.53441757324799,first
+278,1.17,98,3.168465759578348e+17,2.16,0.7701082216960737,131.6,Linear,Enzyme,0,0.12204890754533676,0.08354691845509402,3.24,2.9386024241964477,2.6652426159730123,2.4172190057377008,2.1921532857884296,1.9880647413451356,1.8030838705329004,1.6354492237209335,1.4835074035225682,1.345713064795264,1.220628914640606,3.09,3.09,3.09,3.09,3.09,3.09,3.09,3.09,3.09,3.09,3.09,2.67,2.9713975758035525,3.244757384026988,3.4927809942622994,3.7178467142115705,3.9219352586548646,4.1069161294671,4.274550776279066,4.426492596477432,4.564286935204736,4.689371085359394,first
+273,1.03,96,1.7069323147566938e+17,1.81,0.5933268452777344,147.4,Linear,Base,1,0.07300083641491112,0.04011437505093484,6.56,1.7051344661947205,1.3164914723509804,1.1731161944954451,1.1070628704025178,1.0732734166680702,1.055555867451917,1.045701470296062,1.0408228855128625,1.0377668608120252,1.036101874111016,3.52,3.52,3.52,3.52,3.52,3.52,3.52,3.52,3.52,3.52,3.52,0.17,1.7882885112684264,1.9178361758830063,1.965627935168185,1.9876457098658273,1.9989088611106431,2.004814710849361,2.008099509901313,2.009725704829046,2.010744379729325,2.011299375296328,third
+276,11.68,93,2.4313144252725718e+17,2.92,1.0715836162801904,170.3,Ring,Base,0,0.608699333248368,0.46052911388807133,1.29,0.7925397125854567,0.48704459371746994,0.29914340500619163,0.1841312503025981,0.11309197379812404,0.06959839565570455,0.04274643061136175,0.026307453872556837,0.016157402076968835,0.009946138933319235,2.65,2.65,2.65,2.65,2.65,2.65,2.65,2.65,2.65,2.65,2.65,4.72,4.72,4.72,4.72,4.72,4.72,4.72,4.72,4.72,4.72,4.72,first
+275,12.35,97,2.036239940801123e+17,4.92,1.5933085305042167,131.0,Linear,Acid,0,0.07648590294725248,0.056992977742880944,6.16,4.486729637875908,4.184149452406622,4.090873775275002,4.0584643545508365,4.046769236908482,4.0424909704503165,4.040918134396343,4.040338913861851,4.040125280599449,4.040046224139332,1.06,0.22336481893795404,0.07207472620331135,0.025436887637501106,0.00923217727541845,0.00338461845424102,0.0012454852251582364,0.0004590671981719494,0.00016945693092557796,6.264029972441943e-05,2.3112069666011077e-05,2.44,3.276635181062046,3.4279252737966885,3.474563112362499,3.4907678227245817,3.4966153815457592,3.498754514774842,3.4995409328018283,3.4998305430690744,3.4999373597002754,3.499976887930334,third
+274,9.87,100,1.2562901156327667e+17,4.89,1.5871923034867805,138.5,Unknown,Acid,1,0.010830891052710652,0.008010576224338647,4.94,4.834088604734804,4.73553557876701,4.643668078447981,4.5578877285955235,4.477690564527249,4.4026164899811215,4.332244081434784,4.266190588105548,4.2041119319504014,4.145702707666006,2.84,2.7340886047348034,2.635535578767009,2.543668078447981,2.457887728595523,2.3776905645272475,2.3026164899811206,2.2322440814347826,2.1661905881055468,2.1041119319504005,2.0457027076660053,1.83,1.9359113952651963,2.034464421232991,2.126331921552019,2.212112271404477,2.2923094354727525,2.3673835100188794,2.4377559185652173,2.503809411894453,2.5658880680495995,2.6242972923339947,second
+278,2.17,93,9.012439680058224e+16,4.38,1.4770487243883548,83.9,Unknown,Acid,0,0.3020182054860692,0.201043725816884,4.35,2.903189714117249,2.387571574878879,2.141621980561963,2.007542011829223,1.9290651246886128,1.8816495561886724,1.8519828000988232,1.833376804324976,1.8214542418792934,1.8138452824807239,2.55,1.103189714117249,0.587571574878879,0.3416219805619628,0.2075420118292228,0.12906512468861273,0.08164955618867242,0.05198280009882311,0.03337680432497594,0.021454241879293352,0.013845282480723808,1.49,2.9368102858827507,3.452428425121121,3.698378019438037,3.832457988170777,3.910934875311387,3.958350443811327,3.9880171999011766,4.006623195675024,4.018545758120706,4.026154717519275,second
+274,8.65,96,4.1831035320522464e+17,3.82,1.3402504226184837,110.1,Unknown,Enzyme,0,0.20876124982850003,0.12499300991623732,9.27,7.844197780700657,6.637392502548116,5.614897335173041,4.75043618609452,4.020586758403127,3.4039206658227728,2.8810880091779527,2.437889374552947,2.062950731105355,1.7457057233010536,2.17,2.17,2.17,2.17,2.17,2.17,2.17,2.17,2.17,2.17,2.17,2.22,3.6458022192993416,4.852607497451883,5.875102664826958,6.73956381390548,7.4694132415968735,8.086079334177226,8.608911990822046,9.052110625447051,9.427049268894644,9.744294276698945,first
+278,4.27,91,3.9162533997867117e+17,4.93,1.5953389880545987,47.7,Branched,Enzyme,1,3.117912234013928,1.8519326144013057,3.13,1.6722776824318586,1.6696495455332105,1.6724182329913222,1.6696545304907535,1.6721950361014977,1.6698561317084772,1.6717523654762734,1.670231290328793,1.6712129049861608,1.6715228683961463,3.16,3.16,3.16,3.16,3.16,3.16,3.16,3.16,3.16,3.16,3.16,3.97,4.69886115878407,4.700175227233395,4.69879088350434,4.700172734754624,4.6989024819492515,4.70007193414576,4.699123817261863,4.699884354835603,4.699393547506919,4.699238565801926,second
+270,2.3,91,4.766350091955496e+17,4.25,1.4469189829363254,68.3,Branched,Base,0,1.1817940474564272,1.019271960071074,8.71,8.010333287242515,8.010000235483671,8.009999553808688,8.009999343267241,8.010000950928779,8.010000065017701,8.009999197823241,8.010000372747749,8.010001433871333,8.010000445437592,0.7,0.0003332872425141877,2.3548367097307527e-07,-4.461913126962989e-07,-6.567327598381212e-07,9.509287791618227e-07,6.501770023477112e-08,-8.021767610116992e-07,3.727477476322159e-07,1.4338713312240457e-06,4.454375900862544e-07,1.88,2.5796667127574855,2.5799997645163284,2.580000446191312,2.5800006567327594,2.5799990490712204,2.5799999349822995,2.5800008021767606,2.5799996272522523,2.5799985661286686,2.5799995545624097,second
+278,2.15,92,4.8781028596111776e+17,4.44,1.4906543764441336,130.9,Branched,Acid,1,2.519665445074621,1.9184031284611323,3.94,1.3418020421799128,1.341969381251139,1.3406826296467718,1.3399101438744072,1.3413409297261345,1.3424544272943146,1.3407014863640445,1.339978787069524,1.3410516285530325,1.3418586601846398,3.59,3.59,3.59,3.59,3.59,3.59,3.59,3.59,3.59,3.59,3.59,2.3,3.166065985940029,3.1660102062496205,3.166439123451076,3.166696618708531,3.166219690091289,3.1658485242352286,3.1664328378786517,3.166673737643492,3.166316123815655,3.1660471132717856,third
+272,3.36,96,3.583988647299284e+17,4.88,1.5851452198650557,152.0,Unknown,Base,1,0.1312035188710281,0.09462848888132411,6.18,2.436969172958681,2.0843772906581184,1.9882269657373601,1.9578921081965417,1.9476393969842265,1.9439699144820275,1.9430855409429637,1.9424189899843427,1.9423125222104092,1.9425478915377044,2.87,0.9984845864793408,0.8221886453290593,0.7741134828686802,0.758946054098271,0.7538196984921134,0.7519849572410139,0.751542770471482,0.7512094949921715,0.7511562611052047,0.7512739457688523,1.81,3.6815154135206596,3.857811354670941,3.90588651713132,3.9210539459017295,3.926180301507887,3.928015042758987,3.9284572295285187,3.9287905050078296,3.9288437388947965,3.9287260542311486,third
+280,9.87,92,4.35402182860301e+16,2.23,0.8020015854720274,174.7,Unknown,Enzyme,1,0.29885494294555215,0.19844214039463082,7.58,6.130676013850934,5.156136670473995,4.503393591748625,4.063239268583942,3.7684935161169726,3.570710674688197,3.4365983084659324,3.347874811738773,3.288099944183637,3.2475003854104014,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.35,1.7993239861490664,2.7738633295260056,3.4266064082513754,3.8667607314160586,4.161506483883028,4.359289325311804,4.493401691534069,4.5821251882612275,4.641900055816363,4.682499614589599,first
+272,8.16,95,3.516413066706985e+17,2.39,0.8712933659434193,30.3,Unknown,Base,0,0.2003202236437019,0.15016098351050913,5.07,1.9394032432469657,1.1974477080813302,0.8667001045887384,0.678290973080343,0.5578970624794882,0.47317470914343246,0.4114497098782891,0.3636134697231944,0.32567212057896616,0.29491079577230966,4.31,4.31,4.31,4.31,4.31,4.31,4.31,4.31,4.31,4.31,4.31,4.77,6.335298378376517,6.706276145959335,6.871649947705631,6.965854513459829,7.026051468760255,7.068412645428284,7.099275145060855,7.123193265138403,7.142163939710517,7.157544602113846,second
+271,12.42,100,4.609348315858506e+17,2.58,0.9477893989335261,103.1,Linear,Acid,0,0.02444378576631532,0.021337261624014645,2.14,1.7249688274910964,1.4919309702207952,1.3284154082597421,1.2098132731706244,1.117363635913993,1.0435182266303105,0.983323277532222,0.9325862009865464,0.8884037520216569,0.8499220580713279,4.41,4.41,4.41,4.41,4.41,4.41,4.41,4.41,4.41,4.41,4.41,1.58,1.7183437241696344,1.7960230099264014,1.8505281972467524,1.8900622422764586,1.9208787880286688,1.945493924456563,1.9655589074892592,1.9824712663378177,1.9971987493261143,2.0100259806428906,third
+273,8.63,96,4.990277655008713e+17,3.31,1.1969481893889715,34.5,Unknown,Enzyme,1,0.2134205554660226,0.16866580282846363,9.17,8.2255362571339,7.529824714900351,7.015498543776277,6.638670753111567,6.3630744394533645,6.157572307630943,6.005767027926895,5.8953592018137035,5.814377377407912,5.753744047909669,2.11,2.11,2.11,2.11,2.11,2.11,2.11,2.11,2.11,2.11,2.11,3.48,4.4244637428661,5.120175285099649,5.634501456223723,6.011329246888433,6.286925560546636,6.492427692369057,6.644232972073105,6.754640798186297,6.835622622592088,6.896255952090331,first
+275,8.24,94,3.600432617602425e+17,3.76,1.324418957401803,94.6,Unknown,Acid,0,0.502296498614209,0.3966793418232855,1.64,0.7105984600804403,0.4530150001892272,0.33225181518169944,0.26255893251798834,0.21687538147782526,0.184923730890669,0.16093469518925574,0.1426095879399853,0.1280893231328697,0.11613620605578429,0.66,0.66,0.66,0.66,0.66,0.66,0.66,0.66,0.66,0.66,0.66,3.22,3.6847007699597802,3.813492499905387,3.8738740924091504,3.9087205337410063,3.931562309261088,3.947538134554666,3.959532652405372,3.9686952060300076,3.9759553384335655,3.981931896972108,second
+275,8.37,93,3.77566253359241e+16,3.1,1.1314021114911006,58.8,Branched,Acid,0,0.0815736019623361,0.04699206815250016,6.42,5.869824359417362,5.523089020857805,5.293425007094687,5.137474574039551,5.027970138686248,4.950992420725444,4.8958498151320775,4.856051047978882,4.827438603625228,4.806580946179729,1.67,1.1198243594173618,0.7730890208578047,0.5434250070946864,0.38747457403955055,0.27797013868624765,0.20099242072544363,0.1458498151320777,0.10605104797888176,0.07743860362522811,0.05658094617972788,3.7,4.250175640582638,4.596910979142195,4.826574992905313,4.982525425960449,5.092029861313752,5.169007579274556,5.224150184867923,5.263948952021118,5.292561396374772,5.3134190538202715,second
+276,1.57,98,3.440086250278198e+17,2.89,1.0612565021243408,35.6,Linear,Base,0,0.09745792118694184,0.0793272150437903,2.3,2.2220336630504463,2.1440673261008927,2.066100989151339,1.9881346522017858,1.9101683152522322,1.8322019783026786,1.7542356413531253,1.6762693044035717,1.5983029674540183,1.520336630504465,4.09,4.09,4.09,4.09,4.09,4.09,4.09,4.09,4.09,4.09,4.09,4.45,4.527966336949554,4.605932673899107,4.683899010848661,4.7618653477982145,4.839831684747768,4.917798021697322,4.995764358646875,5.073730695596428,5.151697032545981,5.229663369495535,zero
+271,13.77,92,4.730947192376033e+17,4.46,1.4951487660319727,82.7,Linear,Acid,0,0.874006627949626,0.7216193528565881,8.14,0.4982313273432379,0.2979058133398664,0.21640622277126687,0.17114497617319838,0.1421662919018392,0.12172197289213184,0.10656138349560516,0.09494858603359566,0.08559173694393644,0.07793513365800642,4.85,1.0291156636716179,0.9289529066699322,0.8882031113856325,0.8655724880865981,0.8510831459509185,0.8408609864460649,0.8332806917478015,0.8274742930167968,0.8227958684719672,0.8189675668290021,2.3,6.120884336328382,6.221047093330068,6.261796888614367,6.284427511913401,6.2989168540490805,6.309139013553935,6.316719308252198,6.322525706983203,6.327204131528033,6.331032433170997,third
+279,7.98,90,2.3633927165950774e+17,1.16,0.14842000511827322,112.4,Unknown,Base,1,3.3345977351074567,1.8443321849564664,9.69,4.128118252579874,4.04061673054389,4.036906292134491,4.036072972144301,4.036635218055531,4.0418694910409645,4.041528210251943,4.036725666746379,4.037428421968505,4.040011375685851,2.77,2.77,2.77,2.77,2.77,2.77,2.77,2.77,2.77,2.77,2.77,1.65,7.211881747420124,7.299383269456108,7.303093707865507,7.303927027855697,7.303364781944467,7.298130508959034,7.298471789748055,7.303274333253619,7.302571578031493,7.299988624314147,first
+279,13.7,94,2.741357114230178e+17,2.61,0.959350221334602,151.9,Unknown,Acid,0,0.6895446563663032,0.46427989117390167,2.51,1.4452812103297856,0.8326966422624044,0.47978246667618685,0.2764800567263672,0.1594825854222366,0.09180297658572627,0.052986665087395246,0.03049375980796121,0.017597212652362946,0.010137672521299837,3.32,3.32,3.32,3.32,3.32,3.32,3.32,3.32,3.32,3.32,3.32,1.79,1.79,1.79,1.79,1.79,1.79,1.79,1.79,1.79,1.79,1.79,first
+270,5.67,92,2.7971487994848435e+17,3.98,1.3812818192963463,52.8,Ring,Acid,0,0.44422481266456143,0.31298449468504647,5.93,1.139876171486247,0.6311514914816566,0.4363490189458606,0.3331614626640776,0.2696004913731764,0.2263353183456509,0.19522275283253568,0.1714027343862137,0.15284309650301856,0.13792368249238024,0.34,0.34,0.34,0.34,0.34,0.34,0.34,0.34,0.34,0.34,0.34,2.28,4.675061914256876,4.929424254259171,5.026825490527069,5.078419268667961,5.1101997543134114,5.131832340827175,5.1473886235837325,5.159298632806893,5.16857845174849,5.17603815875381,second
+272,3.22,97,1.4054953075619696e+17,1.23,0.20701416938432612,78.1,Branched,None,0,0.033064518603852115,0.027889905870428396,5.16,5.025299049450829,4.8941144461126305,4.766354210012322,4.641928967463681,4.520751948662408,4.4027384635684585,4.287805899221781,4.175873719742317,4.066863466329998,3.960698757264754,3.13,3.13,3.13,3.13,3.13,3.13,3.13,3.13,3.13,3.13,3.13,0.81,0.9447009505491716,1.0758855538873693,1.2036457899876785,1.3280710325363194,1.449248051337592,1.5672615364315414,1.6821941007782188,1.7941262802576836,1.9031365336700017,2.0093012427352464,first
+277,10.42,99,1.9300808924422253e+17,3.32,1.199964782928397,186.9,Ring,Base,0,0.04132408053522011,0.02295376755135106,9.28,8.978225720846691,8.686264785165239,8.403797745525463,8.130514998618219,7.866119293204841,7.610322412386366,7.362844750086061,7.123415311049424,6.891771710844188,6.667660175860312,4.39,4.39,4.39,4.39,4.39,4.39,4.39,4.39,4.39,4.39,4.39,4.89,5.191774279153308,5.483735214834759,5.7662022544745355,6.039485001381778,6.303880706795157,6.559677587613632,6.807155249913937,7.046584688950574,7.27822828915581,7.502339824139686,first
+280,1.86,98,3.3461562545986076e+16,4.08,1.4060969884160703,76.0,Linear,None,1,0.017448653473072635,0.00965528210887705,4.71,4.658485865377494,4.608076697059956,4.558748793270236,4.510478934698988,4.463244445715271,4.417023146770932,4.371793309100514,4.327533654721254,4.284223356433081,4.241842037818621,0.92,0.92,0.92,0.92,0.92,0.92,0.92,0.92,0.92,0.92,0.92,1.77,1.8215141346225059,1.871923302940044,1.921251206729764,1.9695210653010111,2.0167555542847286,2.0629768532290678,2.1082066908994856,2.1524663452787465,2.195776643566919,2.2381579621813783,first
+273,7.71,92,1.0675178206006114e+17,4.15,1.423108334242607,162.0,Linear,None,1,0.26598492435357873,0.22417020933589588,6.57,2.089186467506228,1.6656787914853444,1.5825658770058388,1.5647381393037003,1.5608291526739855,1.5594585889378114,1.5597477898394312,1.5588475188510977,1.5600052839283207,1.5596700350345805,1.04,1.04,1.04,1.04,1.04,1.04,1.04,1.04,1.04,1.04,1.04,0.38,2.6204067662468864,2.832160604257328,2.873717061497081,2.8826309303481503,2.8845854236630077,2.8852707055310947,2.885126105080285,2.8855762405744514,2.88499735803584,2.88516498248271,second
+280,8.59,100,2.267553933214386e+17,2.99,1.095273387402595,198.8,Branched,Acid,1,0.050078957438800274,0.02577730992449326,6.18,4.223425056850811,3.2709294031728464,2.7215562715538733,2.373756685899018,2.143421743449386,1.981188491137852,1.8669696460122136,1.7840981475050928,1.722324536606237,1.6764612090857676,4.61,4.61,4.61,4.61,4.61,4.61,4.61,4.61,4.61,4.61,4.61,2.25,3.2282874715745944,3.704535298413577,3.9792218642230632,4.153121657050491,4.268289128275306,4.349405754431073,4.406515176993892,4.447950926247453,4.478837731696881,4.501769395457115,second
+277,8.36,97,9.645407386115787e+16,2.98,1.091923300517313,122.0,Linear,Acid,0,0.0492161117532781,0.026681206182253534,5.83,5.262452672797469,4.84246171711957,4.520131032238763,4.268642306272841,4.068082370921684,3.9030549873140736,3.766514738845447,3.6530930206689365,3.557972139213479,3.4770969806226586,2.9,2.3324526727974693,1.91246171711957,1.5901310322387632,1.3386423062728405,1.1380823709216843,0.9730549873140738,0.836514738845447,0.7230930206689368,0.6279721392134789,0.5470969806226585,3.07,3.6375473272025305,4.057538282880429,4.379868967761237,4.631357693727159,4.8319176290783155,4.996945012685925,5.1334852611545525,5.2469069793310625,5.34202786078652,5.422903019377341,second
+270,10.09,93,2.2446608410615206e+17,3.07,1.1216775615991057,92.0,Linear,Acid,1,0.22833335399933322,0.14900268051601329,8.51,3.934215110746934,3.8889786550129113,3.887599486757865,3.887443812882299,3.887951238783534,3.887809154295158,3.887660945664586,3.8877624165814284,3.8880742128326267,3.8880732044387214,2.5,0.2121075553734673,0.18948932750645622,0.18879974337893293,0.18872190644115006,0.18897561939176732,0.18890457714757944,0.18883047283229354,0.18888120829071464,0.18903710641631377,0.18903660221936128,2.06,4.347892444626532,4.370510672493543,4.371200256621066,4.371278093558849,4.371024380608231,4.371095422852419,4.371169527167705,4.371118791709285,4.370962893583686,4.3709633977806375,third
+270,9.37,96,5.031553359943531e+16,4.56,1.5173226235262947,30.1,Ring,Acid,1,0.013449770005962666,0.007536121355129563,8.36,6.350488667924611,5.517163932505247,5.05215342569191,4.7559824362873995,4.55209314765176,4.405793960536687,4.295979257748294,4.2129481434029525,4.1489595858861135,4.098380647138762,2.4,1.3952443339623055,0.9785819662526241,0.7460767128459551,0.5979912181437,0.49604657382588035,0.422896980268344,0.3679896288741475,0.3264740717014766,0.29447979294305715,0.26919032356938133,2.22,3.2247556660376944,3.6414180337473763,3.873923287154045,4.0220087818563,4.123953426174119,4.197103019731656,4.252010371125852,4.293525928298523,4.325520207056943,4.350809676430618,third
+271,6.33,93,1.8826508937677162e+17,3.09,1.128171090909654,157.1,Linear,Acid,0,0.2231421996592421,0.18688481796467246,1.17,0.9787175197175355,0.8187118247695524,0.6846012114903706,0.572270387664752,0.4785962284026994,0.40063120179429823,0.335600885370076,0.2809245569492516,0.2349959714142464,0.1965784055981796,2.0,2.0,2.0,2.0,2.0,2.0,2.0,2.0,2.0,2.0,2.0,0.58,0.58,0.58,0.58,0.58,0.58,0.58,0.58,0.58,0.58,0.58,first
+273,8.85,99,2.919839779584424e+17,0.85,-0.16251892949777494,99.4,Branched,Acid,0,0.03329988949879775,0.023934711408323765,4.86,4.732239348850034,4.607837298284825,4.486705555537241,4.36875802159695,4.253911052739118,4.142083314322115,4.033195468272726,3.9271701728956043,3.823932082873277,3.7234078492661364,3.88,3.88,3.88,3.88,3.88,3.88,3.88,3.88,3.88,3.88,3.88,0.31,0.31,0.31,0.31,0.31,0.31,0.31,0.31,0.31,0.31,0.31,first
+280,5.26,96,1.6257110658277104e+17,3.36,1.2119409739751128,139.7,Unknown,Base,1,0.20015991563454646,0.15704319815844828,8.45,2.7115448292098625,2.103397644207654,1.9699940957062478,1.9364312754602588,1.9276775155821195,1.9260145421080688,1.9249000664745983,1.9253261489128688,1.9248807003739181,1.9250923779359683,1.69,1.69,1.69,1.69,1.69,1.69,1.69,1.69,1.69,1.69,1.69,1.46,4.329227585395069,4.633301177896173,4.7000029521468765,4.716784362269871,4.72116124220894,4.721992728945965,4.722549966762701,4.722336925543566,4.722559649813041,4.722453811032016,second
+272,6.68,91,1.0706208159887277e+17,3.51,1.2556160374777743,74.5,Unknown,None,1,0.35763894785183314,0.18145056970765155,1.14,1.1504670857555461,1.1495980500896192,1.1513061418278008,1.1515451284765967,1.151694828300728,1.1515740686897207,1.1527817184783191,1.1508480578864144,1.1509404751837504,1.1514283522191564,3.45,3.45,3.45,3.45,3.45,3.45,3.45,3.45,3.45,3.45,3.45,2.62,2.6147664571222267,2.61520097495519,2.614346929086099,2.6142274357617015,2.6141525858496357,2.6142129656551396,2.61360914076084,2.6145759710567926,2.6145297624081247,2.6142858238904214,second
+278,1.48,92,3.586047002804263e+17,1.18,0.16551443847757333,66.6,Unknown,None,1,1.8522854022187478,1.3524751806673763,6.35,1.4342252898329169,1.4348533447662994,1.435477493196359,1.4361423380188814,1.4366213103501255,1.4366277532288414,1.4363172212139363,1.43588662558898,1.4354246603428307,1.4351573332018321,3.9,1.4421126449164592,1.4424266723831505,1.4427387465981805,1.4430711690094415,1.443310655175064,1.4433138766144218,1.4431586106069691,1.4429433127944913,1.4427123301714166,1.4425786666009173,1.61,4.067887355083541,4.06757332761685,4.067261253401821,4.066928830990561,4.066689344824939,4.066686123385581,4.0668413893930335,4.067056687205511,4.067287669828586,4.067421333399085,third
+279,11.06,93,2.7044757867069664e+17,3.27,1.184789984909162,88.6,Ring,None,0,1.046905723660778,0.5312539588232981,7.36,3.1832453023527165,1.379468349492125,0.5975890462008357,0.25898203211733184,0.11224512606098505,0.0486345235062014,0.021056500953422798,0.009114489853017816,0.00394652720799283,0.0017116163252303028,2.8,2.8,2.8,2.8,2.8,2.8,2.8,2.8,2.8,2.8,2.8,3.59,3.59,3.59,3.59,3.59,3.59,3.59,3.59,3.59,3.59,3.59,first
+275,7.45,91,2.222721430332611e+17,3.59,1.2781522025001875,130.8,Linear,Enzyme,0,1.1517110064197194,0.6070158526488142,8.09,0.4257990355016953,0.3010843943355855,0.2460074823994401,0.2129938817530368,0.19059527458024406,0.17388826455911116,0.16106878483219483,0.15072038049558248,0.14206366494895872,0.13474587337589206,4.67,4.67,4.67,4.67,4.67,4.67,4.67,4.67,4.67,4.67,4.67,2.12,4.674733654832768,4.716305201888138,4.7346641725335195,4.745668706082321,4.7531349084732515,4.758703911813629,4.762977071722601,4.7664265398348045,4.769312111683679,4.771751375541368,third
+271,5.18,92,2.6221169076209405e+17,1.39,0.3293037471426003,113.7,Ring,None,0,0.48441622012028634,0.3802419904079099,5.7,0.6525089299741971,0.46329133815122114,0.37850632475127705,0.32799405248918556,0.2934498188900524,0.26808486516765156,0.2480791956065286,0.2320730237835822,0.21893845929887223,0.2077561054324267,3.21,3.21,3.21,3.21,3.21,3.21,3.21,3.21,3.21,3.21,3.21,0.08,1.7624970233419341,1.8255695539495929,1.8538312250829077,1.8706686491702713,1.8821833937033157,1.8906383782774494,1.8973069347978238,1.9026423254054725,1.9070205135670424,1.9107479648558576,third
+274,9.55,91,1.2529994835898581e+17,3.68,1.3029127521808397,45.9,Branched,None,0,0.5614659898516537,0.4833350054171089,3.75,2.3928511911589903,1.526825020943206,0.9739165926590192,0.6225399725190301,0.39694870689373885,0.25379801360356957,0.1617988455156932,0.10344969857164418,0.06599925609173907,0.042148705117710385,1.7,1.7,1.7,1.7,1.7,1.7,1.7,1.7,1.7,1.7,1.7,4.94,6.29714880884101,7.163174979056795,7.716083407340982,8.067460027480971,8.293051293106263,8.436201986396432,8.528201154484307,8.586550301428357,8.624000743908262,8.64785129488229,first
+277,9.34,98,4.2264773281260026e+17,4.68,1.5432981099295553,149.4,Branched,None,1,0.13969657225339197,0.10225425944545147,1.15,1.5618657354213672,1.79665688572328,1.9043268795962676,1.948084226773086,1.964777564544274,1.9712894657589117,1.973391546406388,1.974555847086229,1.974684116161262,1.974787631170181,0.12,0.32593286771068364,0.44332844286164,0.4971634397981339,0.5190421133865432,0.5273887822721371,0.530644732879456,0.5316957732031942,0.5322779235431147,0.5323420580806312,0.5323938155850907,3.25,3.0440671322893165,2.9266715571383597,2.872836560201866,2.850957886613457,2.842611217727863,2.839355267120544,2.838304226796806,2.8377220764568856,2.837657941919369,2.8376061844149096,third
+280,8.71,96,2.230456068464167e+17,1.38,0.3220834991691132,86.3,Branched,Acid,0,0.2746170016767688,0.2214149242640836,7.8,2.810737854736559,2.611624223822423,2.5718921866429425,2.5628025059297714,2.560664789006605,2.560157291737547,2.5600371470500995,2.5600087318885296,2.5600024500398777,2.5600006221990315,2.62,0.12536892736827993,0.02581211191121216,0.005946093321471702,0.00140125296488624,0.00033239450330290604,7.864586877390231e-05,1.8573525050200183e-05,4.36594426541109e-06,1.2250199393922984e-06,3.1109951644003533e-07,2.32,4.814631072631721,4.914187888088788,4.934053906678529,4.9385987470351145,4.939667605496698,4.9399213541312275,4.939981426474951,4.939995634055736,4.939998774980062,4.9399996889004845,third
+280,11.66,98,2.1843968927021702e+17,0.77,-0.2613647641344075,133.3,Branched,Acid,0,0.11390617032912259,0.05814780910943339,6.71,6.618875063736702,6.5277501274734036,6.436625191210105,6.345500254946807,6.254375318683509,6.163250382420211,6.072125446156913,5.981000509893615,5.8898755736303166,5.798750637367019,4.5,4.5,4.5,4.5,4.5,4.5,4.5,4.5,4.5,4.5,4.5,2.39,2.4811249362632983,2.572249872526596,2.6633748087898943,2.7544997450531925,2.8456246813164903,2.9367496175797885,3.0278745538430867,3.1189994901063844,3.210124426369683,3.301249362632981,zero
+271,1.85,94,3.0617899272577664e+17,1.84,0.6097655716208943,137.2,Branched,Base,0,0.2328265990990345,0.19311155769998115,8.09,6.3983960843283,5.970682140147778,5.8370748130847625,5.792741800174626,5.777749192848237,5.772645285746847,5.770903629510389,5.7703087269634015,5.770105437674197,5.770036291527721,2.32,0.6283960843283007,0.20068214014777858,0.06707481308476372,0.02274180017462626,0.007749192848237696,0.0026452857468480546,0.0009036295103896399,0.00030872696340222204,0.00010543767419809798,3.629152772165204e-05,4.51,6.2016039156717,6.629317859852222,6.762925186915237,6.807258199825374,6.822250807151763,6.827354714253152,6.82909637048961,6.829691273036598,6.829894562325802,6.829963708472278,second
+279,6.91,92,4.0861843447046445e+17,4.04,1.3962446919730587,111.5,Branched,Acid,1,2.4342777303258654,1.5207672382504058,6.71,4.407771867864709,4.31073319318303,4.306220832425964,4.303907393284383,4.305697450217552,4.306343003354534,4.306765270453775,4.309248760385772,4.311938879575733,4.310710407146945,0.19,0.19,0.19,0.19,0.19,0.19,0.19,0.19,0.19,0.19,0.19,4.49,6.79222813213529,6.889266806816969,6.893779167574035,6.896092606715616,6.894302549782448,6.893656996645466,6.893234729546224,6.890751239614227,6.8880611204242665,6.889289592853054,first
+270,3.84,94,3.6968998887722125e+17,1.52,0.41871033485818504,169.5,Linear,Acid,0,0.24087276561943705,0.213279094042605,5.51,4.544252841205859,3.7478007781965132,3.0895206519811507,2.5461671675450837,2.099806271474402,1.7335989283040039,1.4317970551520167,1.181026252404775,0.9740268310678553,0.8033329212025526,0.16,0.16,0.16,0.16,0.16,0.16,0.16,0.16,0.16,0.16,0.16,1.07,1.07,1.07,1.07,1.07,1.07,1.07,1.07,1.07,1.07,1.07,first
+278,2.07,94,1.7082326641454752e+17,3.5,1.252762968495368,171.5,Ring,None,1,0.3713954672753885,0.2726095958717772,7.31,1.9756383840297582,1.9297481947091193,1.9283674990983908,1.928351847488556,1.9278100734158612,1.9265932478180816,1.9265844409258577,1.9275964915943464,1.9278896608358864,1.9282584675277465,3.55,0.8828191920148788,0.8598740973545593,0.8591837495491951,0.8591759237442776,0.8589050367079303,0.8582966239090405,0.8582922204629285,0.8587982457971729,0.8589448304179429,0.859129233763873,1.66,4.327180807985121,4.35012590264544,4.350816250450804,4.350824076255722,4.351094963292069,4.351703376090959,4.351707779537071,4.351201754202827,4.3510551695820565,4.350870766236127,third
+275,3.02,96,2.2150003388121238e+17,4.36,1.472472057360943,191.8,Ring,Acid,1,0.12884787158281194,0.07812013448554118,1.45,1.149641191077078,0.9755892776590243,0.8668551754470168,0.7952979159870296,0.7469670055772284,0.713923969834602,0.6903563395308233,0.6738400040671999,0.6623174110982528,0.6539023682843945,3.13,3.13,3.13,3.13,3.13,3.13,3.13,3.13,3.13,3.13,3.13,0.25,0.40017940446146094,0.48720536117048785,0.5415724122764916,0.5773510420064852,0.6015164972113858,0.618038015082699,0.6298218302345883,0.6380799979664,0.6438412944508736,0.6480488158578027,second
+276,9.89,98,2.977690985089205e+17,1.56,0.44468582126144574,156.0,Branched,Acid,0,0.08435822599518332,0.06938662409071707,4.7,4.632513419203853,4.565026838407706,4.4975402576115595,4.4300536768154135,4.362567096019267,4.29508051522312,4.227593934426973,4.160107353630826,4.09262077283468,4.025134192038532,1.44,1.44,1.44,1.44,1.44,1.44,1.44,1.44,1.44,1.44,1.44,4.11,4.177486580796147,4.244973161592294,4.312459742388441,4.379946323184587,4.447432903980734,4.514919484776881,4.582406065573028,4.6498926463691745,4.7173792271653205,4.784865807961468,zero
+276,2.03,90,3.121631894589892e+17,4.83,1.5748464676644813,89.1,Branched,None,0,2.8888947582857254,2.582608096764444,8.7,1.1081375771905646,1.0818173671139002,1.0801226081162794,1.0800080814795445,1.0800007152634272,1.0800000171840958,1.0799980189540006,1.0800018262196167,1.0800018015117572,1.0800003808461567,3.81,0.01406878859528323,0.0009086835569509758,6.13040581405368e-05,4.04073977315408e-06,3.5763171450052493e-07,8.592048848762923e-09,-9.90522998737343e-07,9.131098092889266e-07,9.007558795400549e-07,1.9042307928596116e-07,0.37,4.1659312114047164,4.179091316443049,4.17993869594186,4.179995959260228,4.179999642368286,4.179999991407952,4.180000990522999,4.179999086890191,4.179999099244121,4.179999809576921,third
+280,4.88,97,1.778334639642471e+17,2.65,0.9745596399981308,196.0,Linear,Acid,0,0.1424912551486294,0.0806211197709911,7.64,7.427111193506135,7.3378735262542225,7.299497704847911,7.282864060625492,7.2756192040658485,7.272456076840545,7.271073073967544,7.27046834924593,7.270204459276842,7.270089731994313,0.37,0.15711119350613484,0.0678735262542226,0.029497704847910866,0.012864060625491693,0.0056192040658478,0.002456076840543908,0.0010730739675444045,0.0004683492459294351,0.00020445927684192188,8.973199431207031e-05,2.92,3.132888806493865,3.222126473745777,3.2605022951520892,3.2771359393745083,3.284380795934152,3.287543923159456,3.288926926032455,3.2895316507540704,3.289795540723158,3.2899102680056878,second
+280,4.37,100,4.196708880836555e+17,3.86,1.3506671834767394,194.3,Branched,Enzyme,0,0.09268436897927523,0.061233622643333166,5.48,5.405852504816581,5.33170500963316,5.25755751444974,5.18341001926632,5.1092625240829,5.0351150288994795,4.960967533716059,4.8868200385326395,4.812672543349219,4.738525048165799,3.33,3.33,3.33,3.33,3.33,3.33,3.33,3.33,3.33,3.33,3.33,2.99,3.0641474951834202,3.1382949903668407,3.212442485550261,3.286589980733681,3.360737475917101,3.4348849711005216,3.5090324662839416,3.583179961467362,3.657327456650782,3.731474951834202,zero
+272,11.93,90,2.2085443478141293e+17,2.98,1.091923300517313,122.0,Unknown,Base,0,1.1480513230148188,0.8958808305126347,3.69,0.4240651954487808,0.3008211118735358,0.24583960701261912,0.21319189982010814,0.1905907001452655,0.1741069363900898,0.1612498363043702,0.15080108786353325,0.14216979432176352,0.13486660484371293,1.01,1.01,1.01,1.01,1.01,1.01,1.01,1.01,1.01,1.01,1.01,1.14,2.228644934850407,2.269726296042155,2.2880534643291273,2.2989360333932978,2.3064697666182457,2.3119643545366375,2.3162500545652107,2.3197329707121566,2.322610068559413,2.3250444650520965,third
+274,2.52,96,4.572406205088127e+17,0.65,-0.4307829160924542,52.9,Ring,Base,0,0.22818972248326938,0.14272461433161784,7.51,6.256886949744793,5.212747345963135,4.3412287742999265,3.615648855134188,3.0130389403177174,2.51225981018575,2.0940506616206047,1.7445718133816153,1.4535012851482305,1.2110303553482042,2.71,2.71,2.71,2.71,2.71,2.71,2.71,2.71,2.71,2.71,2.71,3.68,4.933113050255208,5.977252654036866,6.848771225700075,7.574351144865812,8.176961059682283,8.677740189814251,9.095949338379395,9.445428186618384,9.73649871485177,9.978969644651796,first
+277,5.89,95,2.7699800333951792e+17,0.93,-0.07257069283483537,145.0,Ring,Base,0,0.3368390235849047,0.30307227071408843,8.38,6.4004163603001905,4.88857603523498,3.7306097765991986,2.8485125969071596,2.179109184378707,1.6657082340490592,1.2712485425835713,0.9711988188045625,0.7428862822932218,0.5674953456504699,2.97,2.97,2.97,2.97,2.97,2.97,2.97,2.97,2.97,2.97,2.97,0.71,0.71,0.71,0.71,0.71,0.71,0.71,0.71,0.71,0.71,0.71,first
+278,1.23,100,3.758231914338745e+17,3.46,1.2412685890696329,140.6,Unknown,None,1,0.06093490030990049,0.05415093542121779,5.57,4.885716414717025,4.434306310191307,4.122849746498927,3.902207961306595,3.7400233633359448,3.620582385817169,3.531621444080755,3.4637852731754677,3.4122274729590263,3.372867297443255,3.37,2.6857164147170245,2.234306310191306,1.9228497464989267,1.7022079613065948,1.5400233633359444,1.420582385817169,1.3316214440807548,1.2637852731754669,1.2122274729590257,1.1728672974432544,1.46,2.1442835852829756,2.595693689808694,2.907150253501073,3.1277920386934053,3.2899766366640555,3.409417614182831,3.498378555919245,3.5662147268245326,3.617772527040974,3.657132702556745,second
+271,12.97,100,4.50782995955465e+17,4.36,1.472472057360943,63.3,Branched,None,1,0.02390542485653067,0.019895434117952797,9.16,6.852579129104163,5.526616128516349,4.67580133582384,4.089913293964134,3.6689591621106183,3.3591384587126654,3.1204502137501238,2.9354627638090953,2.7912282305740312,2.6764671173105663,1.81,1.81,1.81,1.81,1.81,1.81,1.81,1.81,1.81,1.81,1.81,2.12,3.273710435447918,3.9366919357418255,4.36209933208808,4.655043353017933,4.865520418944691,5.020430770643667,5.139774893124938,5.2322686180954525,5.3043858847129846,5.361766441344717,second
+271,11.94,91,5.696166320380709e+16,0.77,-0.2613647641344075,113.7,Ring,Acid,0,0.16402271559424902,0.10800409314428504,9.67,5.048438789946976,4.992182652230361,4.99008325518671,4.990003023554341,4.990000163325296,4.989999758539166,4.98999882194016,4.98999764820418,4.989997793406861,4.990001088123769,2.34,0.029219394973488324,0.0010913261151805397,4.1627593354844546e-05,1.5117771704219148e-06,8.166264737864059e-08,-1.207304176892744e-07,-5.890299204888911e-07,-1.1758979109050135e-06,-1.1032965704144036e-06,5.440618837066742e-07,3.03,5.340780605026512,5.36890867388482,5.3699583724066455,5.369998488222829,5.369999918337353,5.370000120730418,5.37000058902992,5.370001175897911,5.370001103296571,5.369999455938116,third
+271,6.15,91,4.7028326384116045e+17,3.15,1.1474024528375417,154.9,Unknown,None,0,1.354193920879022,0.835726983921479,2.62,0.13965602432484384,0.0734189493977847,0.049917503859006396,0.03787182942246447,0.030477095836284558,0.025539611159681005,0.021945238348579872,0.0192651409267383,0.01716867355461509,0.015471882886841277,4.25,3.0098280121624215,2.9767094746988922,2.964958751929503,2.9589359147112315,2.9552385479181416,2.9527698055798397,2.9509726191742893,2.9496325704633684,2.9485843367773072,2.9477359414434203,3.5,4.740171987837579,4.773290525301109,4.785041248070498,4.7910640852887685,4.794761452081858,4.79723019442016,4.799027380825711,4.800367429536632,4.801415663222693,4.80226405855658,third
+280,4.56,99,1.8603953244370934e+17,3.48,1.247032293786383,130.5,Branched,None,0,0.06313379800176665,0.051365702902617306,6.31,2.8225469172096944,2.1050648563712993,1.7511984320647418,1.5321429287209767,1.3784350888706434,1.2642827650333712,1.1736840569442448,1.1002734708810569,1.039464415285861,0.9876953093166019,3.15,1.4062734586048473,1.0475324281856497,0.870599216032371,0.7610714643604884,0.6842175444353218,0.6271413825166857,0.5818420284721225,0.5451367354405285,0.5147322076429306,0.48884765465830105,4.03,5.7737265413951535,6.132467571814351,6.309400783967629,6.4189285356395125,6.495782455564679,6.552858617483315,6.598157971527878,6.634863264559471,6.66526779235707,6.691152345341699,third
+271,9.68,100,4.2461847497796826e+17,2.14,0.7608058290337602,171.8,Ring,None,0,0.022517896942331212,0.01510583280367384,5.37,5.274129230185779,5.179970044556487,5.087491885926689,4.996664722921993,4.907459091103321,4.819846067611234,4.7337972235329,4.64928462388717,4.566280827624576,4.484758887627336,2.39,2.39,2.39,2.39,2.39,2.39,2.39,2.39,2.39,2.39,2.39,4.8,4.895870769814221,4.990029955443513,5.082508114073311,5.1733352770780066,5.262540908896679,5.350153932388766,5.4362027764671,5.52071537611283,5.603719172375424,5.685241112372664,first
+280,11.52,97,2.9230682680945e+17,1.81,0.5933268452777344,107.8,Branched,Enzyme,1,0.23421444823773668,0.131577744999675,1.91,1.958402019440256,1.9944983589930014,2.0214148292947374,2.0419603131336554,2.0573531701747987,2.0683553606780745,2.076017005771789,2.0816763874526485,2.0864544932156615,2.0900644183767243,1.66,1.66,1.66,1.66,1.66,1.66,1.66,1.66,1.66,1.66,1.66,3.93,3.881597980559744,3.8455016410069986,3.8185851707052625,3.7980396868663444,3.782646829825201,3.7716446393219254,3.763982994228211,3.7583236125473514,3.7535455067843384,3.7499355816232756,first
+273,3.86,92,4.8596732997523136e+17,1.52,0.41871033485818504,141.5,Ring,Enzyme,0,1.210846142400206,0.9912294822411538,2.58,0.4315496431616902,0.23524874261091655,0.16177250837460033,0.12337322110692502,0.09958708103629924,0.08359133612775314,0.07191609921696268,0.06318950088894205,0.05634167725863556,0.0507970188948058,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.73,1.804225178419155,1.9023756286945417,1.9391137458127,1.9583133894465374,1.9702064594818502,1.9782043319361233,1.9840419503915185,1.9884052495555289,1.991829161370682,1.9946014905525968,second
+278,2.78,92,3.246487841805149e+17,0.75,-0.2876820724517809,76.9,Ring,None,1,1.6768943723141028,1.3192398915941006,4.8,2.0785587517003297,2.0775819115526972,2.0789648488437154,2.0809398345014087,2.077717562507663,2.0787847745344665,2.0812426580738057,2.0778655529054673,2.078611902590785,2.079738731880362,4.68,4.68,4.68,4.68,4.68,4.68,4.68,4.68,4.68,4.68,4.68,4.13,5.4907206241498345,5.49120904422365,5.490517575578141,5.489530082749295,5.491141218746168,5.490607612732766,5.489378670963096,5.491067223547265,5.490694048704607,5.490130634059818,second
+276,8.65,91,2.1369618044857824e+17,0.59,-0.527632742082372,54.6,Linear,Base,0,1.2790396679909901,1.0444152074899749,5.18,0.403056687842972,0.2856496749482123,0.2332270696347922,0.20204854193680633,0.18072732728808483,0.1650908639515826,0.15275705913346105,0.14288785512623786,0.13479274926048554,0.12790674348586958,4.53,4.53,4.53,4.53,4.53,4.53,4.53,4.53,4.53,4.53,4.53,1.76,3.352314437385676,3.391450108350596,3.408924310121736,3.4193171526877313,3.426424224237305,3.431636378682806,3.4357476469555133,3.4390373816245874,3.441735750246505,3.4440310855047103,third
+276,13.5,95,3.5801940359605766e+17,4.97,1.6034198401085373,87.8,Ring,Acid,0,0.3749235401600228,0.301732211719603,6.29,4.659929005504625,3.4523951374113206,2.5552393412631673,1.8933445031590466,1.4055153577888477,1.0409326469261824,0.7708691137358316,0.5719264109967789,0.42393213262039753,0.3140810722755444,0.02,0.02,0.02,0.02,0.02,0.02,0.02,0.02,0.02,0.02,0.02,3.6,3.6,3.6,3.6,3.6,3.6,3.6,3.6,3.6,3.6,3.6,first
+275,6.34,99,4.6108225411223885e+17,1.73,0.5481214085096876,145.5,Linear,Acid,0,0.07221523725890848,0.056736476381875456,4.49,4.2379535339862455,4.0000558234109445,3.7755108425564483,3.563560628497467,3.3635084928407615,3.174693892552123,2.9964873050847043,2.8282902283790183,2.6695351808629377,2.519685701451695,0.93,0.93,0.93,0.93,0.93,0.93,0.93,0.93,0.93,0.93,0.93,3.21,3.21,3.21,3.21,3.21,3.21,3.21,3.21,3.21,3.21,3.21,first
+276,1.8,91,2.921303999568982e+17,4.69,1.545432582458188,45.1,Unknown,Enzyme,0,1.7484934404845707,1.1628659667151202,6.38,0.18107562725903203,0.09698691656993513,0.06656351677285716,0.050776703787638364,0.04105734185336471,0.0344781733975594,0.02970381853918397,0.026132023315597778,0.023307281685539468,0.021029667183437198,4.84,1.7405378136295162,1.6984934582849678,1.6832817583864288,1.6753883518938193,1.6705286709266824,1.6672390866987798,1.6648519092695921,1.6630660116577989,1.6616536408427698,1.6605148335917186,3.9,6.999462186370485,7.041506541715033,7.056718241613572,7.064611648106181,7.069471329073318,7.072760913301221,7.0751480907304085,7.076933988342201,7.078346359157231,7.079485166408282,third
+280,10.04,97,2.0719801557034963e+17,2.22,0.7975071958841882,114.6,Ring,Base,0,0.1660199640988834,0.10634709796277976,5.55,2.252239270827687,1.4115768136449618,1.0276058737350091,0.8073122238123036,0.6658605368487843,0.5656661901106271,0.4920434238607177,0.4357166352942342,0.3905226652645147,0.3538218037339522,2.17,2.17,2.17,2.17,2.17,2.17,2.17,2.17,2.17,2.17,2.17,4.82,6.468880364586156,6.889211593177519,7.081197063132495,7.191343888093848,7.2620697315756075,7.312166904944687,7.348978288069642,7.3771416823528835,7.3997386673677426,7.418089098133024,second
+271,3.78,99,8.180869938733952e+16,4.05,1.3987168811184478,103.3,Ring,Acid,0,0.006762124146299768,0.004025417632280741,1.34,1.3208503187222276,1.3022402570168266,1.2841473134016594,1.2665501548869622,1.2494287876907217,1.2327642323649715,1.2165384140603874,1.200734162526288,1.1853352121106346,1.1703262017600313,1.25,1.25,1.25,1.25,1.25,1.25,1.25,1.25,1.25,1.25,1.25,0.25,0.25957484063888625,0.2688798714915868,0.2779263432991703,0.286724922556519,0.2952856061546392,0.3036178838175143,0.3117307929698064,0.31963291873685606,0.3273323939446828,0.33483689911998443,second
+270,7.73,99,3.4656118816864474e+17,1.74,0.5538851132264376,129.5,Branched,None,0,0.024343714623200542,0.021079591652013615,4.87,3.8003469696628533,3.2625808052672314,2.9260932288594446,2.691190590729997,2.5172500804422415,2.3798044058524837,2.26913808536285,2.1781500571991046,2.1011998667315397,2.0348205670935453,1.8,1.2651734848314264,0.9962904026336155,0.828046614429722,0.7105952953649983,0.6236250402211205,0.5549022029262416,0.4995690426814249,0.45407502859955207,0.41559993336576956,0.3824102835467724,1.23,1.7648265151685734,2.0337095973663843,2.201953385570278,2.3194047046350015,2.4063749597788795,2.4750977970737584,2.530430957318575,2.5759249714004477,2.6144000666342304,2.647589716453228,third
+273,2.52,92,2.414562087911472e+17,3.26,1.1817271953786161,80.5,Ring,None,1,0.601617230088781,0.4026187415599192,8.47,2.0619343299587984,2.023216234055778,2.0233164746598793,2.0255230443669117,2.0222750926835045,2.0224808040903377,2.0249562794037392,2.0237389435657565,2.0216434041537252,2.023044991373148,0.5,0.5,0.5,0.5,0.5,0.5,0.5,0.5,0.5,0.5,0.5,2.89,6.0940328350206014,6.113391882972111,6.11334176267006,6.112238477816544,6.113862453658247,6.1137595979548305,6.11252186029813,6.1131305282171216,6.114178297923138,6.113477504313427,second
+270,6.94,91,5.6475521351624616e+16,0.54,-0.616186139423817,94.7,Linear,Base,0,0.14002839420669966,0.07817244739390679,1.74,1.6279772846346403,1.5159545692692804,1.4039318539039205,1.2919091385385608,1.1798864231732011,1.0678637078078412,0.9558409924424814,0.8438182770771216,0.7317955617117617,0.6197728463464017,2.87,2.87,2.87,2.87,2.87,2.87,2.87,2.87,2.87,2.87,2.87,3.41,3.52202271536536,3.63404543073072,3.7460681460960794,3.858090861461439,3.9701135768267988,4.082136292192159,4.194159007557518,4.3061817229228785,4.418204438288238,4.530227153653598,zero
+275,7.85,96,2.7126255680048813e+17,1.14,0.131028262406404,54.9,Linear,None,1,0.15779502364590436,0.10778914027610799,1.86,1.2221995071924623,1.1347031566834977,1.116563753952709,1.1127151787807705,1.1117445195643119,1.1112964643611194,1.1115074118946846,1.1112619141823066,1.1111392456627451,1.1119628429449144,4.57,4.57,4.57,4.57,4.57,4.57,4.57,4.57,4.57,4.57,4.57,1.76,1.9726001642691793,2.001765614438834,2.007812082015764,2.00909494040641,2.0094184934785626,2.00956784521296,2.0094975293684385,2.009579361939231,2.0096202514457517,2.009345719018362,third
+275,4.88,94,8.110078310106358e+16,3.69,1.3056264580524357,182.4,Linear,Acid,1,0.11314373497055394,0.07338366732257173,9.11,3.7759666055720706,2.7284322559012697,2.374158712977955,2.2346592925155306,2.1757324309085764,2.1500769780674216,2.1395567799125055,2.134440056877378,2.1322651387582625,2.131853265547241,0.06,0.06,0.06,0.06,0.06,0.06,0.06,0.06,0.06,0.06,0.06,3.51,6.177016697213964,6.700783872049364,6.877920643511021,6.947670353742233,6.97713378454571,6.989961510966288,6.995221610043746,6.99777997156131,6.998867430620868,6.999073367226379,second
+272,10.5,90,4.470063488081298e+17,2.78,1.0224509277025455,122.2,Ring,None,1,2.3236401417662935,1.7852687944485677,1.01,0.5495098256041567,0.5481567391818447,0.5480613149046974,0.5484216122645503,0.5476395476552876,0.5483981684640761,0.5484267461220759,0.5477317042283227,0.5485174650511561,0.5482612655423346,0.27,0.27,0.27,0.27,0.27,0.27,0.27,0.27,0.27,0.27,0.27,0.16,0.39024508719792156,0.39092163040907757,0.3909693425476512,0.39078919386772476,0.39118022617235615,0.3908009157679619,0.390786626938962,0.39113414788583856,0.3907412674744219,0.39086936722883264,second
+271,2.91,91,2.2551770231191552e+17,1.93,0.6575200029167941,178.7,Ring,Enzyme,1,0.6493845837230323,0.3538353985938018,9.76,1.4908684115321502,1.4905712278986292,1.4901261492550604,1.491695621680441,1.4930796670325939,1.491961938401843,1.490612932203238,1.4901647039545827,1.4917180943949961,1.4922748583047085,0.78,0.78,0.78,0.78,0.78,0.78,0.78,0.78,0.78,0.78,0.78,3.33,6.08637719615595,6.086476257367123,6.08662461691498,6.086101459439853,6.085640110989135,6.0860126871993865,6.086462355932254,6.086611765348473,6.0860939685350015,6.0859083805650975,third
+280,3.94,97,2.61302951071955e+17,3.84,1.3454723665996355,139.7,Branched,None,0,0.2093722106193097,0.1516490189565755,7.94,6.715480663407068,5.679424194219903,4.802423202026325,4.0615158573380015,3.4360162106625,2.907205631735396,2.458912424893762,2.079613161123359,1.7589665504152383,1.4877833384036079,2.14,2.14,2.14,2.14,2.14,2.14,2.14,2.14,2.14,2.14,2.14,1.09,2.3145193365929324,3.350575805780097,4.227576797973676,4.968484142661998,5.5939837893375,6.122794368264604,6.571087575106238,6.950386838876641,7.2710334495847615,7.542216661596393,first
+273,1.35,92,2.2883146747350464e+17,1.16,0.14842000511827322,124.8,Ring,Acid,1,0.5701611663158374,0.3390409931669715,8.85,2.2547932807124176,2.2173844139651826,2.2179330806797966,2.221828004484944,2.217036314101873,2.217178663102283,2.220174062991276,2.217693203620982,2.216304143467248,2.2177119319755194,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,4.95,8.24760335964379,8.26630779301741,8.2660334596601,8.264085997757528,8.266481842949064,8.266410668448858,8.264912968504362,8.26615339818951,8.266847928266378,8.26614403401224,second
+280,1.63,99,7.981869969981955e+16,0.69,-0.37106368139083207,188.6,Ring,None,0,0.027087026060640233,0.015301512644237358,2.31,1.775930559519909,1.503336307831035,1.3221979248247366,1.1933518414148907,1.0961971783914062,1.020522200152597,0.9581892925799078,0.9056438829388529,0.8609326183339244,0.8222391726024643,1.32,1.32,1.32,1.32,1.32,1.32,1.32,1.32,1.32,1.32,1.32,4.0,4.178023146826697,4.268887897389655,4.329267358391755,4.372216052861704,4.4046009405361986,4.429825933282468,4.450603569140031,4.46811870568705,4.483022460555359,4.495920275799179,third
+278,11.82,100,1.6285508437819846e+17,4.5,1.5040773967762742,34.1,Linear,None,1,0.02640485887442098,0.020437136779060908,9.45,2.8403269488569856,2.2216070219312316,1.9966707402208381,1.894762424134853,1.8429168165371201,1.8174629747098139,1.8029230702060337,1.7957623553694937,1.7921207818200926,1.7897951902197198,4.7,4.7,4.7,4.7,4.7,4.7,4.7,4.7,4.7,4.7,4.7,4.82,7.023224350381006,7.229464326022924,7.3044430865930545,7.338412525288383,7.355694394487627,7.364179008430063,7.3690256432646555,7.371412548210169,7.372626406059969,7.373401603260094,third
+271,6.25,90,4.713607665784786e+16,1.62,0.4824261492442928,179.1,Unknown,None,1,0.21155801248237455,0.18653867130205012,6.12,2.2993651196062173,1.7747553195524994,1.6437975633618442,1.607181752323188,1.5967499305814978,1.5930641874220175,1.592551312152873,1.5917904360157693,1.5922922877255377,1.5920554780032194,4.81,4.81,4.81,4.81,4.81,4.81,4.81,4.81,4.81,4.81,4.81,0.61,2.5203174401968913,2.78262234022375,2.8481012183190777,2.8664091238384053,2.8716250347092505,2.8734679062889907,2.8737243439235627,2.8741047819921146,2.8738538561372304,2.8739722609983898,second
+273,6.54,97,3.904948469269506e+17,4.45,1.4929040961781488,60.2,Branched,Enzyme,1,0.10749400765993611,0.05510859506210065,6.73,6.317119790534348,5.9546041288729965,5.635853569609085,5.355407683083204,5.109334967680804,4.893871409955257,4.705406035071183,4.540480906804447,4.395791127542166,4.268184838282702,4.21,4.21,4.21,4.21,4.21,4.21,4.21,4.21,4.21,4.21,4.21,3.14,3.552880209465653,3.9153958711270045,4.234146430390917,4.514592316916798,4.7606650323191975,4.976128590044744,5.164593964928819,5.329519093195554,5.474208872457835,5.6018151617173,first
+275,2.17,93,4.6757161156921965e+17,4.0,1.3862943611198906,61.5,Linear,Base,0,1.0101935803766142,0.6906774085706376,8.54,3.8065299034576094,1.6972506372786418,0.7565024969759053,0.33719457953519305,0.15039865683240794,0.06712237165755636,0.029961172490177275,0.013366424742143987,0.0059573417787724976,0.0026582939093183324,0.94,0.94,0.94,0.94,0.94,0.94,0.94,0.94,0.94,0.94,0.94,0.92,5.65347009654239,7.762749362721357,8.703497503024094,9.122805420464806,9.309601343167591,9.392877628342442,9.43003882750982,9.446633575257854,9.454042658221224,9.457341706090679,first
+270,9.8,100,4.981699133770785e+17,4.85,1.5789787049493917,153.9,Linear,Acid,0,0.02241381600436704,0.012013308425781372,3.57,2.8916525502488906,2.487952130493365,2.21120229886636,2.0068870949106006,1.847340333880876,1.7197993942444019,1.6144545576085292,1.5245622847526534,1.4472261717343733,1.379813791180751,2.02,1.6808262751244454,1.4789760652466826,1.3406011494331802,1.2384435474553006,1.1586701669404385,1.0948996971222014,1.042227278804265,0.997281142376327,0.958613085867187,0.9249068955903759,0.75,1.0891737248755546,1.2910239347533174,1.4293988505668198,1.5315564525446994,1.6113298330595616,1.6751003028777987,1.727772721195735,1.772718857623673,1.8113869141328132,1.8450931044096242,third
+273,11.27,92,2.995322860474377e+17,4.17,1.4279160358107101,188.0,Branched,None,1,0.7463207724341065,0.3955988059967472,5.1,2.506771734629969,2.381017293653228,2.371275706045829,2.370458122186568,2.369865821175416,2.371344011688729,2.370749530490259,2.369492590430503,2.370695837642072,2.371586623189953,4.08,1.4867717346299691,1.361017293653228,1.3512757060458298,1.3504581221865681,1.3498658211754164,1.3513440116887296,1.3507495304902593,1.3494925904305037,1.3506958376420726,1.351586623189954,3.31,5.90322826537003,6.028982706346771,6.03872429395417,6.0395418778134315,6.040134178824584,6.0386559883112705,6.03925046950974,6.0405074095694955,6.0393041623579276,6.038413376810046,second
+276,5.69,93,9.344679201041512e+16,4.0,1.3862943611198906,71.4,Branched,None,0,0.23395164113568628,0.17071676362407728,9.16,2.073054924248598,1.1692747366656813,0.8140112930933666,0.6244546568265504,0.5067853620570004,0.4260603273503316,0.36757566814120196,0.32356424821919366,0.28862426516264517,0.26048412365943413,4.67,4.67,4.67,4.67,4.67,4.67,4.67,4.67,4.67,4.67,4.67,2.65,6.1934725378757,6.645362631667158,6.822994353453316,6.917772671586724,6.9766073189714986,7.016969836324834,7.046212165929399,7.068217875890403,7.085687867418677,7.099757938170283,second
+277,12.66,92,4.9620093417637286e+17,4.25,1.4469189829363254,98.4,Ring,None,1,2.219943358587984,1.3489999019355012,1.79,0.8526941762921396,0.8524846389952291,0.8527298337775766,0.8532707704520308,0.8535337796224226,0.8535135413448822,0.8529239397803909,0.8526422910236406,0.8521884911197402,0.8528943278813906,1.78,1.3113470881460698,1.3112423194976146,1.3113649168887884,1.3116353852260154,1.3117668898112114,1.3117567706724413,1.3114619698901957,1.3113211455118206,1.3110942455598704,1.3114471639406957,1.1,1.5686529118539303,1.5687576805023855,1.5686350831112117,1.5683646147739847,1.5682331101887887,1.5682432293275588,1.5685380301098044,1.5686788544881796,1.5689057544401297,1.5685528360593044,third
+271,3.66,94,3.3279914782480856e+16,3.44,1.235471471385307,106.3,Branched,Enzyme,0,0.025306926866959983,0.021640361784623932,6.3,5.019264376165178,4.1727684161317296,3.568609890823731,3.1218669310362754,2.772833276922327,2.492217294866948,2.264653747499284,2.0763511563820436,1.916015279043359,1.778070093262315,4.46,4.46,4.46,4.46,4.46,4.46,4.46,4.46,4.46,4.46,4.46,3.13,3.770367811917411,4.193615791934135,4.4956950545881345,4.719066534481862,4.893583361538836,5.033891352566526,5.147673126250358,5.241824421808978,5.321992360478321,5.390964953368843,second
+278,9.16,90,4.0988412621739315e+17,4.36,1.472472057360943,137.0,Linear,None,0,5.029853957006699,3.361190867300341,7.8,6.44999935103398,6.449999586013972,6.45000075643292,6.450001001630339,6.450000689381378,6.450000094627633,6.449998908651788,6.449999635377694,6.4500000161521225,6.450001096376972,1.35,-6.489660195358097e-07,-4.1398602756290274e-07,7.564329212763033e-07,1.001630339506175e-06,6.893813774007489e-07,9.462763251495144e-08,-1.0913482120255446e-06,-3.646223068624897e-07,1.615212341957652e-08,1.0963769715221496e-06,3.35,4.700000648966021,4.700000413986029,4.69999924356708,4.6999989983696615,4.699999310618622,4.699999905372367,4.700001091348212,4.700000364622307,4.699999983847878,4.699998903623029,second
+276,8.87,99,3.2244718151949064e+16,3.79,1.332366019094335,127.0,Branched,None,0,0.00590804262297676,0.004791276347225918,2.22,2.2152735659016187,2.2105471318032373,2.205820697704856,2.2010942636064748,2.196367829508093,2.191641395409712,2.1869149613113303,2.182188527212949,2.1774620931145674,2.172735659016186,2.84,2.84,2.84,2.84,2.84,2.84,2.84,2.84,2.84,2.84,2.84,2.5,2.5047264340983815,2.509452868196763,2.5141793022951444,2.5189057363935254,2.5236321704919074,2.5283586045902884,2.53308503868867,2.5378114727870513,2.542537906885433,2.5472643409838143,zero
+271,9.45,93,3.095766234291896e+17,3.52,1.2584609896100056,197.1,Unknown,Enzyme,0,0.3669273413554779,0.2390456988804368,8.75,8.120232937050982,8.065635814549221,8.060529802483025,8.060049813690902,8.06000488882276,8.060000636389033,8.060000249711635,8.059999699567317,8.06000008186855,8.060000331179248,0.69,0.06023293705098015,0.005635814549218365,0.0005298024830207176,4.981369090030183e-05,4.888822756864899e-06,6.363890306038473e-07,2.4971163313912847e-07,-3.004326855677939e-07,8.186854592806652e-08,3.3117924499327175e-07,1.02,1.64976706294902,1.7043641854507818,1.7094701975169793,1.7099501863090996,1.7099951111772431,1.7099993636109696,1.709999750288367,1.7100003004326856,1.709999918131454,1.709999668820755,second
+277,1.86,99,4.46558060801051e+17,3.21,1.1662709371419244,158.5,Linear,None,1,0.09561050700234698,0.05494685932567105,7.18,1.5536509464849937,1.244746551338608,1.148763031960934,1.1124170766310741,1.0974890699889936,1.0910315081675745,1.0884832145612215,1.0873946972830781,1.086788487116943,1.0866663581231863,1.05,1.05,1.05,1.05,1.05,1.05,1.05,1.05,1.05,1.05,1.05,0.2,2.075449684505002,2.178417816220464,2.2104123226796886,2.222527641122975,2.227503643337002,2.229656163944142,2.23050559514626,2.230868434238974,2.2310705042943524,2.231111213958938,third
+277,11.85,94,6.240868261446923e+16,0.73,-0.31471074483970024,171.4,Linear,None,0,0.11715755364208665,0.09819664018567177,1.09,0.9924799456005093,0.9036850352753343,0.8228199652654437,0.749156837509133,0.6820897789073525,0.6210512645035448,0.5655071870401849,0.5149568569587791,0.4689330023998666,0.427001769203018,4.32,4.32,4.32,4.32,4.32,4.32,4.32,4.32,4.32,4.32,4.32,3.2,3.2975200543994907,3.386314964724666,3.467180034734557,3.5408431624908676,3.607910221092648,3.6689487354964556,3.7244928129598156,3.7750431430412212,3.8210669976001337,3.8629982307969826,first
+278,4.59,100,6.3278015240311e+16,0.94,-0.06187540371808753,199.8,Branched,Base,0,0.010259716905083927,0.006179642670344029,6.61,3.7324282276749337,2.8769780548769064,2.425144503471723,2.1378514311414993,1.9309041289856153,1.7758078725428614,1.6534025410374744,1.5521856809279844,1.467604231793026,1.395485979915796,0.67,0.67,0.67,0.67,0.67,0.67,0.67,0.67,0.67,0.67,0.67,2.05,3.009190590775022,3.2943406483743645,3.4449518321760926,3.5407161896195003,3.609698623671462,3.661397375819046,3.7021991529875087,3.735938106357339,3.7641319227356584,3.7881713400280685,third
+273,11.09,96,2.3961563827799283e+17,3.7,1.308332819650179,168.5,Linear,Enzyme,1,0.10247706872243262,0.08571061865028767,4.09,3.8563747490880993,3.6554043480871576,3.482184107693219,3.3329713345343848,3.204860641827225,3.0950856525316532,3.0010189993509266,2.920172324731648,2.8502338167631187,2.789886051804451,4.21,4.21,4.21,4.21,4.21,4.21,4.21,4.21,4.21,4.21,4.21,1.22,1.4536252509119005,1.6545956519128424,1.827815892306781,1.9770286654656153,2.105139358172775,2.214914347468347,2.3089810006490734,2.3898276752683523,2.4597661832368813,2.520113948195549,first
+279,5.41,94,3.099772032272015e+17,2.02,0.7030975114131134,20.0,Linear,Base,1,0.7796982121415847,0.5950979826168638,3.73,2.738240348744409,2.407705421626833,2.297495875725131,2.2603901996226767,2.2483921513411134,2.2444469019717403,2.2428605285632113,2.2424627065027796,2.2425858644082646,2.242349530076397,1.74,1.74,1.74,1.74,1.74,1.74,1.74,1.74,1.74,1.74,1.74,1.45,2.441759651255591,2.7722945783731667,2.8825041242748686,2.919609800377323,2.9316078486588864,2.9355530980282594,2.9371394714367884,2.93753729349722,2.937414135591735,2.937650469923603,first
+279,12.98,93,5.741927687787532e+16,0.58,-0.5447271754416722,159.9,Unknown,None,0,0.22227068886094606,0.12331558236840302,5.75,3.2284487431468873,3.065108503203126,3.036754993580058,3.0313158327885215,3.030257999413366,3.030050187659522,3.030009652808917,3.030001861153324,3.030000793534822,3.030000163212706,1.36,0.09922437157344342,0.017554251601562668,0.0033774967900285415,0.0006579163942604059,0.0001289997066825857,2.5093829760568613e-05,4.826404457979542e-06,9.305766617165382e-07,3.9676741077674033e-07,8.160635267946845e-08,1.03,2.2907756284265566,2.3724457483984374,2.3866225032099715,2.3893420836057393,2.3898710002933172,2.389974906170239,2.3899951735955414,2.3899990694233377,2.3899996032325888,2.389999918393647,third
+276,4.17,92,6.581468483291976e+16,2.23,0.8020015854720274,177.3,Unknown,Enzyme,0,0.25476941073453024,0.18269677225719588,1.91,1.557815931340434,1.2705732422417406,1.0357598129090486,0.8443215817634907,0.6888603389625745,0.5625303688374194,0.459090697168483,0.3744078068405079,0.30538634749403193,0.24910541007001336,2.93,2.93,2.93,2.93,2.93,2.93,2.93,2.93,2.93,2.93,2.93,2.27,2.622184068659566,2.9094267577582595,3.1442401870909515,3.3356784182365096,3.4911396610374257,3.6174696311625807,3.720909302831517,3.8055921931594923,3.8746136525059685,3.930894589929987,first
+276,11.52,94,2.209741729686656e+17,2.69,0.9895411936137477,27.7,Branched,Acid,0,0.3578000846326803,0.2918534470272312,9.75,1.4864572301520704,0.8040025704235947,0.5511343677917753,0.41944487490523624,0.33856692047111303,0.2837245354991357,0.24412298844269192,0.21449380470044727,0.19105754498884617,0.17222172335861807,1.21,1.21,1.21,1.21,1.21,1.21,1.21,1.21,1.21,1.21,1.21,4.99,9.121771384923965,9.462998714788203,9.589432816104111,9.655277562547381,9.695716539764442,9.72313773225043,9.742938505778653,9.757753097649775,9.769471227505576,9.77888913832069,second
+274,10.33,91,8.214322059943466e+16,1.35,0.30010459245033816,147.6,Linear,Base,1,0.3680817531650388,0.2583680276114857,6.41,1.2508282249076468,1.2385027561787667,1.2371441195674948,1.2373741057013778,1.2385689137561253,1.2394562801926754,1.237808835365886,1.2375119004644057,1.239187429423895,1.238899918421215,0.84,0.84,0.84,0.84,0.84,0.84,0.84,0.84,0.84,0.84,0.84,0.98,2.6997239250307845,2.7038324146070782,2.7042852934775023,2.704208631432875,2.7038103620812923,2.7035145732691093,2.7040637215447054,2.704162699845199,2.703604190192036,2.7037000271929292,third
+270,10.14,97,3.507910935681619e+17,1.2,0.1823215567939546,82.8,Unknown,Enzyme,1,0.06006102180203679,0.03609209925672311,3.08,3.0635793326822993,3.054352422240429,3.048964239548195,3.045820414729666,3.044100524671619,3.0429852445227157,3.0423660927368483,3.0420826793770614,3.041867004335487,3.0417311993764446,0.14,0.13178966634114966,0.1271762111202145,0.12448211977409747,0.12291020736483303,0.12205026233580939,0.12149262226135805,0.12118304636842443,0.1210413396885309,0.1209335021677437,0.12086559968822262,1.84,1.8482103336588505,1.8528237888797856,1.8555178802259027,1.857089792635167,1.8579497376641907,1.8585073777386423,1.858816953631576,1.8589586603114694,1.8590664978322566,1.8591344003117778,third
+271,2.97,92,2.92195586649974e+17,2.81,1.0331844833456545,99.7,Ring,None,0,0.5398091946603321,0.30439118348940086,2.59,1.2400870230909624,0.8199448621637369,0.614841772496016,0.49377096505904133,0.4135637009080644,0.3567867017263824,0.31410717010029976,0.28129157906484104,0.25508365709022235,0.2335747960861768,2.55,1.2000870230909624,0.7799448621637368,0.574841772496016,0.4537709650590413,0.37356370090806434,0.31678670172638235,0.2741071701002997,0.241291579064841,0.21508365709022229,0.19357479608617673,1.11,2.4599129769090373,2.880055137836263,3.0851582275039835,3.2062290349409586,3.2864362990919354,3.3432132982736174,3.3858928298996998,3.418708420935159,3.444916342909777,3.466425203913823,second
+280,12.58,96,3.1966757154995034e+17,4.96,1.601405740736836,126.3,Branched,Enzyme,0,0.3935793727279665,0.24780731917522922,8.28,0.726449279269134,0.5143378224849531,0.42037397147374533,0.3642222826083763,0.3257953524029307,0.2973474110539243,0.27550168381964346,0.2577106956889807,0.2429227394930073,0.23041979862586937,3.81,3.81,3.81,3.81,3.81,3.81,3.81,3.81,3.81,3.81,3.81,2.34,4.857850240243622,4.928554059171683,4.959875342842085,4.978592572463874,4.991401549199023,5.000884196315358,5.008166105393451,5.014096434770339,5.01902575350233,5.023193400458043,third
+271,4.82,92,7.168502701438248e+16,3.21,1.1662709371419244,171.1,Unknown,Base,1,0.13243265288668724,0.06900584553291662,5.66,1.358283085034423,1.1307770960701455,1.070323120394898,1.0511118355074922,1.045107615494466,1.0427651302453207,1.042196989879484,1.0417098614518907,1.0419833387726636,1.0418185663877566,3.15,3.15,3.15,3.15,3.15,3.15,3.15,3.15,3.15,3.15,3.15,0.63,2.063905638321859,2.139740967976618,2.159892293201701,2.1662960548308363,2.168297461501845,2.1690782899182266,2.1692676700401723,2.169430046182703,2.1693388870757793,2.1693938112040816,third
+278,3.01,99,4.7654886358864685e+17,4.28,1.4539530095937054,142.1,Linear,Base,0,0.11909434541219135,0.1052829985673587,9.59,9.494724523670246,9.399449047340493,9.30417357101074,9.208898094680986,9.113622618351233,9.01834714202148,8.923071665691728,8.827796189361974,8.73252071303222,8.637245236702467,1.52,1.52,1.52,1.52,1.52,1.52,1.52,1.52,1.52,1.52,1.52,4.51,4.605275476329752,4.700550952659506,4.795826428989259,4.891101905319013,4.986377381648765,5.0816528579785185,5.176928334308272,5.272203810638025,5.367479286967778,5.462754763297531,zero
+276,2.68,91,2.0612058142849418e+17,0.75,-0.2876820724517809,110.3,Ring,Acid,0,1.2336972962408654,0.6464488214419597,1.72,0.7330421630073073,-0.25391567398538506,-1.240873510978078,-2.2278313479707705,-3.2147891849634624,-4.201747021956157,-5.188704858948848,-6.175662695941542,-7.162620532934234,-8.149578369926926,3.85,3.85,3.85,3.85,3.85,3.85,3.85,3.85,3.85,3.85,3.85,2.05,3.036957836992692,4.0239156739853845,5.010873510978078,5.99783134797077,6.9847891849634625,7.971747021956157,8.958704858948847,9.945662695941541,10.932620532934234,11.919578369926926,zero
+278,3.25,100,3.446398730247686e+17,1.06,0.058268908123975824,150.0,Linear,Enzyme,0,0.05587892600628947,0.0415369308288904,6.16,6.115296859194969,6.070593718389937,6.025890577584906,5.981187436779874,5.936484295974843,5.891781155169811,5.847078014364779,5.802374873559748,5.757671732754716,5.712968591949685,2.25,2.25,2.25,2.25,2.25,2.25,2.25,2.25,2.25,2.25,2.25,0.81,0.8547031408050316,0.8994062816100632,0.9441094224150948,0.9888125632201263,1.033515704025158,1.0782188448301895,1.122921985635221,1.1676251264402526,1.2123282672452842,1.2570314080503158,zero
+275,3.59,93,2.3147340074890694e+17,4.93,1.5953389880545987,23.6,Unknown,Base,1,0.5001008138191306,0.25259939534541426,7.5,1.733192576787139,1.7235996307638786,1.7238050819450403,1.7216665477751794,1.7257013936402474,1.7229394357435195,1.7246449013838898,1.722067007217,1.7244477869823698,1.7238665254940178,4.16,1.2765962883935693,1.2717998153819392,1.2719025409725202,1.2708332738875898,1.2728506968201236,1.2714697178717598,1.272322450691945,1.2710335036084999,1.272223893491185,1.271933262747009,4.59,7.473403711606429,7.478200184618059,7.478097459027479,7.4791667261124095,7.477149303179875,7.478530282128239,7.477677549308054,7.478966496391499,7.477776106508815,7.478066737252991,third
+275,10.47,94,3.637719649477406e+17,4.98,1.6054298910365616,148.5,Ring,None,1,0.5074984139237618,0.30498864776131795,3.64,3.488701687681582,3.48834771854254,3.4882074812644404,3.488123910664701,3.4886489980759046,3.4883603675141477,3.488355067019479,3.4882401266773067,3.4879492183675667,3.488442954936103,0.21,0.13435084384079113,0.13417385927127043,0.13410374063222041,0.13406195533235074,0.1343244990379524,0.13418018375707405,0.13417753350973985,0.13412006333865353,0.13397460918378354,0.13422147746805188,2.64,2.715649156159209,2.71582614072873,2.71589625936778,2.715938044667649,2.715675500962048,2.7158198162429263,2.7158224664902604,2.715879936661347,2.716025390816217,2.7157785225319486,third
+279,13.54,91,4.9462402119684026e+17,1.77,0.5709795465857378,164.8,Unknown,Base,0,4.534767945434288,4.0771170125758855,3.6,2.7400320634879933,2.7400003893445324,2.7400008469281816,2.7400009667442657,2.740000915332428,2.740000996397244,2.740001036961591,2.7400009705584254,2.7400011793299814,2.7400005151993416,0.86,3.206348799278904e-05,3.89344532606066e-07,8.469281815168702e-07,9.667442658552406e-07,9.153324279179471e-07,9.963972437854254e-07,1.036961590843794e-06,9.70558425133413e-07,1.1793299812973148e-06,5.151993415502863e-07,1.52,2.3799679365120068,2.3799996106554677,2.3799991530718185,2.3799990332557344,2.3799990846675723,2.379999003602756,2.379998963038409,2.3799990294415747,2.3799988206700187,2.3799994848006585,second
+280,2.0,90,2.964399609025025e+17,4.14,1.4206957878372228,49.8,Branched,Base,1,4.804239343868179,2.609827947430311,7.45,1.1725842085969511,1.1715856726608793,1.1705482319836462,1.169663276537035,1.1699635825677568,1.171032435684024,1.1720908060110493,1.1716679047642653,1.1706141416283382,1.1709069076170178,0.95,0.95,0.95,0.95,0.95,0.95,0.95,0.95,0.95,0.95,0.95,0.86,2.9524719304676834,2.9528047757797076,2.953150589338785,2.953445574487655,2.953345472477414,2.9529891881053247,2.9526363979963164,2.9527773650785774,2.9531286194572197,2.953031030794327,third
+274,3.99,99,2.168525124927745e+17,1.22,0.19885085874516517,35.1,Branched,Base,0,0.028998995888710796,0.018096301917622504,3.89,3.8668008032890318,3.843601606578063,3.820402409867094,3.7972032131561257,3.7740040164451574,3.7508048197341886,3.72760562302322,3.7044064263122514,3.6812072296012825,3.658008032890314,0.5,0.5,0.5,0.5,0.5,0.5,0.5,0.5,0.5,0.5,0.5,4.96,4.983199196710969,5.006398393421938,5.029597590132906,5.052796786843874,5.075995983554844,5.099195180265812,5.12239437697678,5.14559357368775,5.168792770398718,5.191991967109686,zero
+279,11.88,94,8.569478364899802e+16,4.98,1.6054298910365616,116.3,Branched,Acid,0,0.21555155961585354,0.1144489730631753,6.51,5.478862319295619,4.610971340452586,3.879229462612124,3.263624079954374,2.746982744382738,2.3134122425227504,1.9482985957220769,1.6397208930902234,1.3800046033866504,1.1614451109685286,1.94,1.94,1.94,1.94,1.94,1.94,1.94,1.94,1.94,1.94,1.94,3.23,4.2611376807043815,5.129028659547414,5.860770537387876,6.476375920045626,6.9930172556172625,7.42658775747725,7.791701404277923,8.100279106909776,8.35999539661335,8.578554889031471,first
+278,8.02,100,2.0995856507421302e+17,1.03,0.02955880224154443,180.0,Unknown,None,0,0.03404208288263119,0.018981538741810144,8.96,6.030803252457407,4.550483895731528,3.650356139815492,3.04391155149142,2.6148328617933103,2.289197837823605,2.035146880430856,1.8336935828519556,1.668601703361309,1.5295882533890242,4.32,4.32,4.32,4.32,4.32,4.32,4.32,4.32,4.32,4.32,4.32,4.16,5.624598373771297,6.364758052134237,6.814821930092255,7.118044224254291,7.332583569103345,7.495401081088198,7.622426559784572,7.723153208574023,7.805699148319346,7.875205873305489,second
+273,8.1,95,3.540817402359357e+16,0.88,-0.12783337150988489,58.1,Ring,Enzyme,1,0.023526518004115433,0.017860716951817214,1.12,1.154234833757498,1.1815991309383687,1.2033262863542615,1.2208519987634774,1.2348106237079992,1.2455471372557807,1.2535482855539586,1.2594425848288526,1.2640003213859652,1.26789724984009,2.11,2.127117416878749,2.1407995654691843,2.1516631431771303,2.1604259993817383,2.167405311853999,2.17277356862789,2.176774142776979,2.179721292414426,2.182000160692982,2.1839486249200446,4.82,4.802882583121251,4.789200434530816,4.778336856822869,4.7695740006182605,4.762594688146,4.75722643137211,4.75322585722302,4.750278707585573,4.747999839307017,4.746051375079955,third
+278,6.77,93,4.7993531846894816e+17,1.34,0.29266961396282004,71.6,Linear,Acid,1,1.6083237034485252,1.0471640834846896,8.24,1.9631163466438162,1.963093740753165,1.9615784491506687,1.9642216355892679,1.9646235182263696,1.9616154757866369,1.9630515663119819,1.9656106565079843,1.962386206569475,1.9634616712382191,2.18,2.18,2.18,2.18,2.18,2.18,2.18,2.18,2.18,2.18,2.18,2.78,5.918441826678093,5.918453129623418,5.919210775424666,5.917889182205366,5.917688240886816,5.919192262106682,5.918474216844009,5.917194671746009,5.918806896715264,5.918269164380892,second
+280,3.63,97,3.151678267071709e+17,1.88,0.6312717768418578,153.8,Ring,None,0,0.2525321062125813,0.1491597969785799,4.57,3.7340137064339913,3.050980906908214,2.4916188087668276,2.0343585058115643,1.662403627987488,1.36004107252312,1.1126400216987051,0.9090758247596009,0.7427905941764941,0.606953180657934,3.59,3.59,3.59,3.59,3.59,3.59,3.59,3.59,3.59,3.59,3.59,0.29,0.29,0.29,0.29,0.29,0.29,0.29,0.29,0.29,0.29,0.29,first
+279,13.34,91,1.6232138718208365e+17,0.7,-0.35667494393873245,94.0,Ring,Base,0,1.4881805005560116,1.1688461047621803,9.51,7.940103753144423,7.9400001291175375,7.940000231264509,7.939999132502998,7.9399993494088354,7.940000302380355,7.940000046911469,7.940001566558173,7.940000843068892,7.940000305154933,1.57,0.00010375314442430802,1.291175383773054e-07,2.312645094517806e-07,-8.674970009969255e-07,-6.505911625496503e-07,3.023803560561502e-07,4.6911469959675964e-08,1.5665581743331208e-06,8.430688935414825e-07,3.051549337433336e-07,3.21,4.779896246855577,4.779999870882462,4.7799997687354905,4.780000867497002,4.780000650591164,4.779999697619645,4.779999953088531,4.779998433441826,4.779999156931107,4.779999694845067,second
+278,6.22,94,3.789702063852087e+17,3.27,1.184789984909162,171.0,Linear,Acid,0,0.8239382130905019,0.6071537182440536,9.93,9.270849429527598,8.611698859055195,7.952548288582795,7.293397718110394,6.634247147637993,5.975096577165591,5.3159460066931885,4.656795436220786,3.9976448657483843,3.338494295275983,2.58,2.58,2.58,2.58,2.58,2.58,2.58,2.58,2.58,2.58,2.58,4.94,5.5991505704724025,6.258301140944805,6.917451711417206,7.576602281889607,8.235752852362008,8.89490342283441,9.554053993306812,10.213204563779215,10.872355134251617,11.531505704724019,zero
+275,5.92,100,8.754117253841718e+16,2.23,0.8020015854720274,39.9,Branched,Enzyme,0,0.008853434699413019,0.006896164702177738,3.33,3.283933005793274,3.2395407519617407,3.196735115383176,3.1554342270727456,3.1155627684258733,3.077049678551951,3.0398280499989148,3.0038351287532405,2.9690123142399467,2.935305159322593,1.99,1.9439330057932742,1.8995407519617409,1.8567351153831755,1.8154342270727457,1.775562768425873,1.737049678551951,1.6998280499989145,1.6638351287532402,1.6290123142399464,1.595305159322593,0.47,0.5160669942067259,0.5604592480382592,0.6032648846168245,0.6445657729272545,0.6844372315741271,0.722950321448049,0.7601719500010855,0.7961648712467597,0.8309876857600536,0.8646948406774071,second
+272,1.64,96,3.751328338654738e+17,0.55,-0.5978370007556204,142.7,Branched,Base,1,0.1373295305617102,0.07861589524184115,5.98,1.9132996543911938,1.5452772773200785,1.4396459988106267,1.4038901803055974,1.391249550801064,1.3861266335507605,1.3848014953167158,1.3837795739137397,1.3837158159385141,1.3837519611362072,3.5,1.4666498271955966,1.282638638660039,1.2298229994053131,1.2119450901527986,1.2056247754005318,1.2030633167753801,1.2024007476583578,1.2018897869568697,1.2018579079692566,1.2018759805681034,1.72,3.753350172804403,3.9373613613399607,3.990177000594686,4.008054909847201,4.014375224599467,4.016936683224619,4.017599252341642,4.01811021304313,4.018142092030743,4.018124019431896,third
+279,12.52,91,1.3707603945247902e+17,4.99,1.6074359097634274,140.4,Linear,Acid,0,1.256728349529173,1.1034874258820637,1.56,0.37860062222526514,0.21513900392638852,0.15036135925923677,0.11565275577540082,0.09380381789808086,0.07904681223071322,0.06819521790869174,0.05998574499340899,0.05359833503825988,0.04839767500693691,0.08,0.08,0.08,0.08,0.08,0.08,0.08,0.08,0.08,0.08,0.08,2.28,2.8706996888873673,2.9524304980368057,2.9848193203703817,3.0021736221123,3.0130980910509595,3.0204765938846436,3.0259023910456544,3.030007127503296,3.0332008324808704,3.0358011624965315,second
+277,13.99,94,7.980880257526275e+16,2.97,1.0885619528146082,46.7,Linear,None,1,0.1498221669985105,0.09636087891658686,9.08,8.360842479383303,7.770264932619899,7.283948668821619,6.884329021094291,6.5576857681161,6.291047858874792,6.072193412667674,5.890863361349932,5.741821823781091,5.619444177250042,3.18,3.18,3.18,3.18,3.18,3.18,3.18,3.18,3.18,3.18,3.18,3.84,4.559157520616697,5.149735067380101,5.636051331178381,6.035670978905709,6.3623142318839,6.628952141125208,6.847806587332326,7.029136638650068,7.178178176218909,7.300555822749958,first
+279,3.65,98,3.055943271850369e+17,2.86,1.0508216248317612,127.3,Ring,Enzyme,0,0.13703493424309718,0.11644790279111462,6.68,5.554139372249131,5.026866551379379,4.746774043748135,4.588502156059822,4.494965360090876,4.438989871995191,4.404803967948069,4.383896816897085,4.370975843394555,4.363016242139481,2.33,1.2041393722491307,0.6768665513793785,0.39677404374813474,0.23850215605982114,0.14496536009087452,0.08898987199519034,0.05480396794806765,0.03389681689708417,0.020975843394553363,0.013016242139479904,1.14,2.265860627750869,2.793133448620621,3.0732259562518647,3.2314978439401782,3.3250346399091253,3.3810101280048093,3.415196032051932,3.4361031831029156,3.4490241566054465,3.45698375786052,second
+270,9.04,98,9.870627325864338e+16,3.89,1.358409157630355,180.6,Ring,Acid,0,0.010824810350459306,0.008220346833678569,5.82,3.513626746146557,2.7429555182403575,2.328471556225495,2.056961092774009,1.8640246324156107,1.7150674724869526,1.5977677505723662,1.502510565149034,1.4218131887012118,1.3525521110398295,3.53,3.53,3.53,3.53,3.53,3.53,3.53,3.53,3.53,3.53,3.53,2.53,3.2987910846178146,3.555681493919881,3.6938428145915014,3.784346302408663,3.8486584558614627,3.898310842504349,3.937410749809211,3.9691631449503215,3.9960622704329287,4.019149296320056,third
+270,11.66,97,1.8733125673847738e+17,3.83,1.3428648031925547,155.7,Ring,Enzyme,0,0.03207409452938807,0.026245913190185655,2.84,1.9066862408605154,1.5274524688601798,1.3100911232614318,1.1666355698573925,1.0604866209501396,0.9796697409816345,0.9150228793113679,0.8611849394708283,0.8158861249099038,0.7770514749802306,0.79,0.79,0.79,0.79,0.79,0.79,0.79,0.79,0.79,0.79,0.79,3.24,3.5511045863798283,3.6775158437132736,3.7499696255795225,3.797788143380869,3.8331711263499537,3.8601100863394553,3.881659040229544,3.8996050201763905,3.914704625030032,3.927649508339923,third
+273,7.63,90,1.1237001187556939e+17,1.4,0.3364722366212129,27.7,Unknown,Enzyme,1,0.6757989171928251,0.3944164333950599,6.42,2.0335446038669347,2.032605171751731,2.0334513499639053,2.033662111090948,2.033840313974216,2.0332065492926716,2.0333580832984706,2.0330072761698372,2.032317572542806,2.0329928562752193,3.16,0.9667723019334674,0.9663025858758657,0.9667256749819526,0.9668310555454742,0.9669201569871083,0.966603274646336,0.9666790416492353,0.9665036380849189,0.9661587862714031,0.9664964281376097,4.64,6.8332276980665325,6.833697414124134,6.8332743250180465,6.833168944454524,6.83307984301289,6.833396725353663,6.833320958350764,6.8334963619150795,6.833841213728595,6.833503571862389,third
+275,4.06,91,4.7621985839457606e+17,1.26,0.23111172096338664,74.8,Unknown,None,1,2.4675501162851523,1.9856186070677646,8.1,7.757279494923212,7.757227955985515,7.757174749299445,7.757253795906533,7.75735033851021,7.7573562285743325,7.757158034809204,7.757145111585787,7.757226878182727,7.757271829082345,0.48,0.13727949492321276,0.13722795598551565,0.13717474929944498,0.13725379590653272,0.1373503385102094,0.13735622857433213,0.13715803480920227,0.1371451115857846,0.1372268781827249,0.1372718290823438,0.98,1.3227205050767872,1.3227720440144843,1.322825250700555,1.3227462040934672,1.3226496614897902,1.3226437714256674,1.3228419651907972,1.3228548884142148,1.3227731218172742,1.3227281709176553,second
+273,2.95,100,4.498554953186681e+17,0.96,-0.040821994520255166,29.9,Linear,Enzyme,0,0.033022824251528374,0.02225171572551943,9.69,6.41960504839458,4.796921384708428,3.8288571369517133,3.1857134268018186,2.7298924348003846,2.3849098514195357,2.1193926454879355,1.9079946504965348,1.73332225224026,1.587902388654719,2.41,2.41,2.41,2.41,2.41,2.41,2.41,2.41,2.41,2.41,2.41,2.23,3.8651974758027103,4.676539307645786,5.160571431524144,5.482143286599092,5.710053782599809,5.882545074290234,6.015303677256034,6.121002674751734,6.208338873879872,6.281048805672642,second
+273,1.9,91,4.0202935999174246e+17,3.07,1.1216775615991057,168.6,Ring,Acid,0,1.5562603300934572,1.1279349877602267,1.13,0.08671057323125617,0.045490941264145886,0.030873788375753775,0.02338564822469602,0.01881882157449093,0.015744116054638085,0.013527364976280615,0.011874991721320359,0.010570571436949245,0.009522899805700431,4.74,4.218355286615629,4.197745470632073,4.190436894187878,4.186692824112348,4.184409410787246,4.182872058027319,4.18176368248814,4.18093749586066,4.180285285718475,4.17976144990285,0.14,0.6616447133843719,0.6822545293679271,0.6895631058121231,0.6933071758876519,0.6955905892127545,0.6971279419726808,0.6982363175118595,0.6990625041393397,0.6997147142815252,0.7002385500971496,third
+271,12.73,97,2.8024861927677702e+17,3.99,1.3837912309017721,34.2,Linear,Enzyme,0,0.056277727766133594,0.0353606399809638,2.18,1.4500915662779594,1.1585725790635268,0.99260368232627,0.8831171481293535,0.8024257640127866,0.7411216257253489,0.6919268544825435,0.6510887805762529,0.6167587401233547,0.5873353699436457,3.62,3.62,3.62,3.62,3.62,3.62,3.62,3.62,3.62,3.62,3.62,4.58,4.82330281124068,4.920475806978824,4.97579877255791,5.012294283956882,5.039191411995738,5.059626124758217,5.076024381839152,5.089637073141249,5.1010804199588815,5.110888210018785,third
+271,10.35,95,6.094982161596761e+16,1.37,0.3148107398400336,46.1,Unknown,Base,0,0.029735478587717606,0.0172996502461357,2.65,1.8821495838378421,1.5352515510324785,1.3279049229712907,1.187811519074142,1.0845244871855797,1.0033003062380803,0.9385012978846139,0.8851794072848468,0.8396097025205478,0.8003122406095202,3.0,3.0,3.0,3.0,3.0,3.0,3.0,3.0,3.0,3.0,3.0,2.64,2.8959501387207194,3.011582816322507,3.08069835900957,3.1273961603086193,3.1618251709381404,3.18889989792064,3.2104995673717958,3.228273530905051,3.243463432493151,3.2565625864634935,third
+272,1.56,100,9.452727401172848e+16,1.7,0.5306282510621704,103.1,Unknown,None,1,0.0059013554960834335,0.003933189259086872,9.99,5.129108226047693,3.9101371404488767,3.299387564809263,2.91663832871747,2.6555773446785076,2.459993894949486,2.310258923602713,2.19267807421366,2.096181948187803,2.015877361818931,4.3,4.3,4.3,4.3,4.3,4.3,4.3,4.3,4.3,4.3,4.3,1.87,3.490297257984103,3.896620953183708,4.1002041450635796,4.227787223760844,4.314807551773831,4.3800020350168385,4.42991369213243,4.469107308595447,4.5012726839374,4.528040879393691,third
+274,12.56,92,2.6857162512598342e+17,4.05,1.3987168811184478,125.7,Unknown,None,1,0.7758690574337936,0.49043844005084186,3.38,1.1181570632744058,1.0610394820557605,1.0580610977301639,1.0576474358071128,1.0575670840257894,1.0587420566772423,1.059143481321304,1.059113145936846,1.0587287001671075,1.0582710960993367,0.43,0.43,0.43,0.43,0.43,0.43,0.43,0.43,0.43,0.43,0.43,0.61,1.7409214683627974,1.76948025897212,1.770969451134918,1.7711762820964436,1.7712164579871055,1.7706289716613788,1.7704282593393479,1.7704434270315772,1.7706356499164462,1.7708644519503316,second
+279,1.74,92,4.3986621451163085e+17,3.36,1.2119409739751128,186.8,Ring,Enzyme,0,2.6204312874332616,1.997654411159256,1.96,0.21339307927915535,0.1127400322625375,0.07663520590396959,0.05807803589484546,0.046742779402466045,0.03910839569911025,0.03360114093999093,0.029494649197375634,0.026253766872994303,0.023650585654269855,4.96,4.96,4.96,4.96,4.96,4.96,4.96,4.96,4.96,4.96,4.96,0.4,1.2733034603604223,1.323629983868731,1.3416823970480152,1.3509609820525772,1.356628610298767,1.3604458021504449,1.3631994295300045,1.3652526754013123,1.3668731165635029,1.3681747071728652,second
+274,2.78,94,2.122986939482273e+17,3.13,1.1410330045520618,43.2,Ring,None,1,0.254910140448644,0.22014609519942913,3.94,1.482148705389193,1.4681632478720785,1.4679691042416887,1.4687703157436514,1.4707701992003614,1.4697837753260108,1.4676605833837257,1.4684428709367643,1.4700486395392645,1.4704543843279163,1.06,1.06,1.06,1.06,1.06,1.06,1.06,1.06,1.06,1.06,1.06,2.84,3.6592837648702687,3.6639455840426405,3.6640102985861036,3.6637432280854494,3.663076600266546,3.663405408224663,3.664113138872091,3.6638523763544115,3.663317120153578,3.663181871890694,third
+276,9.28,91,3.969302142194888e+16,3.35,1.208960345836975,71.3,Unknown,None,0,0.2375753690801474,0.18896226118082105,3.58,0.9072222108606353,0.6523578267500569,0.5354341145060575,0.46535342405134933,0.4166250816217059,0.3810002302708534,0.35302440014276065,0.3303183637418829,0.3115502264537594,0.2956480424052162,4.17,4.17,4.17,4.17,4.17,4.17,4.17,4.17,4.17,4.17,4.17,1.12,2.0109259297131215,2.0958807244166477,2.134855295164648,2.158215525316217,2.174458306126098,2.1863332565763822,2.1956585332857466,2.203227212086039,2.209483257848747,2.214783985864928,third
+276,11.77,90,6.045281345338433e+16,3.76,1.324418957401803,175.7,Ring,Acid,1,0.5594567899302251,0.31907628503354546,7.58,5.460237485644516,4.410182461802415,3.891359105649769,3.634291003576094,3.5061311715841463,3.4439600902527174,3.4118265835863313,3.3968157465019577,3.389356909182689,3.385308394791155,0.85,0.85,0.85,0.85,0.85,0.85,0.85,0.85,0.85,0.85,0.85,1.73,3.8497625143554846,4.899817538197586,5.418640894350232,5.675708996423907,5.803868828415855,5.8660399097472835,5.8981734164136705,5.913184253498044,5.920643090817313,5.924691605208847,first
+279,9.11,99,1.9794227964451245e+17,4.8,1.5686159179138452,179.0,Ring,None,0,0.05767623218210262,0.04180259481301638,6.39,6.1018577651771215,5.826708691584098,5.563966463243726,5.313067801046335,5.073482580088063,4.844704007883495,4.626245340486785,4.417639882491659,4.218440987031407,4.02822205577889,3.42,3.42,3.42,3.42,3.42,3.42,3.42,3.42,3.42,3.42,3.42,3.17,3.17,3.17,3.17,3.17,3.17,3.17,3.17,3.17,3.17,3.17,first
+279,12.86,90,2.4987221990259974e+17,1.88,0.6312717768418578,63.6,Ring,None,1,3.5255390807580222,2.2821262405862526,9.96,1.3297460229896803,1.3290725659514653,1.3289959471679382,1.3287897161941509,1.328401611295602,1.3282828504657271,1.3278853428065214,1.3277535995685514,1.3274537294456668,1.3281643423509235,4.27,4.27,4.27,4.27,4.27,4.27,4.27,4.27,4.27,4.27,4.27,0.74,3.6167513256701067,3.6169758113495125,3.617001350944021,3.61707009460195,3.617199462901466,3.6172390498447573,3.6173715523978256,3.617415466810482,3.61751542351811,3.6172785525496916,third
+277,10.96,90,3.7988324166746765e+17,4.42,1.4861396960896067,108.7,Linear,Enzyme,0,4.050358718267466,3.626572047529361,6.43,3.1897130253860246,-0.050573949227946,-3.2908609238419215,-6.531147898455894,-9.771434873069872,-13.011721847683852,-16.252008822297825,-19.4922957969118,-22.732582771525788,-25.972869746139775,3.84,3.84,3.84,3.84,3.84,3.84,3.84,3.84,3.84,3.84,3.84,2.39,5.630286974613975,8.870573949227946,12.110860923841921,15.351147898455894,18.591434873069872,21.831721847683852,25.072008822297825,28.312295796911798,31.552582771525785,34.79286974613977,zero
+278,13.29,91,1.5189665154463053e+17,2.85,1.0473189942805592,34.9,Ring,None,0,1.2093201838842897,1.0017635765399873,8.66,0.4894685338990471,0.2516861014002811,0.16944413695271818,0.12778843622263347,0.10253050436375638,0.08561553950613815,0.0734522676098905,0.06440492287531538,0.057278460877640755,0.05156400086535232,0.9,0.9,0.9,0.9,0.9,0.9,0.9,0.9,0.9,0.9,0.9,0.64,4.7252657330504775,4.844156949299861,4.8852779315236425,4.906105781888685,4.918734747818124,4.927192230246932,4.933273866195056,4.937797538562344,4.941360769561181,4.944217999567326,second
+280,11.01,96,3.286694659209563e+17,2.48,0.9082585601768908,51.0,Linear,None,0,0.40466263626553906,0.3057805373978629,9.29,1.327405979601316,0.715694600097534,0.4896964681897653,0.37184994677030664,0.3001470946512787,0.2512644704493782,0.21644101814717925,0.18985317856045839,0.1690878827148573,0.15242764930571476,4.02,4.02,4.02,4.02,4.02,4.02,4.02,4.02,4.02,4.02,4.02,1.88,5.8612970101993405,6.167152699951231,6.280151765905115,6.339075026614844,6.374926452674358,6.399367764775308,6.416779490926408,6.430073410719769,6.440456058642569,6.4487861753471405,second
+273,10.29,92,1.6077153434601085e+17,2.87,1.0543120297715298,160.8,Branched,Enzyme,0,0.40058164440920613,0.3055318035069524,3.29,2.3878964997839187,1.7328422792902742,1.2569644626248664,0.9132881751209274,0.6630191589270623,0.4809313168596186,0.3495033300096668,0.2537726374337393,0.18416961344636223,0.13374308067280713,1.34,1.34,1.34,1.34,1.34,1.34,1.34,1.34,1.34,1.34,1.34,1.63,2.532103500216081,3.1871577207097257,3.6630355373751335,4.006711824879073,4.256980841072938,4.439068683140381,4.570496669990334,4.666227362566262,4.735830386553638,4.786256919327194,first
+277,11.07,100,4.511092313302906e+16,2.62,0.9631743177730056,129.9,Branched,Acid,0,0.006256477457193972,0.005026047749368576,9.49,4.943300964903147,3.7580772350376583,3.150953539079018,2.7657985984291296,2.4953353192080403,2.2921280613842545,2.1296769673372733,1.998222250999479,1.889389236148168,1.7963466846268896,3.16,3.16,3.16,3.16,3.16,3.16,3.16,3.16,3.16,3.16,3.16,4.72,6.235566345032283,6.630640921654114,6.83301548697366,6.961400467190289,7.051554893597319,7.119290646205248,7.173441010887575,7.2172592496668395,7.253536921283944,7.284551105124369,third
+272,6.75,90,3.989815382306731e+17,1.62,0.4824261492442928,164.9,Branched,Base,0,2.073996310183042,1.6628558366223796,2.49,0.08937331986352355,0.04634861429430397,0.031319691130999576,0.023650951871081728,0.01900004951964299,0.015889118968796564,0.013653396928730077,0.011958488275963268,0.010651414476446353,0.009602547833152055,4.36,3.1596866599317615,3.138174307147152,3.1306598455654995,3.1268254759355405,3.124500024759821,3.122944559484398,3.1218266984643646,3.120979244137981,3.120325707238223,3.1198012739165755,0.19,1.3903133400682384,1.411825692852848,1.4193401544345003,1.4231745240644593,1.4254999752401787,1.4270554405156017,1.428173301535635,1.4290207558620185,1.429674292761777,1.4301987260834241,third
+277,1.31,92,2.4906495225567354e+17,1.44,0.36464311358790924,53.1,Branched,Enzyme,1,1.1142866700458203,0.884262920938592,5.09,1.6290287686432727,1.6298115597662775,1.6304115869544455,1.6286417228900565,1.6316319924455864,1.6288731378780652,1.6300036267704874,1.630355552660127,1.6286347852415903,1.6309278244411365,1.36,1.36,1.36,1.36,1.36,1.36,1.36,1.36,1.36,1.36,1.36,4.3,5.453657077118909,5.4533961467445735,5.45319613768185,5.453786092369981,5.452789335851472,5.453708954040645,5.4533321244098385,5.453214815779958,5.453788404919471,5.453024058519622,third
+280,4.73,99,2.3863677734364755e+17,1.66,0.5068176023684519,157.8,Linear,Base,1,0.08098303569519556,0.06327996424098302,9.53,9.022423827568582,8.5701550262348,8.166661548552081,7.806926229118859,7.486661501157073,7.201797674598119,6.9484829360828515,6.723083348961584,6.522182853294088,6.342645180786053,0.55,0.55,0.55,0.55,0.55,0.55,0.55,0.55,0.55,0.55,0.55,1.58,2.0875761724314175,2.539844973765201,2.94333845144792,3.303073770881142,3.6233384988429282,3.9082023254018825,4.16151706391715,4.386916651038417,4.5878171467059135,4.767354819213948,first
+276,5.79,90,1.1095780194771155e+17,1.9,0.6418538861723947,136.2,Unknown,None,1,1.0268520545077324,0.84954534401519,3.58,1.6617849063808356,1.6636149170085628,1.6608598654792188,1.6622945178092647,1.6608405494854703,1.6610367318502672,1.6617087633429035,1.6602272502179962,1.662442427136197,1.6620898039509944,1.9,0.9408924531904176,0.9418074585042812,0.9404299327396092,0.9411472589046321,0.9404202747427349,0.9405183659251334,0.9408543816714515,0.9401136251089979,0.9412212135680983,0.941044901975497,2.18,3.1391075468095826,3.1381925414957186,3.139570067260391,3.138852741095368,3.139579725257265,3.139481634074867,3.139145618328549,3.139886374891002,3.1387787864319017,3.138955098024503,third
+273,9.86,91,9.440350812127258e+16,4.71,1.5496879080283263,70.8,Branched,Acid,0,0.3654370783114189,0.2996767372549573,5.65,4.217684334194148,3.148556854896434,2.348176114379225,1.7529560077740598,1.3111460190286544,0.9786975666905564,0.7301811375590845,0.5457267700000166,0.4077212173112012,0.3043686266002617,2.48,2.48,2.48,2.48,2.48,2.48,2.48,2.48,2.48,2.48,2.48,4.19,4.19,4.19,4.19,4.19,4.19,4.19,4.19,4.19,4.19,4.19,first
+276,8.28,98,3.6232085545947776e+17,4.33,1.4655675420143985,83.4,Linear,Base,1,0.10264579085160888,0.09227897785083346,7.52,6.48035323050296,6.004904387202057,5.766283701905063,5.641762840776282,5.575238499113606,5.5396898231043945,5.520149947372262,5.509558149734125,5.504039713572206,5.5007909693465775,3.0,1.9603532305029603,1.4849043872020569,1.2462837019050628,1.1217628407762825,1.0552384991136068,1.0196898231043947,1.0001499473722633,0.9895581497341256,0.9840397135722072,0.9807909693465781,3.95,4.98964676949704,5.465095612797943,5.703716298094937,5.828237159223717,5.894761500886394,5.930310176895605,5.949850052627737,5.960441850265875,5.965960286427793,5.969209030653422,second
+278,12.01,92,4.989150370559165e+17,4.56,1.5173226235262947,176.8,Branched,None,1,2.57702433728123,2.2697356911090387,6.47,3.1337096849261403,3.1338229497957135,3.134025846256548,3.1343587252207348,3.1347904723126057,3.1352736731562705,3.1357444933411784,3.136079723711167,3.1360165007778154,3.1348772776601175,2.22,0.5518548424630701,0.5519114748978567,0.5520129231282743,0.5521793626103677,0.5523952361563031,0.5526368365781352,0.5528722466705891,0.5530398618555833,0.553008250388907,0.552438638830058,4.49,6.15814515753693,6.158088525102144,6.157987076871726,6.157820637389633,6.157604763843696,6.157363163421864,6.1571277533294095,6.156960138144414,6.156991749611091,6.157561361169939,third
+279,10.98,90,4.5058003781136736e+17,1.94,0.6626879730752367,137.4,Unknown,None,0,6.357399525776076,4.113021676283967,3.75,0.02327290248244254,0.00014477543041814073,7.906996772831609e-07,-3.787121923342672e-07,-2.9205964192565926e-07,4.316426626041153e-07,-4.607210923230308e-07,3.31885636731977e-07,3.367208096772747e-07,5.13209726650536e-07,2.58,2.58,2.58,2.58,2.58,2.58,2.58,2.58,2.58,2.58,2.58,0.64,4.366727097517558,4.389855224569582,4.389999209300322,4.390000378712192,4.390000292059642,4.389999568357337,4.390000460721091,4.3899996681143625,4.389999663279189,4.3899994867902725,first
+270,6.87,95,2.6294729557632835e+17,4.16,1.425515074273172,174.1,Ring,Enzyme,0,0.10973624631759273,0.07009032098423737,7.99,4.495800965701188,4.248769357741774,4.202320285171821,4.192631225727452,4.190563825459684,4.190121424033249,4.190026151836385,4.190005928687309,4.190001459750726,4.190000393650245,1.9,0.15290048285059413,0.02938467887088675,0.006160142585910098,0.0013156128637256568,0.0002819127298412302,6.071201662387798e-05,1.3075918191826129e-05,2.9643436538014524e-06,7.298753626573727e-07,1.968251221901458e-07,3.38,5.1270995171494045,5.2506153211291124,5.273839857414089,5.278684387136273,5.279718087270158,5.2799392879833755,5.279986924081808,5.279997035656345,5.2799992701246365,5.279999803174877,third
+275,7.95,95,3.773674952443011e+17,3.55,1.2669476034873244,167.3,Ring,Base,1,0.33995305385866986,0.3002778773701031,9.17,5.660477290062052,5.3386167475807875,5.296191744736175,5.290204815558304,5.289289435730888,5.288763253219558,5.2893541325717335,5.287494591160916,5.291146735796312,5.289401182776881,4.96,1.4504772900620513,1.1286167475807871,1.0861917447361737,1.0802048155583015,1.0792894357308864,1.0787632532195557,1.0793541325717317,1.0774945911609144,1.0811467357963103,1.0794011827768797,2.58,6.089522709937948,6.4113832524192125,6.453808255263825,6.459795184441696,6.460710564269112,6.461236746780442,6.4606458674282665,6.462505408839084,6.458853264203688,6.460598817223119,second
+272,3.86,96,1.8577658374866973e+17,0.59,-0.527632742082372,188.6,Ring,None,0,0.068009538841679,0.05707950238324896,9.23,9.147375801692005,9.097562656332485,9.06731497791913,9.048943821649516,9.037695048926075,9.030835527166989,9.026630001067222,9.024061708383018,9.022485961036645,9.021524077060942,0.21,0.12737580169200569,0.07756265633248463,0.04731497791913068,0.028943821649515564,0.017695048926075412,0.01083552716698901,0.006630001067221835,0.004061708383017389,0.0024859610366459333,0.0015240770609407884,1.14,1.2226241983079942,1.2724373436675152,1.302685022080869,1.3210561783504842,1.3323049510739242,1.3391644728330105,1.3433699989327779,1.3459382916169822,1.3475140389633535,1.3484759229390588,second
+270,4.14,94,2.7206374022230285e+17,0.79,-0.23572233352106983,73.0,Linear,None,0,0.1772640523243339,0.1202901622434584,6.63,5.75341248393145,4.992717833994683,4.331539182402107,3.757360344090591,3.259886944906143,2.8294067143661485,2.4567894856593693,2.1334871956459445,1.8517621407910774,1.6069316939273153,2.98,2.98,2.98,2.98,2.98,2.98,2.98,2.98,2.98,2.98,2.98,4.21,5.086587516068549,5.847282166005317,6.508460817597893,7.082639655909409,7.580113055093857,8.01059328563385,8.38321051434063,8.706512804354055,8.988237859208924,9.233068306072685,first
+280,4.18,94,4.852732925866719e+17,4.76,1.5602476682433286,44.0,Linear,Enzyme,1,1.410711428138952,1.151863351409618,8.97,2.473021112320684,2.4709693278318734,2.473917506990595,2.473539227018479,2.470822988396089,2.4749170865802643,2.472064555651094,2.4711582187718504,2.4754819873339775,2.473332630699384,2.47,2.47,2.47,2.47,2.47,2.47,2.47,2.47,2.47,2.47,2.47,4.24,7.48848944383966,7.4895153360840645,7.488041246504704,7.488230386490763,7.489588505801958,7.48754145670987,7.488967722174455,7.489420890614077,7.487259006333013,7.488333684650311,second
+275,6.53,99,1.927288251824905e+17,4.74,1.556037135706985,183.4,Unknown,Acid,1,0.030185412067054464,0.01691110893899977,8.73,8.556300105369855,8.389022995223245,8.227930830394506,8.072794068022175,7.923393904644134,7.779518995925424,7.640965070183718,7.507534928389321,7.3790384441651735,7.255292563786852,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.5,2.6736998946301442,2.8409770047767555,3.0020691696054937,3.1572059319778263,3.3066060953558662,3.4504810040745757,3.5890349298162825,3.7224650716106797,3.8509615558348265,3.9747074362131483,first
+271,8.06,98,3.6098260771957786e+17,4.91,1.5912739418064292,100.4,Unknown,Acid,1,0.04650767619401841,0.031074047049935348,7.36,2.2162053379664703,1.8046511427547787,1.6767183883944368,1.628894461794433,1.6096802989910883,1.6013732190959171,1.598286563940547,1.596911095450937,1.5961683186586657,1.596072373765241,1.32,1.32,1.32,1.32,1.32,1.32,1.32,1.32,1.32,1.32,1.32,4.16,5.874598220677844,6.011782952415074,6.054427203868522,6.07036851273519,6.076773233669638,6.079542260301361,6.080571145353152,6.081029634849688,6.0812772271137785,6.08130920874492,third
+270,9.52,100,4.764066819632786e+17,4.7,1.547562508716013,64.7,Ring,Acid,0,0.021434637913778205,0.013269999066353556,2.5,2.3025768866800425,2.134059843458259,1.9881549681687918,1.8604557396150745,1.748561641969626,1.6502092587721608,1.563224396771301,1.4855220859245732,1.415106579398409,1.3501168487559003,3.71,3.71,3.71,3.71,3.71,3.71,3.71,3.71,3.71,3.71,3.71,1.17,1.2687115566599787,1.3529700782708705,1.4259225159156041,1.4897721301924627,1.545719179015187,1.5948953706139195,1.6383878016143494,1.6772389570377133,1.7124467103007954,1.7449415756220499,second
+276,1.27,98,4.3871071029632474e+17,3.81,1.3376291891386096,25.9,Linear,Enzyme,0,0.1242870983960616,0.1093296657328362,7.22,5.987660029117388,5.404363457191598,5.090600449536434,4.910825556684024,4.803256759138974,4.738059434940003,4.69755243960664,4.672486031601886,4.65670347337406,4.646838561795841,2.59,1.3576600291173873,0.7743634571915983,0.4606004495364334,0.280825556684024,0.17325675913897398,0.10805943494000356,0.06755243960664006,0.042486031601885826,0.026703473374060163,0.01683856179584125,2.7,3.932339970882613,4.5156365428084015,4.829399550463566,5.009174443315976,5.116743240861026,5.181940565059997,5.22244756039336,5.247513968398114,5.26329652662594,5.273161438204159,second
+277,6.55,96,4.0152589417166195e+17,3.1,1.1314021114911006,20.6,Unknown,Enzyme,1,0.31628587761228893,0.21621445817641755,5.81,5.121111921532098,5.000759336586189,4.977579009219938,4.973008379262979,4.9719043844281465,4.971778105060179,4.971740679410919,4.971732715851568,4.971460316894868,4.9723135061996455,1.63,0.941111921532098,0.8207593365861894,0.7975790092199391,0.79300837926298,0.7919043844281475,0.7917781050601801,0.7917406794109205,0.791732715851569,0.7914603168948698,0.7923135061996468,4.92,5.608888078467902,5.729240663413811,5.752420990780061,5.75699162073702,5.758095615571853,5.758221894939821,5.75825932058908,5.758267284148432,5.758539683105131,5.757686493800354,second
+271,8.41,95,3.713758270659853e+17,1.45,0.371563556432483,131.7,Branched,Base,1,0.18118244911849704,0.11947739763688293,3.93,2.3945608789116704,2.252554934300371,2.229356901669186,2.2253392202903535,2.224898882798036,2.2244747756686416,2.224442122159101,2.223688724830808,2.2260866844073477,2.22485503435253,1.57,0.802280439455835,0.7312774671501854,0.7196784508345928,0.7176696101451766,0.717449441399018,0.7172373878343207,0.7172210610795504,0.7168443624154038,0.7180433422036739,0.7174275171762651,4.53,5.297719560544166,5.368722532849816,5.380321549165409,5.382330389854825,5.382550558600983,5.382762612165681,5.382778938920451,5.383155637584598,5.381956657796327,5.382572482823736,third
+274,7.18,96,1.6130425854037325e+17,4.62,1.5303947050936475,124.5,Unknown,Acid,0,0.08050022754045293,0.0627424414124678,4.99,4.202682599964819,3.68850030793855,3.327521645760048,3.064314748007154,2.862234528905139,2.704476327752064,2.5794407837554214,2.477759741240468,2.393919791598907,2.3243352035732068,3.09,2.3026825999648186,1.7885003079385495,1.4275216457600477,1.1643147480071536,0.9622345289051384,0.8044763277520628,0.6794407837554206,0.5777597412404676,0.49391979159890653,0.4243352035732062,4.7,5.487317400035181,6.00149969206145,6.362478354239952,6.625685251992846,6.827765471094861,6.985523672247937,7.110559216244579,7.2122402587595325,7.296080208401094,7.365664796426794,second
+274,13.01,98,2.8137790331669578e+17,0.77,-0.2613647641344075,152.1,Unknown,Acid,1,0.05836503479877247,0.030498273347430254,3.01,2.4336625620792605,2.081099579902231,1.8466492102785776,1.6867693986235808,1.5714707539946655,1.4877568487442538,1.4267352787488619,1.380595287415843,1.3455670816999528,1.3190079189581911,1.47,1.47,1.47,1.47,1.47,1.47,1.47,1.47,1.47,1.47,1.47,2.01,2.298168718960369,2.4744502100488837,2.5916753948607107,2.671615300688209,2.729264623002667,2.7711215756278724,2.8016323606255686,2.8247023562920783,2.8422164591500234,2.855496040520904,second
+279,3.9,93,1.2454915007513787e+17,4.77,1.5623463049002497,73.2,Ring,Enzyme,0,0.4821312090559128,0.3053956631999487,4.19,1.4954097918529348,0.8741942852112905,0.5991039811545515,0.44485470483302303,0.3459424382508773,0.27801843326285236,0.2281243306430439,0.19059955056163186,0.16126294812846909,0.1377246001554303,4.45,1.7554097918529346,1.1341942852112903,0.8591039811545513,0.7048547048330228,0.6059424382508771,0.5380184332628521,0.4881243306430436,0.4505995505616316,0.4212629481284688,0.39772460015543004,1.4,4.094590208147066,4.7158057147887105,4.990896018845449,5.145145295166977,5.244057561749123,5.311981566737148,5.361875669356957,5.399400449438369,5.428737051871532,5.45227539984457,second
+271,1.35,92,4.089076923792989e+17,1.23,0.20701416938432612,159.2,Linear,None,0,0.7554259619194825,0.6684732018905881,6.17,5.565659230464413,4.961318460928828,4.356977691393242,3.752636921857655,3.148296152322069,2.5439553827864816,1.9396146132508947,1.3352738437153082,0.7309330741797213,0.1265923046441335,0.07,0.07,0.07,0.07,0.07,0.07,0.07,0.07,0.07,0.07,0.07,0.17,0.7743407695355865,1.378681539071172,1.9830223086067584,2.587363078142345,3.191703847677931,3.7960446172135183,4.400385386749106,5.004726156284692,5.6090669258202785,6.213407695355866,zero
+275,12.64,91,1.9907499198155072e+17,2.66,0.9783261227936078,46.2,Ring,Enzyme,0,1.0315141440543003,0.8637494147993726,8.06,7.234788684756561,6.40957736951312,5.58436605426968,4.759154739026239,3.933943423782799,3.1087321085393578,2.283520793295919,1.4583094780524775,0.6330981628090377,-0.19211315243440286,4.4,4.4,4.4,4.4,4.4,4.4,4.4,4.4,4.4,4.4,4.4,2.23,3.0552113152434406,3.880422630486881,4.705633945730321,5.530845260973762,6.3560565762172025,7.181267891460643,8.006479206704082,8.831690521947523,9.656901837190963,10.482113152434405,zero
+270,7.35,98,3.936671072452564e+17,2.4,0.8754687373538999,67.5,Unknown,Acid,0,0.04317224869768519,0.027035349174440313,3.83,3.0284372454515185,2.50587610974834,2.135390336073117,1.863238706110781,1.6517134614663838,1.4821046839940464,1.3449926555502807,1.2318557656505473,1.1356929134555223,1.0530803041338983,0.34,0.34,0.34,0.34,0.34,0.34,0.34,0.34,0.34,0.34,0.34,2.95,3.3507813772742407,3.6120619451258302,3.7973048319634417,3.93338064694461,4.039143269266809,4.123947658002978,4.19250367222486,4.249072117174727,4.297153543272239,4.338459847933051,second
+274,6.94,95,3.602070854702602e+17,4.53,1.5107219394949427,83.7,Branched,None,1,0.27883531921789834,0.25093302332042694,6.54,2.1768332320093777,2.1452677927657082,2.144460786570974,2.145352328010562,2.144632285172524,2.1436421045195764,2.143146055445148,2.143635534504087,2.144757717804773,2.1450353410533722,3.54,1.3584166160046887,1.342633896382854,1.3422303932854869,1.342676164005281,1.3423161425862618,1.341821052259788,1.3415730277225737,1.3418177672520433,1.3423788589023864,1.342517670526686,4.66,6.841583383995312,6.857366103617147,6.8577696067145135,6.85732383599472,6.857683857413738,6.858178947740212,6.858426972277426,6.858182232747957,6.857621141097614,6.8574823294733145,third
+273,5.37,92,1.4060347268514317e+17,1.97,0.6780335427498971,110.3,Branched,None,0,0.35033048933053906,0.2872482144487995,6.45,6.169735608535569,5.889471217071137,5.609206825606706,5.3289424341422755,5.048678042677844,4.768413651213413,4.488149259748981,4.20788486828455,3.927620476820118,3.6473560853556872,2.24,2.24,2.24,2.24,2.24,2.24,2.24,2.24,2.24,2.24,2.24,3.8,4.080264391464431,4.360528782928863,4.640793174393294,4.9210575658577245,5.201321957322156,5.481586348786587,5.761850740251019,6.04211513171545,6.322379523179881,6.602643914644313,zero
+273,11.65,99,4.2919664402016096e+17,2.84,1.0438040521731147,87.9,Branched,Enzyme,0,0.04894857902497781,0.04049301941728315,2.12,1.509855884119017,1.1989141769447333,1.0016479755494467,0.8640338560901576,0.7632615943105503,0.6852122133317774,0.6220607065238859,0.5705184290512437,0.527649436679547,0.49106610440518184,2.62,2.3149279420595086,2.159457088472367,2.0608239877747234,1.9920169280450786,1.941630797155275,1.9026061066658888,1.871030353261943,1.845259214525622,1.8238247183397736,1.805533052202591,1.94,2.245072057940491,2.400542911527633,2.4991760122252766,2.5679830719549215,2.618369202844725,2.6573938933341115,2.688969646738057,2.7147407854743784,2.7361752816602265,2.7544669477974093,third
+276,8.61,92,3.415946465861134e+17,2.97,1.0885619528146082,90.3,Ring,Base,1,1.3223168513493189,0.8284661958527987,6.22,5.554668261077727,5.554353317814735,5.554520457594722,5.5545616428691,5.5542656125942065,5.5546702371359045,5.554382049423468,5.554491978014426,5.554554912713314,5.554512400451047,0.41,0.07733413053886336,0.07717665890736784,0.07726022879736097,0.07728082143455058,0.07713280629710294,0.07733511856795201,0.07719102471173354,0.07724598900721223,0.07727745635665591,0.0772562002255226,3.47,3.8026658694611366,3.8028233410926324,3.802739771202639,3.80271917856545,3.802867193702897,3.802664881432048,3.802808975288266,3.802754010992787,3.802722543643343,3.8027437997744764,third
+272,7.83,94,4.786724139178883e+17,2.53,0.9282193027394288,21.2,Unknown,Acid,0,0.424335497996946,0.29976169857549123,8.38,0.6995760567297045,0.4958721011442663,0.40489625978420607,0.3507433492952153,0.3137655030217913,0.286597259526608,0.26518807403461475,0.24807246813415737,0.234024359386724,0.22205176090479886,1.51,1.51,1.51,1.51,1.51,1.51,1.51,1.51,1.51,1.51,1.51,1.4,3.9601413144234328,4.028042632951912,4.058367913405266,4.0764188835682615,4.08874483232607,4.097800913491131,4.104937308655129,4.110642510621948,4.115325213537759,4.1193160796984,third
+273,4.93,97,4.4231879668987264e+17,3.65,1.2947271675944,149.7,Branched,None,1,0.12175991692000326,0.08315393626213856,2.22,1.1562750801612074,0.9221309982817394,0.8220979772135848,0.771065767799109,0.742368435855745,0.7262145172944051,0.7164489629959615,0.7105701314292573,0.7073176458739572,0.7051632476741267,2.12,2.12,2.12,2.12,2.12,2.12,2.12,2.12,2.12,2.12,2.12,0.0,0.3545749732795975,0.4326230005727536,0.46596734092880515,0.4829780774002971,0.4925438547147517,0.49792849423519836,0.5011836790013462,0.503143289523581,0.5042274513753476,0.5049455841086244,third
+271,8.09,90,4.383793524169449e+17,0.75,-0.2876820724517809,120.1,Branched,None,0,1.9675516310753078,1.4895021125768821,6.55,1.3581196235736859,0.2822322016578186,0.05849429201689192,0.012148584057982971,0.0025221712532252885,0.0005229062866436389,0.00010878909844313502,2.2805003851404035e-05,4.91366586953037e-06,1.0685067629263379e-06,3.5,3.5,3.5,3.5,3.5,3.5,3.5,3.5,3.5,3.5,3.5,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,first
+278,3.96,97,2.6330555209094547e+17,1.15,0.13976194237515863,176.5,Unknown,Enzyme,0,0.15633134691637493,0.10385577025123213,3.58,3.1591322555744594,2.7877441263118,2.459593868408246,2.169559311223825,1.9137900857913168,1.688609594812501,1.4905096029447835,1.3161502368011986,1.1623599849504085,1.0261373630863622,3.9,3.9,3.9,3.9,3.9,3.9,3.9,3.9,3.9,3.9,3.9,3.8,4.220867744425541,4.5922558736882,4.920406131591754,5.210440688776175,5.466209914208683,5.691390405187499,5.889490397055217,6.063849763198801,6.217640015049591,6.353862636913638,first
+279,5.34,96,5.706729885429477e+16,2.53,0.9282193027394288,195.5,Ring,None,1,0.060607826812822556,0.03282585496593811,3.56,2.895888209470782,2.4372449091328123,2.1065905824105875,1.8607125609679893,1.6711523142622133,1.5238803476111609,1.4080349015587517,1.31493434204396,1.2396273937225273,1.1784304001255712,4.81,4.1458882094707805,3.6872449091328114,3.3565905824105866,3.1107125609679884,2.921152314262212,2.7738803476111595,2.6580349015587506,2.564934342043959,2.489627393722526,2.42843040012557,0.8,1.4641117905292185,1.922755090867188,2.253409417589413,2.499287439032011,2.6888476857377874,2.83611965238884,2.951965098441249,3.0450656579560405,3.1203726062774733,3.1815695998744293,second
+271,13.77,96,2.8355671738105018e+17,3.41,1.2267122912954254,142.4,Linear,Enzyme,1,0.08875395672579244,0.07348554699153988,6.92,4.407998810805926,4.1531898262222615,4.100964154422269,4.089195381217238,4.086528538524048,4.085795072022981,4.085662665305661,4.085635370956146,4.085681287459075,4.085640579286044,1.61,0.3539994054029626,0.22659491311113034,0.20048207721113406,0.1945976906086187,0.19326426926202347,0.19289753601149015,0.1928313326528303,0.1928176854780725,0.19284064372953752,0.1928202896430217,2.47,3.726000594597038,3.85340508688887,3.879517922788866,3.8854023093913814,3.8867357307379766,3.88710246398851,3.88716866734717,3.8871823145219278,3.887159356270463,3.8871797103569787,third
+271,4.1,97,1.0108184529137978e+17,1.92,0.6523251860396901,191.9,Branched,Enzyme,1,0.020298606951524408,0.010194603045877321,2.99,2.3258903333045042,1.9621576232838647,1.7203621599365884,1.553620470550889,1.4313269966873605,1.340424630749283,1.2706494887961717,1.2151242598596597,1.1710564042453713,1.1356812064959794,3.39,3.057945166652252,2.8760788116419325,2.755181079968294,2.6718102352754443,2.6106634983436803,2.565212315374642,2.5303247443980856,2.50256212992983,2.4805282021226858,2.4628406032479897,3.45,3.782054833347748,3.963921188358068,4.084818920031706,4.168189764724556,4.22933650165632,4.274787684625359,4.309675255601914,4.33743787007017,4.3594717978773145,4.377159396752011,third
+272,6.25,96,3.49851378425117e+17,4.83,1.5748464676644813,194.9,Unknown,Base,0,0.12807443451542264,0.10532605684572977,7.91,1.2630443592986764,0.8979189244419647,0.7349775976781798,0.6370097599566106,0.5702604289066907,0.5204931031729256,0.4822768101647125,0.4513368782745319,0.4254811016108742,0.40361515328639935,2.22,2.22,2.22,2.22,2.22,2.22,2.22,2.22,2.22,2.22,2.22,1.38,3.5956518802337754,3.717360358519346,3.771674134107274,3.8043300800144637,3.8265798570311036,3.8431689656090255,3.8559077299450966,3.8662210405751565,3.874839632796376,3.8821282822378675,third
+276,12.21,99,3.828623277575996e+17,2.07,0.7275486072772777,99.0,Linear,None,0,0.07014999915535841,0.06158891403736595,3.76,1.569527895901355,1.1614153229174347,0.9637777274602843,0.8411842905345325,0.7564767455655786,0.6930040059432132,0.6428006718661666,0.6024900765967153,0.5691634550565052,0.5405606996332436,2.49,2.49,2.49,2.49,2.49,2.49,2.49,2.49,2.49,2.49,2.49,0.7,1.4301573680328814,1.5661948923608549,1.6320740908465716,1.6729385698218224,1.701174418144807,1.722331998018929,1.7390664427112779,1.752503307801095,1.7636121816478316,1.7731464334555855,third
+277,12.79,92,2.97135855176952e+17,0.94,-0.06187540371808753,83.3,Ring,None,1,1.329350113766562,1.0401561883501262,2.91,1.7948836154761147,1.7880550278161815,1.7867721692831713,1.7889084467723284,1.7871090337700215,1.7886887917240624,1.7877424549499994,1.7885427162503638,1.7873758024819006,1.7881895207566394,3.18,2.0648836154761145,2.058055027816181,2.0567721692831706,2.0589084467723278,2.0571090337700206,2.058688791724061,2.0577424549499983,2.0585427162503622,2.057375802481899,2.058189520756638,3.58,4.695116384523885,4.701944972183819,4.703227830716829,4.701091553227672,4.702890966229979,4.701311208275937,4.702257545050001,4.701457283749637,4.702624197518099,4.701810479243361,second
+275,3.81,91,4.573655872765145e+17,2.95,1.0818051703517284,38.8,Ring,Base,1,2.3698560405977482,1.8908313630750209,3.47,2.0204248205548425,1.9723861200827217,1.9703283163815748,1.969613498952322,1.973758824333897,1.971265055249114,1.9700772996615006,1.9701208956695504,1.9705848016619272,1.9723833854292134,2.26,2.26,2.26,2.26,2.26,2.26,2.26,2.26,2.26,2.26,2.26,0.97,2.419575179445158,2.467613879917278,2.4696716836184254,2.470386501047678,2.466241175666103,2.468734944750886,2.4699227003384996,2.4698791043304498,2.469415198338073,2.4676166145707867,first
+272,7.24,94,2.8158552217843062e+17,0.67,-0.40047756659712525,134.0,Linear,Enzyme,0,0.24962109640772248,0.22072449181754913,8.37,1.4779435000457815,1.0325108015680435,0.8321085497986204,0.7116862243333522,0.63010191012662,0.5692844912917702,0.5221438740865239,0.4844957299379933,0.4531378047090477,0.4265264841955968,4.31,0.8639717500228907,0.6412554007840218,0.5410542748993101,0.4808431121666761,0.44005095506331,0.4096422456458851,0.3860719370432619,0.36724786496899664,0.3515689023545238,0.33826324209779834,3.75,7.196028249977108,7.4187445992159775,7.518945725100689,7.5791568878333235,7.61994904493669,7.650357754354115,7.673928062956738,7.692752135031003,7.708431097645476,7.721736757902201,third
+274,1.4,99,3.46508678255852e+17,1.62,0.4824261492442928,158.2,Unknown,Base,0,0.04633750202215839,0.029489438323536933,6.83,6.066890814832339,5.519872037758166,5.110143866669533,4.796757738343726,4.5495845698253445,4.348738489516805,4.185131140658268,4.050604938354954,3.9383185255562,3.8432424880566813,3.6,2.8368908148323393,2.289872037758166,1.8801438666695334,1.5667577383437254,1.3195845698253441,1.1187384895168047,0.9551311406582677,0.8206049383549532,0.7083185255561992,0.6132424880566808,3.77,4.53310918516766,5.080127962241835,5.489856133330466,5.803242261656274,6.050415430174656,6.251261510483196,6.414868859341732,6.549395061645047,6.6616814744438,6.756757511943319,second
+278,10.52,100,1.6123841587303664e+17,1.6,0.47000362924573563,99.9,Unknown,None,1,0.026142736854169006,0.02157521762651577,9.22,6.720209510839847,5.341916615160914,4.480986423349747,3.897375978751676,3.487217088590092,3.186310022017774,2.9574650201383217,2.7834490060727592,2.6489341639676818,2.541631057500188,1.11,1.11,1.11,1.11,1.11,1.11,1.11,1.11,1.11,1.11,1.11,1.72,2.969895244580077,3.659041692419544,4.089506788325127,4.381312010624163,4.586391455704955,4.736844988991114,4.85126748993084,4.938275496963621,5.0055329180161605,5.059184471249908,second
+277,11.53,94,3.936246046850214e+17,3.18,1.1568811967920856,130.0,Ring,Enzyme,0,0.7389371767885818,0.4320041369318336,2.03,0.5145342360440778,0.3698441866938468,0.30363178167838445,0.2639039361103093,0.2362601978459904,0.21598342434848442,0.20021028341866035,0.18732961078209603,0.17666669625595852,0.16763761109019767,2.64,2.64,2.64,2.64,2.64,2.64,2.64,2.64,2.64,2.64,2.64,2.9,3.405155254651974,3.453385271102051,3.4754560727738717,3.48869868796323,3.4979132673846696,3.5046721918838384,3.509929905527113,3.5142234630726343,3.5177777679146804,3.520787462969934,third
+278,13.96,90,2.355645786372014e+17,2.9,1.0647107369924282,176.6,Linear,Base,0,2.890708256802614,2.4987585300606847,8.56,0.8495362560687757,0.08420712662322088,0.008366428296430136,0.0008303902295459221,8.236628655663499e-05,8.425136562127917e-06,9.193726167649903e-07,2.3124676302200999e-07,1.3103544423215887e-07,7.380421166267301e-08,3.32,3.32,3.32,3.32,3.32,3.32,3.32,3.32,3.32,3.32,3.32,0.79,0.79,0.79,0.79,0.79,0.79,0.79,0.79,0.79,0.79,0.79,first
+279,9.9,100,1.3459357929380811e+17,2.09,0.7371640659767196,152.3,Branched,Acid,0,0.025483258675358694,0.018283896540186865,7.05,7.029613393059713,7.009226786119426,6.988840179179139,6.968453572238852,6.948066965298565,6.927680358358279,6.907293751417992,6.886907144477704,6.866520537537418,6.846133930597131,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,3.69,3.7103866069402867,3.730773213880574,3.7511598208208605,3.7715464277611477,3.7919330347014344,3.812319641641721,3.8327062485820083,3.853092855522295,3.873479462462582,3.893866069402869,zero
+273,12.0,97,1.21397682459936e+17,2.95,1.0818051703517284,41.5,Linear,Acid,1,0.033417914502436474,0.024940556019979625,9.88,9.279796099219103,8.84979701308369,8.533447585464376,8.29893960872371,8.122120677188123,7.985564871924845,7.880788761114449,7.8003078549395335,7.73758313169156,7.688442145206218,2.98,2.379796099219101,1.949797013083688,1.6334475854643753,1.3989396087237078,1.222120677188122,1.0855648719248439,0.9807887611144471,0.9003078549395318,0.8375831316915585,0.788442145206216,3.76,4.360203900780898,4.790202986916312,5.106552414535624,5.341060391276292,5.517879322811878,5.654435128075156,5.759211238885553,5.839692145060468,5.902416868308442,5.9515578547937835,second
+270,13.54,95,2.4470333568781466e+17,3.16,1.1505720275988207,43.8,Unknown,Base,0,0.10212246321422906,0.07963935462111296,1.55,1.0562883545942958,0.8496717547005468,0.7300513829405096,0.6510160756866059,0.59223732104541,0.547228278540609,0.5114188807002978,0.48153564344832195,0.4563041833474623,0.43466354442848587,1.25,1.25,1.25,1.25,1.25,1.25,1.25,1.25,1.25,1.25,1.25,3.21,3.374570548468568,3.443442748433151,3.483316205686497,3.509661308104465,3.529254226318197,3.544257240486464,3.5561937064332345,3.5661547855172264,3.574565272217513,3.5817788185238384,third
+277,7.69,99,1.6830519954618752e+17,2.38,0.8671004876833833,147.6,Linear,Enzyme,0,0.0360350576381406,0.03067172857365181,2.43,2.360947946038195,2.2938581108507448,2.2286747338853976,2.1653435353759045,2.103811945766891,2.044028953641794,1.985944892720906,1.929511441861378,1.874681625057217,1.8214098114392874,3.68,3.68,3.68,3.68,3.68,3.68,3.68,3.68,3.68,3.68,3.68,0.21,0.21,0.21,0.21,0.21,0.21,0.21,0.21,0.21,0.21,0.21,first
+270,6.33,99,1.0627033759792357e+17,4.16,1.425515074273172,194.4,Unknown,Enzyme,0,0.007464813890631425,0.006156031815893239,9.68,9.622364747085019,9.56507265763771,9.508121688463596,9.45150980849216,9.395234998696514,9.3392952521962,9.283688574111638,9.228412981319641,9.173466502452396,9.118847177897456,4.39,4.39,4.39,4.39,4.39,4.39,4.39,4.39,4.39,4.39,4.39,3.15,3.15,3.15,3.15,3.15,3.15,3.15,3.15,3.15,3.15,3.15,first
+271,13.42,91,4.223021580861219e+17,0.75,-0.2876820724517809,93.8,Linear,Base,1,1.2160309737228323,0.8451928233155773,1.04,1.3769494119383874,1.3790071870563279,1.3767520875945212,1.3768758894042925,1.3783934408139764,1.37865365181681,1.378265927878414,1.3769106638521613,1.375914402724662,1.377406723704888,4.08,4.08,4.08,4.08,4.08,4.08,4.08,4.08,4.08,4.08,4.08,2.9,2.7315252940308064,2.730496406471836,2.731623956202739,2.7315620552978537,2.730803279593012,2.7306731740915953,2.7308670360607934,2.7315446680739197,2.732042798637669,2.7312966381475565,second
+276,13.8,97,3.198096600944471e+17,1.22,0.19885085874516517,140.1,Unknown,Acid,1,0.14008839749677907,0.09168501077055455,4.07,3.2499502212564675,2.842891147376247,2.6172336718674085,2.48513596262711,2.40696479533126,2.3582999637369895,2.328883198574594,2.310404145339177,2.29872378772994,2.291524610660966,3.0,2.179950221256467,1.7728911473762472,1.5472336718674082,1.41513596262711,1.3369647953312596,1.2882999637369896,1.2588831985745943,1.2404041453391768,1.22872378772994,1.2215246106609663,2.42,3.2400497787435327,3.647108852623753,3.8727663281325917,4.00486403737289,4.08303520466874,4.13170003626301,4.161116801425406,4.179595854660823,4.19127621227006,4.198475389339034,second
+271,5.05,94,3.90733160853851e+17,1.65,0.5007752879124892,103.4,Branched,None,0,0.2971238235090035,0.21156041360814284,6.61,6.3723009411927976,6.134601882385595,5.896902823578392,5.659203764771189,5.4215047059639865,5.183805647156783,4.94610658834958,4.708407529542377,4.470708470735174,4.23300941192797,1.29,1.29,1.29,1.29,1.29,1.29,1.29,1.29,1.29,1.29,1.29,4.06,4.297699058807202,4.535398117614405,4.773097176421608,5.010796235228811,5.2484952940360134,5.486194352843217,5.72389341165042,5.961592470457623,6.199291529264826,6.43699058807203,zero
+278,4.63,93,1.3218805790677498e+17,2.45,0.8960880245566357,181.8,Linear,None,0,0.4429788320695297,0.23913510067244917,5.47,3.8376070470645374,2.6924909041541065,1.886998767111006,1.3255179853847234,0.930938678167532,0.652635168126806,0.45859188070515755,0.32177612138016237,0.22572062757823147,0.1585720846765535,3.23,3.23,3.23,3.23,3.23,3.23,3.23,3.23,3.23,3.23,3.23,4.94,4.94,4.94,4.94,4.94,4.94,4.94,4.94,4.94,4.94,4.94,first
+276,3.77,93,3.308421283557127e+16,3.26,1.1817271953786161,123.4,Linear,Acid,1,0.08282901662051237,0.05606443741734295,5.98,5.812828163385222,5.710316162968524,5.6458274140260585,5.605773359402998,5.580079023377455,5.563710529873642,5.55353964013551,5.546813399264091,5.542556553532765,5.5398893442937,0.98,0.812828163385222,0.7103161629685231,0.6458274140260583,0.6057733594029977,0.5800790233774551,0.563710529873642,0.5535396401355099,0.5468133992640907,0.5425565535327643,0.5398893442936991,3.93,4.097171836614778,4.199683837031476,4.264172585973942,4.304226640597002,4.329920976622545,4.346289470126358,4.35646035986449,4.363186600735909,4.367443446467235,4.3701106557063,second
+273,9.97,94,1.67593727098267e+17,4.24,1.4445632692438664,192.1,Branched,Acid,0,0.1730033335282631,0.10285527693043837,6.38,6.241597333177389,6.103194666354779,5.964791999532168,5.826389332709558,5.687986665886948,5.549583999064337,5.411181332241727,5.272778665419116,5.134375998596505,4.995973331773895,1.76,1.76,1.76,1.76,1.76,1.76,1.76,1.76,1.76,1.76,1.76,2.75,2.8884026668226106,3.0268053336452208,3.1652080004678314,3.303610667290442,3.4420133341130525,3.580416000935663,3.7188186677582733,3.857221334580884,3.9956240014034945,4.134026668226105,zero
+276,4.53,98,1.4095243480058626e+17,4.65,1.536867219599265,118.8,Unknown,Acid,1,0.039931938569250106,0.025009169967041958,7.14,5.067972217236871,4.035635857421867,3.426424551830818,3.039142485332202,2.785353274212558,2.609657538023645,2.4857078673879776,2.3988296714935564,2.3354632922148224,2.2889257364805258,4.28,4.28,4.28,4.28,4.28,4.28,4.28,4.28,4.28,4.28,4.28,4.95,5.986013891381565,6.502182071289067,6.806787724084591,7.000428757333899,7.127323362893722,7.215171230988178,7.2771460663060115,7.320585164253222,7.3522683538925895,7.375537131759738,second
+275,12.36,96,2.447854764679728e+17,1.28,0.2468600779315258,82.6,Unknown,Acid,0,0.14239315039652473,0.07132786976497008,9.67,3.3790825314419295,2.994767684513848,2.8797444433236095,2.8375867412667843,2.821105680634776,2.8145014438755545,2.811828980090133,2.8107435799042095,2.8103022612781055,2.8101236660006004,3.43,0.28454126572096516,0.09238384225692425,0.03487222166180521,0.013793370633392628,0.005552840317388384,0.002250721937777569,0.0009144900450667691,0.00037178995210533834,0.00015113063905336442,6.183300030078568e-05,4.57,7.715458734279037,7.907616157743077,7.965127778338196,7.98620662936661,7.994447159682614,7.997749278062225,7.999085509954935,7.999628210047896,7.999848869360949,7.9999381669997005,third
+278,5.4,94,7.96625644540153e+16,3.7,1.308332819650179,28.8,Unknown,Acid,0,0.17319839370098333,0.11715889598114879,1.13,0.98379113538888,0.8565011071590811,0.7455194178542361,0.6487402759691406,0.5645799991917819,0.4915309829184307,0.42815951201298785,0.37310576080698243,0.325083793099574,0.28303786317280405,1.42,1.42,1.42,1.42,1.42,1.42,1.42,1.42,1.42,1.42,1.42,1.55,1.69620886461112,1.8234988928409188,1.9344805821457638,2.031259724030859,2.115420000808218,2.188469017081569,2.251840487987012,2.3068942391930176,2.354916206900426,2.396962136827196,first
+278,9.4,99,1.2902123990209082e+17,1.54,0.43178241642553783,135.3,Ring,Acid,1,0.03224370318438606,0.01613447614041228,4.4,2.764018085507122,2.143623951152839,1.8054783254992954,1.5887247713262407,1.4401373080775592,1.3306633901308695,1.2488360483670193,1.1860006532617118,1.1359078615542288,1.0958991079111287,3.16,2.342009042753561,2.0318119755764195,1.8627391627496477,1.7543623856631203,1.6800686540387797,1.6253316950654348,1.5844180241835097,1.5530003266308559,1.5279539307771144,1.5079495539555643,0.58,1.3979909572464393,1.7081880244235808,1.8772608372503525,1.98563761433688,2.0599313459612203,2.114668304934565,2.1555819758164905,2.186999673369144,2.212046069222885,2.2320504460444357,third
+271,5.2,95,3.4505331407269434e+17,2.52,0.9242589015233319,151.5,Branched,Enzyme,0,0.16834053259216766,0.11375627788027845,6.83,5.969432612313949,5.217298177202726,4.558941209845701,3.982940383722272,3.48013777006696,3.041849249400011,2.659864511527401,2.3264470555408336,2.0343341898177365,1.7780200783328448,1.99,1.99,1.99,1.99,1.99,1.99,1.99,1.99,1.99,1.99,1.99,4.96,5.820567387686051,6.572701822797274,7.231058790154299,7.807059616277728,8.30986222993304,8.74815075059999,9.130135488472598,9.463552944459167,9.755665810182263,10.011979921667155,first
+273,7.19,95,2.36456233945281e+17,4.45,1.4929040961781488,158.3,Ring,None,1,0.1571103847770345,0.09970731471928082,9.02,1.3977974689898676,1.2589264579009651,1.2385475144896965,1.2351253305233374,1.2347262794896365,1.2347173676570071,1.2338701882903036,1.2345583051153803,1.2354333201175676,1.2348461547817737,3.68,3.68,3.68,3.68,3.68,3.68,3.68,3.68,3.68,3.68,3.68,0.37,2.910734177003377,2.9570245140330114,2.9638174951701006,2.964958223158887,2.9650912401701204,2.9650942107809968,2.9653766039032314,2.9651472316282055,2.9648555599608097,2.965051281739408,third
+275,10.91,100,4.426370385008837e+17,3.71,1.3110318766193438,93.0,Unknown,None,0,0.04476588560873298,0.03184193010558516,7.1,6.8502289510348895,6.609244600346159,6.376736204606447,6.15240636135171,5.935969170698649,5.72714763078001,5.525673637744595,5.331287985757254,5.143740366998889,4.962789371666456,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,1.04,1.2897710489651093,1.53075539965384,1.7632637953935526,1.9875936386482886,2.20403082930135,2.412852369219989,2.614326362255404,2.8087120142427446,2.9962596330011095,3.1772106283335435,first
+273,8.67,100,1.042650059516585e+17,4.12,1.415853163361435,109.9,Branched,None,1,0.007653846630654454,0.005028792347456316,4.13,3.9640736442780757,3.8141161959905254,3.678080649516635,3.554201775323776,3.4411276719642103,3.3376847846873545,3.242814053391794,3.1555709126252824,3.075125291584742,3.0007616141162647,0.2,0.2,0.2,0.2,0.2,0.2,0.2,0.2,0.2,0.2,0.2,4.25,4.332963177860962,4.407941902004737,4.475959675241683,4.537899112338112,4.594436164017894,4.646157607656322,4.693592973304103,4.737214543687359,4.7774373542076285,4.814619192941867,second
+277,10.68,90,2.0897493241775624e+16,3.2,1.1631508098056809,95.7,Linear,Enzyme,1,0.22281147115158442,0.13110700015090573,8.92,7.9618121563933055,7.23998038435929,6.694077236709323,6.28415991146354,5.978146763781867,5.746422774996445,5.569808141401225,5.437575397732938,5.339195830888396,5.264608667179991,0.53,0.53,0.53,0.53,0.53,0.53,0.53,0.53,0.53,0.53,0.53,4.67,5.628187843606694,6.35001961564071,6.8959227632906765,7.30584008853646,7.611853236218133,7.843577225003555,8.020191858598775,8.152424602267063,8.250804169111603,8.325391332820008,first
+271,5.18,98,9.116706709022966e+16,2.97,1.0885619528146082,199.2,Branched,Acid,1,0.011745630800818217,0.010309888512700698,8.94,7.661071995016167,6.711008838093921,5.982310532640511,5.405431766807332,4.93669383588366,4.5518599699207565,4.231511780473301,3.959962558436688,3.727051992920348,3.5262944483098906,2.24,2.24,2.24,2.24,2.24,2.24,2.24,2.24,2.24,2.24,2.24,0.14,0.779464002491916,1.2544955809530385,1.6188447336797438,1.9072841165963332,2.1416530820581694,2.334070015039621,2.4942441097633488,2.6300187207816554,2.7464740035398254,2.846852775845054,second
+277,1.75,91,4.6635673791420634e+17,0.76,-0.2744368457017603,188.1,Branched,Base,0,3.2209359610132724,2.8412288166899056,2.01,0.15299555726046238,0.011677566363332562,0.0008889398154195361,6.813291202449427e-05,5.218861471215952e-06,6.057594808138149e-07,2.5674757273765807e-07,-1.932246223014756e-07,-7.056193081474266e-07,1.15906177330705e-06,0.55,0.55,0.55,0.55,0.55,0.55,0.55,0.55,0.55,0.55,0.55,3.49,5.347004442739537,5.488322433636666,5.499111060184579,5.499931867087974,5.499994781138528,5.499999394240518,5.499999743252427,5.500000193224622,5.500000705619308,5.499998840938226,first
+270,11.95,91,2.5080170057107414e+17,2.92,1.0715836162801904,136.5,Unknown,Base,1,0.6218509994200656,0.4253076546259688,7.66,2.1861360220275787,2.161188860810659,2.162314794050368,2.1616873521356945,2.1586924664204368,2.1636201994396287,2.1601955484655506,2.1615504250189663,2.1652248612268825,2.16195707717339,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,4.08,6.816931988986211,6.829405569594671,6.828842602974817,6.829156323932153,6.830653766789783,6.828189900280187,6.829902225767226,6.829224787490518,6.827387569386559,6.829021461413305,second
+274,1.71,95,2.7493318803394272e+17,1.92,0.6523251860396901,161.0,Ring,Base,0,0.21282502854977364,0.13160867049451386,9.24,2.2358646825046558,1.270475825400026,0.8877917932319495,0.6828941487641501,0.5539616675625243,0.46680390772466984,0.4026206667985226,0.35429762916127394,0.3165383550046106,0.2857485383992337,4.0,4.0,4.0,4.0,4.0,4.0,4.0,4.0,4.0,4.0,4.0,4.68,8.182067658747673,8.664762087299987,8.856104103384027,8.958552925617926,9.023019166218738,9.066598046137665,9.09868966660074,9.122851185419362,9.141730822497694,9.157125730800384,second
+273,4.27,95,2.5526456293211616e+17,3.68,1.3029127521808397,52.1,Branched,Acid,1,0.16960734353693147,0.1338581565164044,7.92,2.274969529474349,2.0778215218584823,2.0506428191122446,2.0466595616687875,2.0457698295456326,2.0451515691258093,2.0461379839766987,2.0446379606376,2.0468120117850663,2.0460481102755574,4.04,1.2174847647371745,1.1189107609292412,1.1053214095561223,1.1033297808343938,1.1028849147728164,1.1025757845629047,1.1030689919883494,1.1023189803188,1.1034060058925332,1.1030240551377788,2.91,5.7325152352628255,5.831089239070759,5.844678590443879,5.846670219165606,5.847115085227184,5.847424215437096,5.846931008011651,5.8476810196812,5.846593994107467,5.846975944862221,third
+279,2.91,95,1.358578380270588e+17,3.92,1.366091653802371,21.5,Linear,None,0,0.2220515393504361,0.13511632010856045,9.84,0.9654494593294848,0.6847187080970238,0.5592748449011349,0.4848020478794953,0.4334975925993596,0.39609743036764333,0.3666248263642259,0.3428827007339902,0.3233335174882461,0.30676869593436523,0.4,0.4,0.4,0.4,0.4,0.4,0.4,0.4,0.4,0.4,0.4,0.06,3.018183513556838,3.111760430634325,3.1535750516996215,3.178399317373501,3.1955008024668796,3.207967523210785,3.2177917245452576,3.225705766422003,3.232222160837251,3.2377437680218777,third
+272,1.34,91,2.589380437143017e+17,2.85,1.0473189942805592,111.3,Unknown,Enzyme,1,0.8649778533146871,0.5497151375084183,2.19,1.5620004956539884,1.5571324457737137,1.5552877843060708,1.5588457304349617,1.556642559721011,1.5579381010686977,1.5577500141110452,1.557428643676278,1.559908714234627,1.5576940793382574,1.1,1.1,1.1,1.1,1.1,1.1,1.1,1.1,1.1,1.1,1.1,3.5,3.8139997521730056,3.816433777113143,3.817356107846964,3.8155771347825187,3.816678720139494,3.8160309494656506,3.8161249929444763,3.8162856781618597,3.8150456428826853,3.8161529603308706,second
+276,11.47,96,3.6311121101975635e+17,3.51,1.2556160374777743,27.6,Linear,Acid,0,0.24593085794949746,0.21437961727660745,2.66,2.176022786876823,1.9105968162684532,1.7476734944661119,1.6410937635427922,1.5678016961720593,1.5161375935781505,1.4790135850543615,1.4516696162998584,1.4315477354999917,1.416572560011621,1.29,0.8060227868768232,0.5405968162684535,0.3776734944661122,0.2710937635427926,0.19780169617205987,0.14613759357815087,0.10901358505436208,0.08166961629985889,0.061547735499992255,0.046572560011621536,0.09,0.573977213123177,0.8394031837315467,1.002326505533888,1.1089062364572075,1.1821983038279404,1.2338624064218493,1.2709864149456382,1.2983303837001414,1.318452264500008,1.3334274399883788,second
+279,6.63,99,4.7868680137277165e+17,2.29,0.8285518175661483,187.9,Unknown,Acid,1,0.1394793024919546,0.0887088451080458,6.72,2.139759167449947,1.8727533802301484,1.8213594829118358,1.810364359627554,1.8074975033612892,1.8070468246540452,1.8069395998203532,1.8069369281507133,1.8066052672872075,1.8075286407333675,3.8,1.5098795837249734,1.376376690115074,1.350679741455918,1.3451821798137769,1.3437487516806448,1.3435234123270225,1.3434697999101766,1.3434684640753567,1.3433026336436038,1.3437643203666838,4.44,6.730120416275027,6.863623309884926,6.889320258544083,6.894817820186224,6.8962512483193565,6.8964765876729786,6.896530200089824,6.896531535924645,6.896697366356397,6.8962356796333175,third
+277,9.37,93,4.196918582621948e+17,4.73,1.5539252025038417,110.2,Ring,Enzyme,0,1.2162849755836147,0.9642584296650163,2.26,0.2252228635355619,0.12400992892277055,0.08598167305605625,0.06585897850241092,0.0534575812949191,0.044978635413468644,0.03888017079442334,0.034196209300428215,0.030534087144929112,0.02758504968234294,2.92,1.9026114317677811,1.8520049644613856,1.8329908365280285,1.8229294892512058,1.8167287906474598,1.8124893177067347,1.809440085397212,1.8070981046502146,1.805267043572465,1.803792524841172,0.98,1.9973885682322192,2.047995035538615,2.067009163471972,2.077070510748795,2.083271209352541,2.0875106822932663,2.090559914602789,2.0929018953497867,2.094732956427536,2.0962074751588293,third
+271,12.16,99,4.5989747906138086e+17,2.76,1.0152306797290584,149.4,Branched,Acid,1,0.03801409717148776,0.031387336212718595,8.47,5.690642392025733,4.364187690528215,3.6106171859058547,3.1410986863701313,2.8280537874874634,2.6115258124074536,2.45969448417202,2.348234834012614,2.266686997764252,2.206481220144811,2.84,2.84,2.84,2.84,2.84,2.84,2.84,2.84,2.84,2.84,2.84,1.73,3.119678803987134,3.782906154735893,4.159691407047074,4.394450656814935,4.550973106256269,4.659237093796274,4.7351527579139905,4.790882582993693,4.831656501117874,4.861759389927594,second
+271,5.19,98,3.931403766140548e+16,3.16,1.1505720275988207,198.6,Ring,None,0,0.005065076528164621,0.0036636094656528955,1.98,1.891887365139483,1.814585205406058,1.74603075799098,1.6846081717021222,1.629266608930655,1.5791458201278628,1.5334848725900436,1.4916221504585092,1.4529953547195835,1.4171415032046046,4.35,4.35,4.35,4.35,4.35,4.35,4.35,4.35,4.35,4.35,4.35,4.84,4.869370878286839,4.895138264864647,4.917989747336339,4.938463942765958,4.956911130356447,4.973618059957379,4.988838375803319,5.00279261651383,5.015668215093472,5.027619498931798,third
+271,8.12,96,3.5949964931187868e+16,2.31,0.8372475245337022,148.8,Ring,Acid,1,0.011252428301702562,0.006626882972556265,7.49,6.624891758028777,5.947845683932921,5.402655541433563,4.9581307062128035,4.592135846628322,4.284878202615368,4.01957045345154,3.7900259248743544,3.590926200141812,3.4169041595338343,1.77,1.77,1.77,1.77,1.77,1.77,1.77,1.77,1.77,1.77,1.77,2.42,2.8525541209856113,3.1910771580335395,3.4636722292832185,3.6859346468935983,3.868932076685839,4.022560898692316,4.1552147732742295,4.269987037562823,4.369536899929094,4.456547920233083,second
+276,13.45,92,8.450232751768638e+16,1.23,0.20701416938432612,124.0,Branched,Base,1,0.3271094929958378,0.25581501383462135,4.24,2.52062667805162,2.181831347825468,2.0953282862240585,2.0720609418439877,2.0652287678580343,2.0634252423010495,2.063086017357958,2.0627738661021757,2.0626630515965294,2.0631335788246754,4.25,2.53062667805162,2.1918313478254676,2.1053282862240583,2.0820609418439875,2.075228767858034,2.0734252423010493,2.0730860173579577,2.0727738661021755,2.072663051596529,2.073133578824675,3.29,5.00937332194838,5.348168652174532,5.434671713775941,5.457939058156013,5.464771232141967,5.466574757698951,5.466913982642042,5.4672261338978245,5.467336948403471,5.466866421175325,second
+274,4.77,98,1.0267631541631114e+17,1.57,0.45107561936021673,90.6,Unknown,Acid,0,0.021297716173319554,0.013415631088460386,7.75,7.732961827061344,7.7159236541226885,7.698885481184034,7.681847308245378,7.664809135306722,7.6477709623680665,7.630732789429411,7.613694616490755,7.596656443552099,7.579618270613444,1.6,1.6,1.6,1.6,1.6,1.6,1.6,1.6,1.6,1.6,1.6,4.61,4.627038172938656,4.644076345877312,4.661114518815967,4.678152691754622,4.695190864693278,4.712229037631934,4.7292672105705895,4.746305383509245,4.763343556447901,4.780381729386557,zero
+277,10.9,91,1.444276256174146e+17,1.15,0.13976194237515863,36.7,Branched,Base,1,0.9975027597874481,0.6527857355483976,3.63,1.9332502410725736,1.9315132420952095,1.9332770193670605,1.9334732655834346,1.9339454834507541,1.9328973653765475,1.9335960405233426,1.933494235747067,1.9325553804774194,1.93357804499124,4.89,4.89,4.89,4.89,4.89,4.89,4.89,4.89,4.89,4.89,4.89,4.85,5.698374879463713,5.699243378952394,5.6983614903164685,5.6982633672082805,5.698027258274621,5.698551317311725,5.698201979738327,5.698252882126464,5.698722309761289,5.698210977504378,second
+271,1.8,98,4.3471246802633683e+17,4.98,1.6054298910365616,86.7,Linear,Base,1,0.05600676117941115,0.0454072062718802,6.28,1.9667902159467627,1.5700865006489368,1.4360822579380472,1.3809516530404709,1.3556305366726382,1.3444667576267844,1.338752799956609,1.336692069588089,1.3353022235482725,1.3346757489759344,3.92,3.92,3.92,3.92,3.92,3.92,3.92,3.92,3.92,3.92,3.92,1.28,2.7177365946844128,2.8499711664503544,2.894639247353984,2.913016115653176,2.9214564877757874,2.9251777474577385,2.9270824000144637,2.9277693101373035,2.9282325921505756,2.9284414170080217,third
+279,11.39,92,1.4059193380654794e+17,2.0,0.6931471805599453,37.9,Linear,None,1,0.8375535332179572,0.6139707572817981,9.19,8.203342891399604,8.201401933553102,8.201266434120093,8.201265847082306,8.201732695148033,8.201640845602036,8.201535195675222,8.20118370488472,8.201307403076987,8.201411443886277,1.22,0.23334289139960615,0.23140193355310273,0.231266434120094,0.23126584708230694,0.23173269514803416,0.23164084560203874,0.23153519567522418,0.23118370488472417,0.23130740307699071,0.2314114438862827,1.6,2.5866571086003938,2.588598066446897,2.5887335658799056,2.5887341529176924,2.588267304851965,2.5883591543979607,2.5884648043247753,2.588816295115276,2.5886925969230092,2.588588556113717,second
+277,2.15,95,5.535016151837306e+16,3.74,1.3190856114264407,66.3,Ring,None,0,0.06730768502422518,0.051339759793666506,8.71,4.366486526350609,3.7978752346652422,3.587124871210839,3.490814781888851,3.442842214799397,3.418060459238741,3.4050270721663716,3.398060701558619,3.3943328080728405,3.392336100673119,2.66,0.4882432631753043,0.20393761733262075,0.098562435605419,0.050407390944424986,0.026421107399698177,0.01403022961937013,0.007513536083185359,0.0040303507793090195,0.0021664040364197967,0.0011680503365589176,0.65,2.821756736824696,3.1060623826673797,3.2114375643945814,3.2595926090555754,3.283578892600302,3.29596977038063,3.3024864639168148,3.305969649220691,3.3078335959635803,3.3088319496634413,third
+273,7.41,90,3.4485053728007776e+17,3.24,1.1755733298042381,92.5,Linear,Acid,1,2.073948518803248,1.1613389626127841,8.04,1.2405468889010078,1.240424679518547,1.2417788830613603,1.2426057432708344,1.2420719459250102,1.2411570796201277,1.2406314963763665,1.241142066791709,1.2422664262970122,1.2425439556902238,3.26,3.26,3.26,3.26,3.26,3.26,3.26,3.26,3.26,3.26,3.26,1.15,3.4164843703663315,3.4165251068271516,3.4160737056462143,3.4157980855763896,3.4159760180249976,3.416280973459958,3.4164561678745455,3.416285977736098,3.415911191234331,3.4158186814365936,third
+280,2.92,95,2.679011710648376e+17,4.84,1.5769147207285403,32.9,Unknown,Enzyme,0,0.5068359161412224,0.31507078319382487,1.12,0.5898514924599962,0.3992830946170428,0.30213107671456896,0.24261747265919148,0.2030625564671838,0.17430595678123945,0.1527848307419008,0.13611911011823755,0.1225997941740899,0.1115134518978533,3.94,3.94,3.94,3.94,3.94,3.94,3.94,3.94,3.94,3.94,3.94,1.2,1.465074253770002,1.5603584526914787,1.6089344616427157,1.6386912636704043,1.6584687217664082,1.6728470216093805,1.6836075846290497,1.6919404449408812,1.6987001029129551,1.7042432740510736,second
+271,10.61,91,4.618078524449691e+16,4.87,1.5830939370944985,100.2,Linear,Base,0,0.13297887347451867,0.11661105106478482,7.29,7.183616901220385,7.07723380244077,6.970850703661156,6.864467604881541,6.758084506101926,6.651701407322311,6.545318308542695,6.438935209763081,6.332552110983466,6.226169012203852,1.43,1.43,1.43,1.43,1.43,1.43,1.43,1.43,1.43,1.43,1.43,2.5,2.606383098779615,2.7127661975592297,2.819149296338845,2.9255323951184597,3.0319154938980746,3.13829859267769,3.2446816914573047,3.3510647902369195,3.4574478890165343,3.5638309877961487,zero
+270,8.36,91,2.7630405459354192e+17,2.72,1.000631880307906,106.1,Unknown,Acid,1,0.6850828846119356,0.4719083921597119,6.75,1.6983491444243084,1.6595254157581398,1.659423346609572,1.6609432490694607,1.6600527834718732,1.6581557945880157,1.6570171293504274,1.65896950422613,1.6601786156799323,1.659803792943168,3.04,3.04,3.04,3.04,3.04,3.04,3.04,3.04,3.04,3.04,3.04,1.45,3.975825427787846,3.99523729212093,3.995288326695214,3.99452837546527,3.994973608264064,3.995922102705993,3.9964914353247867,3.9955152478869356,3.9949106921600346,3.9950981035284165,second
+273,12.22,95,3.3487003009339315e+17,2.34,0.85015092936961,126.0,Unknown,Enzyme,0,0.22250019972171728,0.14738844948568214,4.36,0.8462709844909515,0.5091238277295032,0.36925787045818287,0.29150415943719943,0.2411304225229004,0.20622906492195447,0.18003027071681854,0.1599691753994065,0.14410678292988494,0.13102757257252448,4.06,2.3031354922454748,2.1345619138647507,2.064628935229091,2.025752079718599,2.0005652112614496,1.9831145324609765,1.9700151353584086,1.9599845876997024,1.9520533914649416,1.9455137862862615,4.94,6.696864507754525,6.865438086135248,6.9353710647709095,6.974247920281401,6.999434788738551,7.016885467539024,7.029984864641591,7.040015412300297,7.047946608535058,7.054486213713738,third
+274,9.69,95,4.697117224871185e+17,3.51,1.2556160374777743,36.4,Unknown,Base,1,0.36360255909207545,0.24260645157170874,5.49,2.1011016214312055,1.9387081414247533,1.9243673274152342,1.9230491045339229,1.9233342080805589,1.9231733520109409,1.9224474849541466,1.9243654859053951,1.9244353360140363,1.923473342573022,0.59,0.59,0.59,0.59,0.59,0.59,0.59,0.59,0.59,0.59,0.59,3.76,5.454449189284396,5.535645929287623,5.542816336292382,5.543475447733037,5.543332895959719,5.543413323994528,5.543776257522925,5.542817257047301,5.54278233199298,5.543263328713487,second
+279,8.05,98,1.056024354690879e+17,1.44,0.36464311358790924,120.8,Ring,Enzyme,0,0.04735435678311878,0.028744652605625733,7.49,7.211560111252937,6.943471219032855,6.685348446134244,6.436819739923695,6.197529797983335,5.967136652621241,5.745309812311994,5.531730261696691,5.326090461582931,5.128094348944828,2.57,2.57,2.57,2.57,2.57,2.57,2.57,2.57,2.57,2.57,2.57,4.24,4.24,4.24,4.24,4.24,4.24,4.24,4.24,4.24,4.24,4.24,first
+271,4.69,99,4.831899729209001e+17,3.93,1.3686394258811698,109.0,Branched,Enzyme,1,0.03993940262597551,0.034686172198987904,8.37,2.3222838952717058,1.820324447252848,1.640925437812377,1.5613665495367413,1.52390811311715,1.504171295217073,1.4949346586684613,1.4897915374306654,1.4870906521415201,1.4859152945617564,2.24,2.24,2.24,2.24,2.24,2.24,2.24,2.24,2.24,2.24,2.24,1.47,3.4859053682427645,3.6532251842490506,3.7130248540625406,3.7395444834877525,3.75203062896095,3.7586095682609755,3.761688447110513,3.7634028208564447,3.7643031159528264,3.764694901812748,third
+272,13.12,90,4.31759879965437e+17,4.94,1.5973653311998313,177.8,Ring,Enzyme,0,2.2443855470216523,1.6557258228937095,3.45,0.5732540603518032,0.09527814885103082,0.015844973771336895,0.00263669525104066,0.00043923084823918954,7.30011304065216e-05,1.2404987569025277e-05,2.2321414942437627e-06,4.97670782699736e-07,1.0732143634731708e-07,3.68,3.68,3.68,3.68,3.68,3.68,3.68,3.68,3.68,3.68,3.68,1.3,4.176745939648197,4.6547218511489685,4.734155026228663,4.747363304748959,4.749560769151761,4.749926998869594,4.749987595012431,4.749997767858506,4.749999502329217,4.749999892678564,first
+277,7.29,95,3.118958305592738e+16,3.57,1.2725655957915476,178.6,Unknown,Acid,1,0.03792759722423619,0.02469739054752634,9.88,6.340369680438405,4.773566882048218,3.9213334985136856,3.4093281407804854,3.074190123812473,2.850302455748157,2.6949316128740017,2.5835879662029284,2.505050279842075,2.4484900239173246,1.55,1.55,1.55,1.55,1.55,1.55,1.55,1.55,1.55,1.55,1.55,4.25,6.019815159780798,6.803216558975891,7.229333250743157,7.485335929609757,7.652904938093764,7.764848772125922,7.842534193563,7.898206016898536,7.937474860078963,7.965754988041338,second
+270,9.71,98,2.9716145388289856e+16,1.97,0.6780335427498971,165.7,Unknown,Base,1,0.003258877349487469,0.0020200341740009295,3.34,3.3377675868490337,3.3355629672717564,3.333385770251905,3.331235630250023,3.3291121871836964,3.3270150863246664,3.3249439783284296,3.3228985189464497,3.320878368947965,3.3188831941199877,0.85,0.8477675868490335,0.8455629672717562,0.8433857702519051,0.8412356302500227,0.8391121871836963,0.8370150863246666,0.8349439783284298,0.8328985189464498,0.8308783689479649,0.8288831941199877,3.19,3.192232413150966,3.1944370327282434,3.1966142297480946,3.198764369749977,3.2008878128163034,3.2029849136753334,3.20505602167157,3.20710148105355,3.2091216310520347,3.211116805880012,second
+277,3.16,92,1.7822998036474182e+17,3.89,1.358409157630355,67.0,Ring,Enzyme,0,0.7973795169666876,0.6942206696701282,1.41,0.7450687123770389,0.39355400602225393,0.20798312220403964,0.11007844064399094,0.05813278983264726,0.03074106453704174,0.016272932162174125,0.008592291982691378,0.004546124500286094,0.0024048731800492868,0.42,0.42,0.42,0.42,0.42,0.42,0.42,0.42,0.42,0.42,0.42,0.2,0.8649312876229609,1.2164459939777459,1.4020168777959603,1.499921559356009,1.5518672101673527,1.5792589354629583,1.593727067837826,1.6014077080173088,1.605453875499714,1.6075951268199509,first
+271,12.97,97,3.055806009387464e+17,1.67,0.5128236264286637,31.5,Ring,Base,0,0.061364733623390046,0.04856827241645035,6.41,1.7736809083761775,1.2786292995461224,1.0513074083072764,0.9138678803141395,0.8188409926202072,0.7483453878481138,0.6939887198766828,0.6495658604565403,0.612617319145601,0.581332741118777,1.04,1.04,1.04,1.04,1.04,1.04,1.04,1.04,1.04,1.04,1.04,1.42,2.9654396972079407,3.1304569001512923,3.206230863897574,3.2520440398952863,3.283719669126597,3.307218204050628,3.3253370933744386,3.340144713181153,3.3524608936181326,3.3628890862937406,third
+278,5.58,98,3.4394697351657824e+17,3.82,1.3402504226184837,58.2,Branched,Enzyme,0,0.13248794702711142,0.09830497280120769,1.56,0.978268330446561,0.7714861070975326,0.6574781623635458,0.5825243181416753,0.5285733448513894,0.4869542394529993,0.45414678351002385,0.4273092718576411,0.4044908640985275,0.384959418767016,0.99,0.99,0.99,0.99,0.99,0.99,0.99,0.99,0.99,0.99,0.99,0.13,0.323910556517813,0.39283796430082246,0.4308406125454847,0.45582522728610825,0.47380888504953683,0.48768192018233353,0.498617738829992,0.5075635760474528,0.5151697119671574,0.521680193744328,third
+277,11.73,99,2.4193235067162474e+17,1.96,0.6729444732424258,63.5,Ring,Base,1,0.05179903071616259,0.0439728206894215,2.26,2.254167465430255,2.2487650797134333,2.243761249498154,2.239126524975266,2.2348335298369504,2.2308569850149937,2.2271738536228773,2.223762579594576,2.2206030064800033,2.2176763774450103,2.1,2.1,2.1,2.1,2.1,2.1,2.1,2.1,2.1,2.1,2.1,2.49,2.495832534569745,2.5012349202865667,2.506238750501846,2.510873475024734,2.5151664701630496,2.5191430149850063,2.5228261463771227,2.526237420405424,2.5293969935199967,2.5323236225549897,first
+279,8.72,90,4.794796087490652e+17,3.0,1.0986122886681098,85.4,Linear,Acid,1,6.765154204538317,5.969593214721457,3.18,2.196075147753744,2.19668539244,2.1993750945740755,2.198214219968714,2.1954035808364893,2.196437213652015,2.19932873728049,2.1988600178821702,2.1966955148240532,2.1980012917030787,0.89,0.89,0.89,0.89,0.89,0.89,0.89,0.89,0.89,0.89,0.89,4.98,5.471962426123127,5.47165730378,5.470312452712959,5.470892890015642,5.472298209581754,5.47178139317399,5.470335631359753,5.470569991058913,5.4716522425879734,5.470999354148462,second
+273,2.05,91,9.018958788926522e+16,2.42,0.883767540168595,169.7,Branched,Enzyme,0,0.3491249440648406,0.18886146431413461,3.87,2.9269080841394084,2.2134881816506358,1.6728557132478459,1.2656160973814263,0.9585002161822127,0.7245683744893369,0.5478149498775274,0.41482256636562154,0.31391362853353133,0.23741861134288333,4.85,4.85,4.85,4.85,4.85,4.85,4.85,4.85,4.85,4.85,4.85,2.76,3.7030919158605915,4.416511818349364,4.957144286752154,5.364383902618574,5.671499783817787,5.905431625510663,6.082185050122472,6.215177433634379,6.316086371466469,6.392581388657116,first
+275,2.25,90,1.464887819075644e+17,0.57,-0.5621189181535413,45.3,Branched,Base,0,1.1754762367498253,0.8886546635744131,7.49,6.35000006365647,6.35000281100508,6.34999824123517,6.3500012369822,6.349998044790826,6.350001712667061,6.349998825972812,6.350001596168362,6.34999901001253,6.3500004758624335,0.57,3.1828235352981596e-08,1.405502539908199e-06,-8.79382415945171e-07,6.184910995913291e-07,-9.776045872463883e-07,8.563335308665007e-07,-5.87013593794433e-07,7.980841812283162e-07,-4.949937347134172e-07,2.3793121717161537e-07,0.9,1.4699999681717644,1.46999859449746,1.4700008793824164,1.4699993815089007,1.4700009776045877,1.4699991436664694,1.4700005870135942,1.469999201915819,1.4700004949937349,1.469999762068783,third
+270,8.66,90,4.995484347181248e+17,2.02,0.7030975114131134,114.8,Ring,Enzyme,1,1.9337578029825155,1.6907852229812945,3.92,3.074316513586053,3.073285616028464,3.075429974538555,3.0733873420339886,3.0752222167471976,3.0732770589133223,3.0750667471012805,3.0730559128248567,3.07501449781974,3.074510651580418,2.25,1.4043165135860531,1.4032856160284646,1.4054299745385552,1.4033873420339882,1.4052222167471973,1.4032770589133217,1.4050667471012803,1.403055912824856,1.4050144978197394,1.4045106515804175,4.09,4.935683486413948,4.936714383971537,4.934570025461446,4.936612657966014,4.934777783252806,4.936722941086681,4.934933252898722,4.936944087175146,4.934985502180263,4.935489348419584,second
+270,3.44,91,3.7775920466608403e+17,4.88,1.5851452198650557,155.9,Branched,None,1,0.9366361489050703,0.6188213660604552,3.29,1.3355988513456523,1.3218157202354095,1.3223312457378802,1.3221615658687977,1.3209787927403052,1.322807611992031,1.3223192293166484,1.3209428283421767,1.32286986959531,1.3223900916288414,2.34,2.34,2.34,2.34,2.34,2.34,2.34,2.34,2.34,2.34,2.34,1.66,2.6372005743271743,2.6440921398822956,2.64383437713106,2.6439192170656014,2.644510603629848,2.643596194003985,2.643840385341676,2.644528585828912,2.643565065202345,2.6438049541855797,second
+278,5.66,94,1.2446469944103837e+17,1.6,0.47000362924573563,97.1,Branched,Enzyme,0,0.2706049719012901,0.23144652086188436,2.32,1.8683917676425883,1.5047113603348725,1.2111053196051318,0.9746769852787701,0.7852577555532169,0.6333922484563835,0.5104582302631784,0.4110404511784942,0.3310564294764146,0.26666407583187807,2.57,2.57,2.57,2.57,2.57,2.57,2.57,2.57,2.57,2.57,2.57,2.19,2.19,2.19,2.19,2.19,2.19,2.19,2.19,2.19,2.19,2.19,first
+275,8.65,93,4.816815015146509e+17,4.21,1.43746264769429,120.8,Unknown,Base,1,1.0406781519160586,0.6977125295228247,7.91,1.681384611311736,1.6782138180338495,1.6816160871842896,1.6784529351916546,1.6814607422735917,1.678426905979069,1.6814920135836906,1.6782882316051957,1.6816126457494764,1.6800613251288836,3.67,3.67,3.67,3.67,3.67,3.67,3.67,3.67,3.67,3.67,3.67,4.99,7.066205129562755,7.067262060655383,7.066127970938571,7.067182354936116,7.066179752575471,7.067191031340313,7.066169328805439,7.067237256131605,7.06612911808351,7.066646224957041,third
+270,1.16,99,3.2217120547582765e+17,1.39,0.3293037471426003,188.3,Linear,Base,0,0.02263047379125311,0.018845534297855595,2.54,2.196714705981611,1.9552897813517456,1.7726316972882865,1.6300240677035343,1.5148811885941424,1.4177398482691481,1.334899339961149,1.2635860582091138,1.2013365867914894,1.1462470501729949,1.79,1.6183573529908055,1.4976448906758728,1.4063158486441432,1.3350120338517673,1.2774405942970712,1.2288699241345742,1.1874496699805746,1.1517930291045568,1.1206682933957448,1.0931235250864975,1.43,1.6016426470091947,1.7223551093241272,1.8136841513558568,1.8849879661482327,1.9425594057029287,1.9911300758654258,2.0325503300194256,2.068206970895443,2.0993317066042554,2.1268764749135025,third
+274,2.83,91,4.122424035807042e+17,4.75,1.55814461804655,128.4,Branched,Enzyme,0,1.8472480812372656,1.5291438653706835,3.57,0.8151982170419552,0.18633046171978926,0.0425528745598695,0.009729707825819252,0.002221460015080158,0.0005080050401255698,0.00011623556955623285,2.6490776997920576e-05,6.080113459064297e-06,1.591575708965077e-06,1.85,1.85,1.85,1.85,1.85,1.85,1.85,1.85,1.85,1.85,1.85,3.5,3.5,3.5,3.5,3.5,3.5,3.5,3.5,3.5,3.5,3.5,first
+270,4.19,94,2.7327019544146835e+17,1.73,0.5481214085096876,141.1,Ring,Enzyme,0,0.17805012231264755,0.1187104133062026,4.42,4.281515029515952,4.208415595419433,4.168770020422794,4.146960634963754,4.134975667985835,4.1283146193519755,4.124621040400942,4.122573194569286,4.121429005780714,4.120796434931671,0.3,0.16151502951595273,0.08841559541943284,0.04877002042279453,0.026960634963754115,0.014975667985834181,0.008314619351974886,0.004621040400941324,0.0025731945692856572,0.0014290057807135879,0.000796434931669816,4.35,4.4884849704840475,4.561584404580566,4.601229979577205,4.623039365036245,4.635024332014164,4.641685380648024,4.645378959599058,4.6474268054307135,4.648570994219286,4.649203565068329,second
+274,6.6,99,1.734780726777553e+17,1.19,0.17395330712343798,77.2,Branched,Base,1,0.023198670186176978,0.02042176547266682,7.79,7.223900330020079,6.770597752724976,6.401778350228987,6.098531627391333,5.845552393427763,5.631420343398899,5.449478315178578,5.294212653708522,5.1608643765564866,5.045464813062338,4.44,3.8739003300200796,3.420597752724977,3.0517783502289877,2.7485316273913334,2.4955523934277632,2.2814203433988998,2.0994783151785783,1.9442126537085223,1.8108643765564867,1.695464813062339,0.39,0.9560996699799207,1.4094022472750232,1.7782216497710122,2.0814683726086667,2.334447606572237,2.5485796566011003,2.7305216848214218,2.885787346291478,3.019135623443513,3.134535186937661,second
+275,1.68,95,1.259438361924156e+17,0.93,-0.07257069283483537,107.4,Ring,None,1,0.11345702072344646,0.10140129299184517,9.03,8.376084580387586,7.825330630049127,7.360769977704616,6.969869818103028,6.641618615398823,6.365862840860779,6.133307066246723,5.936832516222517,5.771414621468821,5.632133482715916,1.1,1.1,1.1,1.1,1.1,1.1,1.1,1.1,1.1,1.1,1.1,1.33,1.983915419612413,2.5346693699508727,2.999230022295383,3.3901301818969714,3.718381384601176,3.9941371591392203,4.226692933753276,4.423167483777482,4.588585378531178,4.727866517284084,first
+272,6.15,100,3.3693198383950304e+17,3.38,1.2178757094949273,173.2,Branched,Base,0,0.021034727124267228,0.010545771513279548,8.47,8.062523077351951,7.722875629243086,7.43574558210932,7.191291132486629,6.982557705654301,6.803200227657441,6.64748286327091,6.510286175177345,6.388915954082161,6.281852127142849,3.14,2.7325230773519524,2.392875629243087,2.1057455821093205,1.8612911324866297,1.6525577056543013,1.4732002276574407,1.3174828632709104,1.1802861751773455,1.0589159540821609,0.9518521271428487,3.23,3.6374769226480477,3.977124370756913,4.26425441789068,4.508708867513371,4.717442294345699,4.896799772342559,5.05251713672909,5.189713824822655,5.3110840459178394,5.418147872857151,second
+273,3.38,91,1.7623374983275098e+17,1.5,0.4054651081081644,36.7,Unknown,Acid,0,0.6822028960620142,0.46204793070560324,7.09,0.8137358925745751,0.431644770754154,0.2937730041485801,0.2228200826798475,0.17918145984543504,0.15012332549341986,0.12894518207151523,0.11309399994715193,0.100795886471607,0.09081114580743238,1.82,1.82,1.82,1.82,1.82,1.82,1.82,1.82,1.82,1.82,1.82,2.92,6.058132053712713,6.2491776146229245,6.318113497925711,6.353589958660077,6.3754092700772835,6.389938337253291,6.400527408964243,6.408453000026425,6.414602056764197,6.419594427096285,second
+273,2.75,100,2.074310378615636e+17,4.52,1.5085119938441398,123.4,Branched,Base,1,0.01522702018514229,0.010159435599261005,4.45,4.023331075495643,3.6755657591365405,3.3866863014509194,3.144709690851186,2.9399971490805124,2.7642590387873778,2.6107910424069414,2.4764446182978053,2.3583746059859583,2.253975562152355,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,0.47,0.6833344622521785,0.8572171204317302,1.0016568492745406,1.1226451545744074,1.225001425459744,1.3128704806063114,1.3896044787965296,1.4567776908510977,1.5158126970070211,1.5680122189238228,second
+279,9.16,90,2.0598094746443464e+16,0.95,-0.05129329438755058,46.9,Unknown,None,0,0.290626096994896,0.15958437634078096,9.22,9.179999571296934,9.18000044112042,9.180000485493299,9.180000643631743,9.180003070833907,9.180001474458908,9.180001193821134,9.180000683444614,9.179999537887504,9.180000228606199,0.02,-2.1435153269694968e-07,2.2056021016429107e-07,2.4274664976742227e-07,3.218158725892824e-07,1.5354169545357357e-06,7.37229454666397e-07,5.96910567721014e-07,3.417223071420586e-07,-2.310562488311226e-07,1.1430309873238082e-07,3.98,4.000000214351532,3.999999779439789,3.9999997572533488,3.9999996781841256,3.9999984645830438,3.9999992627705434,3.999999403089431,3.9999996582776918,4.000000231056248,3.999999885696901,third
+275,8.4,100,4.694710001254838e+16,1.68,0.5187937934151675,73.5,Branched,Enzyme,1,0.004747972550921745,0.0024516604044359054,1.28,1.2651891756557392,1.250926312407922,1.237182797626711,1.2239319884574837,1.2111491017295608,1.1988112357798995,1.1868968328837592,1.1753856371620282,1.1642586945812232,1.15349835295349,1.55,1.5425945878278695,1.535463156203961,1.5285913988133553,1.5219659942287418,1.5155745508647802,1.5094056178899495,1.5034484164418793,1.4976928185810139,1.4921293472906114,1.4867491764767446,1.07,1.0774054121721306,1.0845368437960392,1.0914086011866448,1.0980340057712583,1.10442544913522,1.1105943821100506,1.1165515835581208,1.1223071814189862,1.1278706527093887,1.1332508235232555,third
+270,6.55,94,2.1217644582692208e+17,3.26,1.1817271953786161,162.8,Unknown,None,1,0.1382442826240741,0.07647301080531765,9.83,8.708727066490203,8.708531532762473,8.708537058777477,8.708549755754195,8.70853416726641,8.70852885288276,8.708545698442943,8.708522063356556,8.708564382886745,8.708540235042598,0.57,0.009363533245100912,0.009265766381236397,0.009268529388739259,0.009274877877097822,0.009267083633205733,0.009264426441380204,0.009272849221471363,0.00926103167827744,0.00928219144337123,0.009270117521298575,0.71,1.2706364667548988,1.2707342336187635,1.2707314706112605,1.2707251221229021,1.270732916366794,1.2707355735586194,1.2707271507785283,1.2707389683217223,1.2707178085566284,1.2707298824787008,third
+277,12.07,97,3.364705306535766e+17,1.21,0.1906203596086497,36.3,Ring,Enzyme,0,0.17168555536771207,0.12092552517273604,7.9,7.762651555705831,7.625303111411661,7.487954667117491,7.3506062228233215,7.213257778529152,7.075909334234982,6.938560889940812,6.801212445646643,6.663864001352473,6.526515557058303,1.57,1.57,1.57,1.57,1.57,1.57,1.57,1.57,1.57,1.57,1.57,0.61,0.7473484442941696,0.8846968885883394,1.022045332882509,1.1593937771766787,1.2967422214708484,1.4340906657650183,1.5714391100591882,1.708787554353358,1.8461359986475276,1.9834844429416973,zero
+273,11.37,90,4.80792764142541e+17,1.96,0.6729444732424258,171.9,Unknown,Enzyme,1,2.891511925454517,1.9857633585669985,4.69,2.228792766362092,2.179261261295162,2.1784833353877726,2.17932517924464,2.178099034470931,2.176729376800782,2.17670504046315,2.178564773166037,2.179941404127285,2.179389029753919,1.72,1.72,1.72,1.72,1.72,1.72,1.72,1.72,1.72,1.72,1.72,0.66,3.121207233637909,3.170738738704839,3.1715166646122284,3.170674820755361,3.17190096552907,3.173270623199219,3.173294959536851,3.171435226833964,3.170058595872716,3.170610970246082,first
+275,5.11,98,3.154047137846805e+17,3.68,1.3029127521808397,59.1,Linear,None,0,0.07650144178309634,0.042752226914218636,6.31,6.248798846573522,6.187597693147045,6.1263965397205675,6.065195386294091,6.003994232867615,5.942793079441137,5.88159192601466,5.820390772588183,5.759189619161706,5.697988465735229,2.76,2.76,2.76,2.76,2.76,2.76,2.76,2.76,2.76,2.76,2.76,2.46,2.521201153426477,2.5824023068529542,2.643603460279431,2.704804613705908,2.7660057671323854,2.8272069205588624,2.8884080739853397,2.9496092274118166,3.0108103808382936,3.072011534264771,zero
+276,8.55,98,3.4084291762053844e+16,3.48,1.247032293786383,106.2,Branched,Base,0,0.00965610737227982,0.008472851906601289,3.8,3.0041957961498045,2.515351314414279,2.177448351253463,1.9287960656153669,1.7346849399809874,1.580248872445507,1.4541558525933143,1.3476618980702435,1.256601048497436,1.177974544887382,4.73,4.3320978980749025,4.087675657207139,3.9187241756267315,3.7943980328076834,3.6973424699904935,3.620124436222753,3.5570779262966568,3.503830949035122,3.458300524248718,3.418987272443691,1.01,1.4079021019250977,1.6523243427928604,1.8212758243732685,1.9456019671923164,2.0426575300095062,2.1198755637772466,2.182922073703343,2.2361690509648784,2.281699475751282,2.321012727556309,third
+278,1.78,94,3.5392760903487277e+17,1.23,0.20701416938432612,138.1,Branched,Enzyme,0,0.7694918408841138,0.48406484364230573,5.76,0.7136704075020636,0.3806495493021978,0.25953847878892033,0.1969304544042317,0.1584939754270749,0.13280126090712285,0.11416132953058622,0.10009409315039201,0.08922197503403091,0.08042969576611472,2.21,2.21,2.21,2.21,2.21,2.21,2.21,2.21,2.21,2.21,2.21,1.5,4.0231647962489685,4.189675225348901,4.25023076060554,4.281534772797884,4.300753012286462,4.313599369546439,4.322919335234706,4.329952953424804,4.335389012482984,4.339785152116942,second
+276,5.96,100,4.4840682049686163e+17,2.73,1.0043016091968684,51.8,Unknown,Enzyme,1,0.05313668624132943,0.036084044381505365,2.64,1.7166199671720386,1.4608782685737676,1.354203043519961,1.3035675661904917,1.27701939381669,1.263962312476064,1.2564959378501959,1.252593902071226,1.250932494110587,1.249683027648367,4.58,4.58,4.58,4.58,4.58,4.58,4.58,4.58,4.58,4.58,4.58,2.4,2.707793344275987,2.7930405771420777,2.8285989854933464,2.845477477936503,2.85432686872777,2.8586792291746455,2.8611680207166015,2.8624686993095914,2.8630225019631377,2.8634389907838775,third
+276,1.47,99,2.6744466329996534e+17,4.23,1.4422019930581866,170.5,Branched,Enzyme,0,0.04900258276775648,0.028423395913993895,8.5,2.0071942096451134,1.440438204067168,1.1813135328766187,1.0253083928210391,0.9185671066672978,0.839628236898413,0.7774073350289863,0.7276402251572022,0.6866929433192556,0.651687149079336,4.76,4.76,4.76,4.76,4.76,4.76,4.76,4.76,4.76,4.76,4.76,2.47,4.6342685967849615,4.823187265310944,4.909562155707794,4.961563869059654,4.9971442977775675,5.023457254367196,5.044197554990339,5.060786591614266,5.074435685560249,5.086104283640222,third
+273,3.49,93,3.887596298304528e+17,1.25,0.22314355131420976,148.2,Ring,Acid,0,0.6234770333236975,0.4547014715034389,8.34,5.063530659013427,3.0752181379450954,1.8668369989824147,1.135350920041351,0.6893319110282011,0.4190822265879616,0.25449704267130724,0.15469394969266953,0.09396048431245657,0.057132527168757836,3.07,3.07,3.07,3.07,3.07,3.07,3.07,3.07,3.07,3.07,3.07,2.12,2.12,2.12,2.12,2.12,2.12,2.12,2.12,2.12,2.12,2.12,first
+278,12.99,97,4.2874601303617786e+17,1.06,0.058268908123975824,129.4,Unknown,Base,0,0.25455764669869346,0.13440453156934554,5.17,1.6681593256744531,0.9951256316216852,0.7085876527116215,0.5505101505277666,0.45001184871970334,0.3806082994750735,0.32947365346878765,0.29085355896572246,0.2601822645528979,0.23525278458344254,1.02,1.02,1.02,1.02,1.02,1.02,1.02,1.02,1.02,1.02,1.02,2.11,3.860920337162773,4.197437184189157,4.340706173644189,4.419744924736116,4.469994075640147,4.504695850262462,4.530263173265605,4.549573220517138,4.564908867723551,4.577373607708278,second
+275,8.55,100,1.2908491976777336e+17,0.87,-0.13926206733350766,117.9,Branched,Enzyme,0,0.013054941745741596,0.008125681194251484,7.01,6.9642585677253965,6.921994175726827,6.882905382965836,6.846718950193542,6.813203261686672,6.782144428918452,6.753343920224636,6.726618560803515,6.70180053271591,6.678737374885178,0.65,0.6042585677253977,0.5619941757268276,0.5229053829658367,0.48671895019354205,0.4532032616866731,0.42214442891845266,0.39334392022463704,0.3666185608035156,0.34180053271591093,0.3187373748851787,1.81,1.8557414322746024,1.8980058242731725,1.9370946170341634,1.9732810498064581,2.006796738313327,2.0378555710815474,2.0666560797753633,2.0933814391964845,2.1181994672840894,2.1412626251148215,second
+278,3.91,96,3.210038125830277e+17,1.57,0.45107561936021673,92.8,Ring,Base,0,0.2937632188189765,0.18897592745332334,4.39,0.9890203124228024,0.6361247154725116,0.4811475429581318,0.39143110008360543,0.3312822634439364,0.28857140857671665,0.25596644010063774,0.23027949283169044,0.20965420867685136,0.19257610894119673,3.0,1.2995101562114015,1.1230623577362562,1.0455737714790663,1.0007155500418032,0.9706411317219688,0.9492857042883589,0.9329832200503194,0.9201397464158457,0.9098271043384263,0.9012880544705989,2.84,4.540489843788598,4.716937642263744,4.794426228520934,4.839284449958197,4.869358868278032,4.890714295711642,4.90701677994968,4.9198602535841545,4.930172895661574,4.938711945529401,third
+275,12.71,97,3.179096519485749e+17,1.83,0.6043159668533296,97.1,Branched,Acid,0,0.11941425122702862,0.1009694041558649,8.42,3.2356435332482247,2.0014161917676887,1.4499509039904377,1.1360270712074598,0.9340734404413206,0.7928222881305026,0.6894987687681304,0.6091869738404923,0.5457555464848818,0.4943119481701086,1.74,1.74,1.74,1.74,1.74,1.74,1.74,1.74,1.74,1.74,1.74,2.54,5.132178233375887,5.749291904116155,6.02502454800478,6.181986464396269,6.282963279779339,6.353588855934748,6.405250615615934,6.445406513079753,6.477122226757559,6.502844025914945,second
+273,9.72,91,4.256726360706875e+16,3.14,1.144222799920162,82.5,Unknown,None,0,0.1647783726881855,0.09208033018554354,6.36,4.400901023308434,3.59043123421096,3.1650517437503836,2.9134826887899696,2.7541718544804343,2.6482036063963155,2.5760654593296763,2.525958472596671,2.4904949486918695,2.4653212005349534,3.96,2.0009010233084337,1.1904312342109602,0.7650517437503835,0.5134826887899695,0.3541718544804344,0.2482036063963155,0.17606545932967652,0.12595847259667073,0.09049494869186937,0.06532120053495354,3.47,5.4290989766915665,6.2395687657890395,6.664948256249616,6.916517311210031,7.075828145519566,7.181796393603684,7.253934540670324,7.30404152740333,7.339505051308131,7.364678799465047,second
+278,4.71,92,1.5904098344698954e+17,4.45,1.4929040961781488,177.2,Ring,None,0,0.8214875370094299,0.6716959923862489,6.43,5.772809970392456,5.115619940784912,4.458429911177368,3.801239881569825,3.144049851962281,2.486859822354736,1.829669792747191,1.1724797631396475,0.5152897335321018,-0.1419002960754412,4.73,4.73,4.73,4.73,4.73,4.73,4.73,4.73,4.73,4.73,4.73,4.25,4.907190029607544,5.564380059215088,6.221570088822632,6.878760118430175,7.535950148037719,8.193140177645263,8.850330207252808,9.507520236860351,10.164710266467898,10.821900296075441,zero
+272,10.17,95,4.162190307096154e+17,4.01,1.3887912413184778,152.7,Branched,None,1,0.237108348009283,0.20334550372084334,3.92,3.324844660936644,2.906021388956149,2.612204557151163,2.4056009816289956,2.259838002057052,2.1581053409602418,2.086195092096056,2.035305058365277,2.0001105145513534,1.9754269634470816,3.25,3.25,3.25,3.25,3.25,3.25,3.25,3.25,3.25,3.25,3.25,0.23,0.8251553390633556,1.2439786110438509,1.5377954428488367,1.7443990183710043,1.8901619979429478,1.9918946590397582,2.063804907903944,2.114694941634723,2.149889485448647,2.174573036552919,first
+271,10.23,95,4.2290420788968755e+17,3.47,1.244154593958768,133.4,Branched,None,0,0.20632150652701858,0.13642867265891845,9.66,8.158614232336983,7.816477963565719,7.725137814805694,7.699861257823649,7.6927750229695215,7.690779819993281,7.690219221448482,7.6900616429640145,7.690017261518079,7.690005040547496,1.97,0.46861423233698224,0.12647796356571855,0.03513781480569444,0.009861257823649182,0.0027750229695219617,0.0007798199932821221,0.00021922144848285518,6.164296401568152e-05,1.7261518079768487e-05,5.040547497043927e-06,1.87,3.371385767663018,3.713522036434282,3.804862185194306,3.8301387421763513,3.8372249770304783,3.839220180006718,3.8397807785515172,3.8399383570359844,3.8399827384819205,3.839994959452503,second
+279,8.03,98,2.3417081968725306e+17,0.76,-0.2744368457017603,99.3,Ring,Acid,0,0.10500712880728538,0.0691580849688443,3.07,2.9859942969541717,2.901988593908343,2.8179828908625146,2.7339771878166865,2.6499714847708584,2.56596578172503,2.4819600786792013,2.3979543756333728,2.3139486725875447,2.229942969541716,2.75,2.75,2.75,2.75,2.75,2.75,2.75,2.75,2.75,2.75,2.75,3.29,3.374005703045828,3.4580114060916567,3.5420171091374852,3.6260228121833133,3.7100285152291415,3.79403421827497,3.8780399213207986,3.9620456243666267,4.046051327412456,4.130057030458284,zero
+273,9.43,97,4.5058419945729805e+17,0.85,-0.16251892949777494,48.8,Unknown,None,0,0.12403518706860087,0.0755448960259495,5.97,2.7419748743050487,1.7775998863298603,1.3149249407017172,1.0445790483499826,0.8649422188682591,0.7393493444489997,0.6447345771832865,0.5715929424204372,0.5139120038998324,0.46665826889806633,3.41,3.41,3.41,3.41,3.41,3.41,3.41,3.41,3.41,3.41,3.41,3.78,5.394012562847475,5.87620005683507,6.107537529649141,6.2427104758250085,6.332528890565871,6.3953253277755,6.442632711408357,6.479203528789781,6.508043998050083,6.531670865550966,second
+272,9.96,91,7.129281500721897e+16,3.59,1.2781522025001875,79.4,Ring,Enzyme,0,0.23815235952637806,0.16561791773709647,4.37,3.611915294686701,2.9853595202216425,2.466387900731548,2.037055388829696,1.6835495039446648,1.3928904138403035,1.1529269815942143,0.9531331209842788,0.7877883211622468,0.6511440835509522,0.39,0.39,0.39,0.39,0.39,0.39,0.39,0.39,0.39,0.39,0.39,2.98,2.98,2.98,2.98,2.98,2.98,2.98,2.98,2.98,2.98,2.98,first
+276,4.95,93,3.8960462131335155e+17,2.6,0.9555114450274363,186.5,Linear,Enzyme,0,0.9754068447865732,0.6711390532577624,8.9,0.4627037053348595,0.3271896052180091,0.26733813604725787,0.23143209040400736,0.20711983002266265,0.18895454562647523,0.17500850986982674,0.1637829908310369,0.15437546076691988,0.1464228333618523,1.92,1.92,1.92,1.92,1.92,1.92,1.92,1.92,1.92,1.92,1.92,4.52,7.332432098221714,7.37760346492733,7.397553954650914,7.409522636531997,7.417626723325778,7.423681818124508,7.428330496710057,7.432072336389654,7.435208179744359,7.437859055546048,third
+275,11.62,92,1.7847108038000595e+17,0.99,-0.01005033585350145,88.0,Unknown,Base,1,0.5971388500184618,0.3144897893954642,7.88,1.534181118211965,1.5356798702946048,1.5352006281789092,1.533942252304305,1.5333763406653638,1.532953674592411,1.5332462272143697,1.5338615845657593,1.5348412354247738,1.534847914718985,4.6,4.6,4.6,4.6,4.6,4.6,4.6,4.6,4.6,4.6,4.6,4.74,6.855272960596011,6.854773376568464,6.854933123940364,6.855352582565232,6.855541219778213,6.855682108469197,6.855584590928544,6.855379471811415,6.855052921525076,6.855050695093673,third
+271,12.62,100,2.7625725988303046e+17,1.2,0.1823215567939546,193.5,Unknown,Base,0,0.014650169208816595,0.013181251696133794,8.1,3.425079812455408,2.5386955786941385,2.106285908278956,1.8401099265188503,1.653869230625462,1.5161382766325575,1.406578174307012,1.3179082912845015,1.2445456100271737,1.1821270732075808,2.14,2.14,2.14,2.14,2.14,2.14,2.14,2.14,2.14,2.14,2.14,3.03,4.58830672918153,4.883768140435286,5.027904697240348,5.116630024493716,5.178710256458179,5.224620574455813,5.261140608564328,5.290697236238499,5.315151463324274,5.335957642264138,third
+271,9.17,98,4.6442038735458624e+17,0.64,-0.4462871026284195,153.2,Branched,None,1,0.05983422062751162,0.040276553639950766,3.88,3.869207669425363,3.8607200263281047,3.854041210638648,3.8486973662700943,3.8444243791861594,3.841114140449831,3.838621142724108,3.8367622129347647,3.835316512270349,3.834050610689317,0.48,0.4692076694253631,0.4607200263281047,0.45404121063864783,0.4486973662700946,0.44442437918615946,0.44111414044983094,0.4386211427241082,0.43676221293476486,0.4353165122703493,0.43405061068931716,2.39,2.400792330574637,2.4092799736718953,2.415958789361352,2.4213026337299057,2.4255756208138406,2.428885859550169,2.431378857275892,2.4332377870652353,2.434683487729651,2.435949389310683,second
+271,11.62,91,4.345815819763402e+17,2.62,0.9631743177730056,196.2,Ring,Base,1,1.251389921111712,0.8845832134131273,6.29,1.454181702457788,1.4543922601177108,1.4545670538031081,1.4544198133359147,1.4539599323440768,1.4532746574045239,1.4525573940025034,1.4520828722864578,1.4520689054689768,1.4539432924237048,3.95,3.95,3.95,3.95,3.95,3.95,3.95,3.95,3.95,3.95,3.95,2.73,4.341939432514069,4.341869246627429,4.341810982065629,4.34186006222136,4.342013355885306,4.342241780865158,4.342480868665831,4.34263904257118,4.342643698177006,4.342018902525429,third
+276,8.83,96,1.3359926882111814e+17,1.6,0.47000362924573563,162.6,Branched,Base,1,0.09048517866008679,0.04546638631808045,9.4,8.87725392548414,8.408381225408514,7.9875471665994064,7.609766513722353,7.271035029213387,6.967562229847888,6.695766482250203,6.452275002893637,6.233923858100456,6.037757964041891,4.01,4.01,4.01,4.01,4.01,4.01,4.01,4.01,4.01,4.01,4.01,3.54,4.06274607451586,4.531618774591486,4.952452833400593,5.330233486277646,5.668964970786613,5.972437770152111,6.244233517749796,6.487724997106363,6.706076141899543,6.902242035958109,first
+274,13.99,90,2.8989333447272186e+17,3.57,1.2725655957915476,148.7,Ring,Acid,0,2.014907204742958,1.5808727340064972,4.18,2.568074236205632,0.9561484724112662,-0.6557772913831008,-2.267703055177467,-3.879628818971835,-5.491554582766206,-7.103480346560568,-8.715406110354934,-10.327331874149303,-11.939257637943665,3.28,3.28,3.28,3.28,3.28,3.28,3.28,3.28,3.28,3.28,3.28,3.94,5.551925763794367,7.163851527588733,8.7757772913831,10.387703055177466,11.999628818971834,13.611554582766203,15.223480346560567,16.83540611035493,18.447331874149302,20.059257637943666,zero
+276,10.43,99,2.3557240245521652e+16,3.17,1.1537315878891892,151.3,Unknown,Base,0,0.004316278368270765,0.0029114501366530703,8.97,8.968170253969049,8.966396658301434,8.96467746363783,8.963010982041194,8.961395586523304,8.959829696498511,8.95831177771434,8.956840342251471,8.955413948523754,8.954031201278196,0.06,0.05817025396904854,0.05639665830143328,0.05467746363782745,0.05301098204119247,0.05139558652330119,0.049829696498509636,0.04831177771433766,0.0468403422514689,0.04541394852375082,0.044031201278194695,0.01,0.011829746030951452,0.013603341698566713,0.015322536362172548,0.01698901795880753,0.018604413476698813,0.020170303501490364,0.02168822228566234,0.0231596577485311,0.024586051476249173,0.025968798721805304,second
+271,6.17,92,3.960007485000442e+17,0.5,-0.6931471805599453,167.4,Ring,Enzyme,0,0.7315813615924667,0.5009981752098253,3.69,3.1047349107260267,2.519469821452053,1.9342047321780798,1.3489396429041065,0.763674553630133,0.17840946435615956,-0.40685562491781324,-0.9921207141917865,-1.5773858034657602,-2.162650892739734,1.75,1.75,1.75,1.75,1.75,1.75,1.75,1.75,1.75,1.75,1.75,1.1,1.6852650892739736,2.270530178547947,2.8557952678219203,3.4410603570958935,4.026325446369867,4.61159053564384,5.196855624917813,5.7821207141917865,6.36738580346576,6.952650892739734,zero
+278,3.26,93,4.590343373816128e+17,1.12,0.11332868530700327,61.6,Branched,None,0,1.5382818831979788,0.9409841382730838,4.07,2.499081058439474,2.4523688384785745,2.4501166882827774,2.4500057390454724,2.450000308914703,2.4500000767852956,2.449999085289548,2.4499998401852277,2.4499999505296093,2.45000025659535,1.62,0.04908105843947358,0.002368838478573927,0.00011668828277667788,5.739045471558858e-06,3.089147022068883e-07,7.678529484351169e-08,-9.14710453051761e-07,-1.5981477309653386e-07,-4.94703916791549e-08,2.565953489117216e-07,3.52,5.090918941560527,5.137631161521427,5.139883311717225,5.13999426095453,5.139999691085299,5.139999923214707,5.1400009147104555,5.140000159814774,5.140000049470394,5.139999743404654,second
+276,5.29,100,3.2821822635846016e+17,3.99,1.3837912309017721,47.7,Unknown,None,0,0.038894209711997904,0.024742613091234714,3.63,2.9608985761637423,2.5009243066142286,2.1630585755226344,1.907975251301508,1.7080642109902437,1.5437117096632291,1.4081938001612875,1.2953444334549036,1.199742016546995,1.116819952921438,0.99,0.99,0.99,0.99,0.99,0.99,0.99,0.99,0.99,0.99,0.99,3.81,4.144550711918129,4.374537846692886,4.543470712238683,4.671012374349246,4.770967894504879,4.853144145168386,4.920903099919356,4.977327783272549,5.025128991726503,5.066590023539281,second
+276,8.38,94,2.829946316911641e+17,1.68,0.5187937934151675,152.1,Unknown,Base,1,0.4582232475831049,0.3090973412342015,9.32,1.447981380871149,1.447723737275126,1.448330384089035,1.4492695515758092,1.4482483176472702,1.4469604543114463,1.4464410281108726,1.4465450752317783,1.4471372849711077,1.4478279978794397,1.02,1.02,1.02,1.02,1.02,1.02,1.02,1.02,1.02,1.02,1.02,1.87,4.494006206376286,4.49409208757496,4.493889871970324,4.493576816141399,4.493917227450912,4.49434651522952,4.494519657296378,4.4944849749227425,4.494287571676299,4.494057334040187,third
+275,2.55,97,3.0969430678223226e+17,1.24,0.2151113796169455,121.8,Linear,Base,0,0.11632837671646457,0.09993111437332225,1.07,0.9749157937061619,0.8882813435839293,0.8093324023763412,0.7373680556413067,0.6718037283154947,0.6120920785097208,0.55771800239879,0.5081986342214959,0.4630833462806212,0.4219537489429376,0.01,0.01,0.01,0.01,0.01,0.01,0.01,0.01,0.01,0.01,0.01,3.9,3.995084206293838,4.08171865641607,4.160667597623658,4.232631944358693,4.298196271684505,4.357907921490279,4.41228199760121,4.461801365778504,4.5069166537193786,4.5480462510570625,first
+280,4.43,96,3.264896262431827e+17,2.92,1.0715836162801904,110.1,Ring,None,0,0.4019787858866413,0.31918484696195537,5.04,3.9354703629682413,3.678666208248612,3.6037910583146466,3.5806600153367745,3.5733802603860703,3.5710739768799202,3.5703414345453446,3.5701086419240835,3.570034629138226,3.570011032846575,1.47,0.36547036296824087,0.10866620824861117,0.03379105831464634,0.010660015336774003,0.0033802603860698887,0.0010739768799196722,0.00034143454534405577,0.00010864192408249545,3.462913822513789e-05,1.103284657392722e-05,4.61,5.714529637031759,5.971333791751389,6.046208941685354,6.069339984663226,6.07661973961393,6.078926023120081,6.079658565454657,6.079891358075918,6.0799653708617765,6.079988967153427,second
+271,11.77,98,3.6672333161417126e+17,2.82,1.0367368849500223,125.2,Branched,Base,0,0.047247290021110104,0.04146136069928746,7.08,6.979687707247042,6.903621159402197,6.84544291910284,6.80102028193449,6.767069746080159,6.740745518563823,6.720316093411874,6.704579163289395,6.692430146869306,6.682958336253878,0.43,0.3296877072470422,0.25362115940219715,0.19544291910284103,0.1510202819344909,0.11706974608015969,0.0907455185638246,0.07031609341187466,0.054579163289396146,0.04243014686930639,0.03295833625387895,1.26,1.3603122927529578,1.436378840597803,1.494557080897159,1.5389797180655092,1.5729302539198404,1.5992544814361755,1.6196839065881254,1.635420836710604,1.6475698531306937,1.6570416637461212,second
+273,13.01,93,1.7116162046427382e+17,4.19,1.4327007339340465,28.4,Ring,Base,0,0.27450211173542677,0.20012591915272626,2.87,0.8354998969004168,0.6035291292587861,0.49663491434735063,0.43135998459396074,0.387005132501196,0.35364219758693416,0.3276820879615933,0.30693728035612167,0.2896262328679074,0.27483601049294654,3.55,3.55,3.55,3.55,3.55,3.55,3.55,3.55,3.55,3.55,3.55,4.23,4.908166701033195,4.985490290247072,5.02112169521755,5.042880005135347,5.0576649558329345,5.068785934137688,5.077439304012802,5.084354239881293,5.090124589044031,5.095054663169018,third
+278,5.47,90,3.812505883467223e+17,3.49,1.2499017362143359,195.1,Linear,Base,1,4.678480228311705,3.8373769003669347,2.67,2.761649964560757,2.762348436491226,2.762834772359305,2.7634513019038547,2.7632589269305328,2.7626024735264987,2.7621069439912103,2.7624716722574814,2.7626296287842607,2.7624626657937954,0.24,0.2858249822803786,0.2861742182456135,0.2864173861796534,0.2867256509519285,0.28662946346526735,0.28630123676325026,0.28605347199560616,0.28623583612874165,0.2863148143921321,0.2862313328968994,2.71,2.664175017719621,2.6638257817543862,2.663582613820347,2.6632743490480717,2.663370536534733,2.663698763236751,2.663946528004395,2.6637641638712592,2.6636851856078687,2.663768667103102,third
+277,2.64,91,3.2422097727497984e+17,1.23,0.20701416938432612,31.4,Unknown,Enzyme,0,2.2392621787571643,1.2254719385734663,1.88,1.6415022024839612,1.640012611702298,1.6400000978935803,1.6399971420828499,1.6400015453579828,1.639999016414972,1.6400010299058096,1.640001251717456,1.6399997932295318,1.6400007781399597,0.12,0.0007511012419805804,6.305851148986224e-06,4.894679011887655e-08,-1.4289585751033844e-06,7.726789914351392e-07,-4.91792514101669e-07,5.149529047676141e-07,6.258587280078579e-07,-1.03385234099517e-07,3.890699799068e-07,2.23,2.3492488987580193,2.349993694148851,2.34999995105321,2.3500014289585756,2.3499992273210086,2.3500004917925144,2.3499994850470953,2.349999374141272,2.3500001033852342,2.3499996109300203,third
+276,10.26,93,9.751900723410357e+16,4.09,1.4085449700547104,155.6,Branched,Base,0,0.24414676302423066,0.14910471103253575,7.64,7.444682589580615,7.24936517916123,7.054047768741845,6.858730358322461,6.663412947903076,6.468095537483691,6.272778127064307,6.077460716644922,5.882143306225538,5.6868258958061535,3.12,3.12,3.12,3.12,3.12,3.12,3.12,3.12,3.12,3.12,3.12,4.43,4.625317410419385,4.8206348208387695,5.015952231258154,5.211269641677538,5.406587052096923,5.601904462516308,5.797221872935692,5.992539283355077,6.187856693774461,6.383174104193845,zero
+276,4.32,98,3.602682683292307e+17,3.36,1.2119409739751128,25.3,Linear,None,0,0.10206429126056586,0.08231780113367886,3.73,3.006945280970345,2.541823845987299,2.217948932347624,1.9807794837521304,1.797676951697371,1.6539412517791308,1.5383205003542841,1.442472303165132,1.3622114579549207,1.2942028903513805,3.03,2.306945280970345,1.8418238459872984,1.5179489323476234,1.2807794837521302,1.0976769516973708,0.9539412517791306,0.838320500354284,0.7424723031651318,0.6622114579549205,0.5942028903513803,1.83,2.553054719029655,3.0181761540127017,3.3420510676523763,3.5792205162478696,3.7623230483026293,3.9060587482208695,4.021679499645716,4.117527696834868,4.197788542045079,4.26579710964862,second
+280,12.15,94,6.221642589595497e+16,4.04,1.3962446919730587,69.4,Ring,None,0,0.18086596639502453,0.09049014272778651,2.15,0.9618545190459086,0.7170632154264792,0.5964528793762602,0.521964364507897,0.46931525889193015,0.43015143087021257,0.3996317735484374,0.3745213366305779,0.3536163483526383,0.33586065285250427,1.85,1.85,1.85,1.85,1.85,1.85,1.85,1.85,1.85,1.85,1.85,1.66,2.056048493651364,2.1376455948578403,2.1778490402079136,2.2026785451640345,2.2202282470360237,2.2332828563765963,2.2434560754838544,2.251826221123141,2.258794550549121,2.2647131157158324,third
+279,1.94,98,4.749752859876912e+17,3.87,1.3532545070416904,100.6,Linear,Enzyme,0,0.2129889245064707,0.1735255929295803,7.46,5.4002327270242985,4.767516086171768,4.512901087060295,4.399797656795327,4.347427748880183,4.322700679709315,4.310896851437005,4.30522910325274,4.302512192578731,4.301209803336338,3.16,1.100232727024299,0.46751608617176865,0.21290108706029595,0.09979765679532662,0.04742774888018425,0.022700679709315365,0.010896851437005448,0.005229103252740946,0.0025121925787318176,0.0012098033363386377,0.68,2.739767272975701,3.3724839138282316,3.6270989129397044,3.740202343204674,3.7925722511198163,3.817299320290685,3.829103148562995,3.8347708967472593,3.8374878074212684,3.8387901966636617,second
+280,8.12,98,2.1837399135812125e+17,1.36,0.3074846997479607,104.1,Unknown,Base,1,0.11387191191394883,0.09427708726199333,2.17,1.301917774881154,1.1704683486824368,1.1424042867866535,1.1361933412392424,1.134668090750952,1.134066426929959,1.134309850866472,1.1337688260070187,1.1338877654225863,1.1348095320430769,3.6,3.165958887440577,3.1002341743412183,3.086202143393327,3.0830966706196214,3.082334045375476,3.0820332134649795,3.0821549254332363,3.0818844130035097,3.0819438827112933,3.0824047660215386,4.27,4.704041112559422,4.769765825658782,4.7837978566066734,4.786903329380379,4.787665954624524,4.78796678653502,4.787845074566764,4.788115586996491,4.788056117288707,4.787595233978462,third
+273,3.11,98,2.877712795423989e+17,3.96,1.3762440252663892,156.4,Branched,None,0,0.05098868449207921,0.03588094981609128,1.3,1.0062225732758028,0.829003717403225,0.706451398349255,0.6178617634484513,0.5493616583841524,0.4951579941026597,0.45149553547340743,0.4152203959781533,0.3842520983086047,0.35772756344121553,2.83,2.683111286637901,2.5945018587016127,2.5332256991746274,2.4889308817242255,2.454680829192076,2.42757899705133,2.405747767736704,2.3876101979890767,2.3721260491543026,2.3588637817206077,2.22,2.366888713362099,2.4554981412983876,2.516774300825373,2.5610691182757748,2.595319170807924,2.6224210029486703,2.6442522322632964,2.6623898020109236,2.6778739508456977,2.6911362182793925,third
+271,13.32,100,4.3487314585917856e+17,3.04,1.1118575154181303,153.5,Linear,None,0,0.023061711297306227,0.013311623914976046,3.89,3.818889938900083,3.7490797858399563,3.680545778353136,3.6132645783429442,3.547213281781201,3.4823694281859066,3.418710950544985,3.3562161736021436,3.294863813856873,3.234632979564445,1.96,1.96,1.96,1.96,1.96,1.96,1.96,1.96,1.96,1.96,1.96,2.5,2.5,2.5,2.5,2.5,2.5,2.5,2.5,2.5,2.5,2.5,first
+271,2.99,98,1.328427512085965e+17,1.89,0.636576829071551,167.0,Branched,Enzyme,1,0.017114973203172634,0.014166796815913358,8.13,8.053867787541822,7.979617174731414,7.907201657443773,7.836575820653704,7.767695464946001,7.700517530712494,7.634999956771665,7.571101680339947,7.5087826370317305,7.448003760859359,3.19,3.19,3.19,3.19,3.19,3.19,3.19,3.19,3.19,3.19,3.19,3.02,3.096132212458179,3.1703828252685864,3.2427983425562275,3.3134241793462964,3.3823045350539998,3.4494824692875063,3.5150000432283357,3.5788983196600532,3.6412173629682703,3.7019962391406414,first
+272,3.87,99,2.9618408716359123e+17,3.04,1.1118575154181303,57.1,Linear,Acid,1,0.028774144402295823,0.01681828375765317,7.47,4.306249573800902,3.441750617651657,3.0124000833113054,2.751704207934374,2.579783058970614,2.457276723987283,2.368583114400909,2.3020144526131516,2.2506334596100066,2.210832192035509,3.21,1.6281247869004516,1.1958753088258287,0.9812000416556531,0.8508521039671871,0.7648915294853075,0.7036383619936416,0.6592915572004546,0.626007226306576,0.6003167298050036,0.5804160960177549,0.92,2.501875213099549,2.934124691174172,3.148799958344348,3.2791478960328138,3.365108470514693,3.4263616380063593,3.470708442799546,3.5039927736934247,3.529683270194997,3.5495839039822457,third
+276,13.79,99,2.2902604039537222e+17,2.51,0.9202827531436925,43.6,Linear,Enzyme,0,0.0419633256538689,0.03442189053462101,2.72,1.724519999252691,1.3642368238980187,1.1636529772679511,1.0322473359806277,0.9366286306197918,0.8634612485528912,0.805714233793561,0.757931797620963,0.7175545397466516,0.6830122396234555,2.12,2.12,2.12,2.12,2.12,2.12,2.12,2.12,2.12,2.12,2.12,0.09,0.4218266669157697,0.5419210587006604,0.6087823409106831,0.6525842213397909,0.6844571231267361,0.7088462504823697,0.7280952554021465,0.7440227341263458,0.7574818200844496,0.768995920125515,third
+277,13.9,97,2.162704769690476e+17,3.97,1.3787660946990992,103.0,Unknown,Acid,0,0.11035295387072032,0.09183045078326799,4.44,4.064829957096623,3.7213616735244823,3.406879708934426,3.1188733567578897,2.855216052303828,2.6139173419981208,2.3931032607936187,2.1910163321701384,2.0060155681344645,1.8365764692203517,3.23,3.23,3.23,3.23,3.23,3.23,3.23,3.23,3.23,3.23,3.23,3.09,3.09,3.09,3.09,3.09,3.09,3.09,3.09,3.09,3.09,3.09,first
+275,4.49,98,3.8687114357629536e+17,4.86,1.5810384379124025,50.5,Unknown,Enzyme,0,0.09383563077648392,0.05202235437122079,9.37,9.294931495378812,9.219862990757624,9.144794486136437,9.06972598151525,8.994657476894062,8.919588972272875,8.844520467651687,8.7694519630305,8.694383458409312,8.619314953788125,3.01,3.01,3.01,3.01,3.01,3.01,3.01,3.01,3.01,3.01,3.01,1.21,1.2850685046211872,1.3601370092423744,1.4352055138635615,1.5102740184847485,1.5853425231059357,1.6604110277271231,1.73547953234831,1.8105480369694975,1.885616541590685,1.9606850462118723,zero
+276,1.98,93,3.080579639344846e+17,1.34,0.29266961396282004,40.4,Ring,Base,1,0.7712481581963572,0.4697280125505807,3.58,0.8071111868638732,0.8031488485810576,0.8024787656400507,0.8044956453806122,0.8030054356692407,0.8026419468435426,0.8041117095596738,0.8027997304057248,0.8029287453715398,0.8032708782278627,3.72,2.3335555934319365,2.3315744242905287,2.3312393828200255,2.3322478226903063,2.3315027178346206,2.3313209734217715,2.3320558547798367,2.3313998652028625,2.33146437268577,2.331635439113931,1.08,2.4664444065680637,2.4684255757094715,2.4687606171799747,2.467752177309694,2.4684972821653797,2.468679026578229,2.4679441452201636,2.468600134797138,2.4685356273142305,2.4683645608860694,third
+279,1.93,96,2.1846169086632186e+17,3.55,1.2669476034873244,177.5,Branched,None,0,0.23201533261751642,0.15934812608886742,8.63,7.1680377800349016,5.953304525264158,4.943257710789175,4.105553788293184,3.4113901819656456,2.834819634638455,2.354417280605024,1.9554155876320682,1.6243587730577274,1.349393697173244,4.81,4.81,4.81,4.81,4.81,4.81,4.81,4.81,4.81,4.81,4.81,1.75,3.2119622199650992,4.426695474735843,5.436742289210826,6.274446211706817,6.968609818034356,7.545180365361546,8.025582719394976,8.424584412367931,8.755641226942274,9.030606302826756,first
+277,7.48,96,2.5219339173838205e+17,4.67,1.541159071680806,121.7,Linear,None,1,0.1986552035418478,0.1760551952707115,3.08,2.741350775887044,2.594768578190995,2.5260910339796125,2.4930453067126748,2.4778079899799756,2.469961040119286,2.4667030297542754,2.46465735758686,2.4638393764114586,2.4636449419039685,1.85,1.5113507758870444,1.3647685781909948,1.2960910339796126,1.2630453067126746,1.2478079899799759,1.2399610401192862,1.2367030297542756,1.2346573575868598,1.2338393764114586,1.2336449419039683,2.81,3.148649224112956,3.2952314218090053,3.3639089660203876,3.3969546932873254,3.4121920100200245,3.420038959880714,3.4232969702457248,3.42534264241314,3.4261606235885416,3.4263550580960316,second
+278,10.56,91,1.2159982862896866e+17,2.06,0.7227059828014898,93.7,Ring,Acid,0,0.9681130269989862,0.676424525231672,7.97,3.6699404294669566,1.6945074319668585,0.7822282259300001,0.36108830713328,0.16646693286076084,0.07673176200189713,0.03540142697719187,0.01634425062410061,0.007544125759008797,0.003477998316602134,0.84,0.84,0.84,0.84,0.84,0.84,0.84,0.84,0.84,0.84,0.84,2.6,2.6,2.6,2.6,2.6,2.6,2.6,2.6,2.6,2.6,2.6,first
+279,8.5,93,2.0886961126794035e+17,2.97,1.0885619528146082,96.9,Unknown,Base,1,0.8085366953921312,0.7216101311303948,9.45,1.8897646765952618,1.8850700644129224,1.8877963741329324,1.8865052101739166,1.8859579005727234,1.8883240664173853,1.8849760057583052,1.8865506762187065,1.888227490210033,1.8869055590973078,4.65,4.65,4.65,4.65,4.65,4.65,4.65,4.65,4.65,4.65,4.65,5.0,7.5200784411349115,7.521643311862357,7.520734541955688,7.521164929942026,7.521347366475758,7.520558644527537,7.521674664747231,7.521149774593763,7.520590836596655,7.521031480300898,third
+276,3.34,100,3.3434310050962886e+17,0.87,-0.13926206733350766,43.2,Linear,Base,0,0.0396200138281745,0.02683541499686605,3.01,2.916091134021454,2.825112130914724,2.7369715584491026,2.6515805997452566,2.5688537340984388,2.488708074954678,2.4110631181018456,2.335840741669657,2.262965206129672,2.1923631542952924,3.58,3.58,3.58,3.58,3.58,3.58,3.58,3.58,3.58,3.58,3.58,3.22,3.313908865978546,3.404887869085276,3.4930284415508974,3.5784194002547434,3.6611462659015612,3.741291925045322,3.8189368818981544,3.894159258330343,3.967034793870328,4.037636845704707,first
+280,5.82,100,1.4856075713336563e+17,1.5,0.4054651081081644,98.1,Linear,Acid,1,0.03280966209703983,0.026604482196883248,8.57,7.748765614975771,7.155890223234948,6.713209070457516,6.377892155630961,6.117483057289159,5.910260507629939,5.745640476510988,5.614161342768429,5.507664611446504,5.4204391980426845,4.6,3.7787656149757707,3.1858902232349475,2.7432090704575156,2.40789215563096,2.147483057289159,1.940260507629939,1.7756404765109872,1.6441613427684283,1.537664611446504,1.450439198042684,2.85,3.6712343850242295,4.264109776765053,4.706790929542485,5.04210784436904,5.302516942710841,5.509739492370061,5.674359523489012,5.805838657231571,5.912335388553496,5.9995608019573154,second
+278,4.58,100,4.950426463992091e+16,2.93,1.075002423028976,64.1,Ring,None,1,0.008026480269191338,0.005275045155562193,2.0,1.9916752412033152,1.9834385983395073,1.975289138734999,1.9672259395353262,1.959248087545348,1.9513546795821233,1.9435448219420444,1.9358176302154395,1.928172229286573,1.9206077533336456,0.23,0.23,0.23,0.23,0.23,0.23,0.23,0.23,0.23,0.23,0.23,1.06,1.0683247587966849,1.0765614016604927,1.0847108612650012,1.0927740604646738,1.100751912454652,1.1086453204178768,1.1164551780579557,1.1241823697845605,1.131827770713427,1.1393922466663544,first
+275,3.73,94,3.7842848430792666e+17,2.82,1.0367368849500223,119.7,Branched,None,0,0.5279457299504543,0.3534282293528598,5.8,0.6257484272414899,0.4440487843649518,0.36272432412163796,0.31425925888928347,0.2811714132167965,0.25683650175874934,0.2376643019449865,0.222339703560907,0.20975687234223864,0.19902550148413592,0.84,0.84,0.84,0.84,0.84,0.84,0.84,0.84,0.84,0.84,0.84,0.94,2.6647505242528364,2.725317071878349,2.752425225292787,2.768580247036905,2.7796095289277343,2.787721166080417,2.794111899351671,2.7992200988130307,2.8034143758859202,2.806991499505288,third
+273,3.78,95,2.493942781940783e+17,4.65,1.536867219599265,51.3,Unknown,Base,0,0.16570690632470172,0.1383503524237311,6.76,1.8555229189100886,1.3344679502150996,1.0942720681787972,0.9496206631456368,0.8493236374597117,0.7756843784342331,0.7177466404905956,0.6709036811249296,0.6322139808867453,0.5993995892078163,3.4,0.9477614594550443,0.6872339751075498,0.5671360340893986,0.4948103315728184,0.4446618187298559,0.40784218921711657,0.3788733202452978,0.3554518405624648,0.33610699044337267,0.3196997946039082,2.29,4.742238540544955,5.002766024892449,5.122863965910601,5.195189668427181,5.245338181270144,5.282157810782883,5.311126679754702,5.334548159437535,5.353893009556627,5.3703002053960915,third
+274,12.95,92,1.7547050951675702e+17,1.65,0.5007752879124892,172.3,Unknown,Base,1,0.5069118480492171,0.2812958497647872,9.05,2.1868398538537144,2.115349357746975,2.1130332328029215,2.111416370312122,2.1124168979750446,2.1134220475206598,2.114147701653058,2.11500919132816,2.1163029590885687,2.1156432810883476,4.99,4.99,4.99,4.99,4.99,4.99,4.99,4.99,4.99,4.99,4.99,4.58,8.011580073073143,8.047325321126513,8.04848338359854,8.049291814843938,8.048791551012478,8.04828897623967,8.047926149173472,8.04749540433592,8.046848520455717,8.047178359455827,second
+279,11.45,95,9.595994156474566e+16,1.92,0.6523251860396901,90.9,Ring,None,0,0.15684080543211462,0.12866571550642916,4.38,4.254527355654308,4.129054711308616,4.003582066962924,3.8781094226172326,3.752636778271541,3.6271641339258487,3.501691489580157,3.3762188452344652,3.2507462008887735,3.125273556543082,4.6,4.6,4.6,4.6,4.6,4.6,4.6,4.6,4.6,4.6,4.6,2.41,2.535472644345692,2.6609452886913836,2.786417933037075,2.9118905773827666,3.0373632217284583,3.1628358660741505,3.288308510419842,3.413781154765534,3.5392537991112256,3.6647264434569173,zero
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+270,13.92,90,1.028649574652636e+17,1.24,0.2151113796169455,179.2,Linear,Acid,0,0.3981914471699993,0.23941856471780465,3.16,1.0510613355141813,0.6304573700419605,0.4501293755437976,0.3503475017099216,0.286457118209743,0.24257899855196108,0.2100258335304942,0.18539092027111012,0.16598224534062023,0.15010854697671955,1.68,1.68,1.68,1.68,1.68,1.68,1.68,1.68,1.68,1.68,1.68,1.38,2.434469332242909,2.6447713149790197,2.734935312228101,2.7848262491450386,2.816771440895128,2.838710500724019,2.8549870832347524,2.867304539864444,2.8770088773296894,2.88494572651164,second
+278,7.52,95,2.302807350371298e+17,2.67,0.9820784724121582,53.2,Ring,Enzyme,0,0.3248224287688047,0.2173354725420804,4.82,4.560142056984956,4.300284113969912,4.040426170954869,3.7805682279398254,3.5207102849247813,3.2608523419097373,3.0009943988946937,2.741136455879649,2.4812785128646055,2.2214205698495606,3.07,3.07,3.07,3.07,3.07,3.07,3.07,3.07,3.07,3.07,3.07,4.83,5.089857943015044,5.349715886030088,5.609573829045131,5.869431772060175,6.129289715075219,6.389147658090263,6.649005601105307,6.908863544120351,7.168721487135395,7.42857943015044,zero
+276,7.41,95,7.171213266903976e+16,3.11,1.1346227261911428,33.2,Branched,Acid,0,0.07509807117336272,0.03769354923772904,5.05,4.7555376832219745,4.478245425549712,4.217119354728895,3.9712053615460188,3.739630962581383,3.521570136277898,3.316236729080707,3.1228844554371893,2.9408068977969606,2.769337506611868,4.95,4.95,4.95,4.95,4.95,4.95,4.95,4.95,4.95,4.95,4.95,5.0,5.0,5.0,5.0,5.0,5.0,5.0,5.0,5.0,5.0,5.0,first
+277,12.89,93,1.8719045630544928e+17,0.69,-0.37106368139083207,123.9,Ring,Base,1,0.5424859574824586,0.4410518148466155,2.26,2.3770879916997023,2.3809313358972406,2.3811710536594437,2.38127762005239,2.381152557018383,2.3812121559530635,2.381298242015277,2.3813512094464793,2.3813248146238166,2.3809870235395407,0.1,0.15854399584985143,0.1604656679486204,0.16058552682972219,0.16063881002619534,0.16057627850919184,0.16060607797653198,0.16064912100763878,0.1606756047232401,0.16066240731190878,0.16049351176977086,1.18,1.1214560041501487,1.1195343320513795,1.119414473170278,1.1193611899738047,1.1194237214908083,1.119393922023468,1.1193508789923614,1.1193243952767602,1.1193375926880915,1.1195064882302295,third
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+275,1.94,97,2.4839904568006752e+17,3.58,1.275362800412609,38.1,Ring,None,1,0.093304452581364,0.050486285477934795,5.43,4.832518258440558,4.487251410498608,4.27405206349639,4.139515302191931,4.0515455473479465,3.9946001372364632,3.956296806739777,3.9307943409217034,3.9141610663025177,3.9027372037815105,2.42,1.8225182584405581,1.477251410498608,1.26405206349639,1.1295153021919315,1.0415455473479465,0.9846001372364637,0.9462968067397771,0.9207943409217038,0.904161066302518,0.8927372037815103,4.68,5.277481741559441,5.622748589501391,5.83594793650361,5.970484697808068,6.058454452652053,6.115399862763536,6.153703193260222,6.1792056590782956,6.195838933697481,6.2072627962184885,second
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+274,9.03,96,4.858580442838633e+17,1.3,0.26236426446749106,94.4,Ring,Acid,1,0.24247148507502728,0.16274420950492333,9.74,2.80816693891262,2.4003371811883976,2.3463977865719854,2.338647546194694,2.337557463806921,2.338212151330709,2.3355810425386387,2.3399355998866778,2.335932877720695,2.340075186249906,1.01,1.01,1.01,1.01,1.01,1.01,1.01,1.01,1.01,1.01,1.01,4.44,7.90591653054369,8.109831409405801,8.136801106714008,8.140676226902654,8.14122126809654,8.140893924334646,8.142209478730681,8.140032200056663,8.142033561139653,8.139962406875048,second
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+280,5.35,97,2.1187997531789395e+17,3.52,1.2584609896100056,57.6,Ring,Enzyme,0,0.16977144206096748,0.113285802283582,6.75,5.892763776872689,5.144358062211975,4.490037734005103,3.9185995890003236,3.4204563753202173,2.9865933547070176,2.608568302522614,2.2785115077485476,1.9893807386910076,1.7367340900380484,2.7,2.7,2.7,2.7,2.7,2.7,2.7,2.7,2.7,2.7,2.7,2.85,3.7072362231273113,4.455641937788027,5.1099622659948984,5.681400410999678,6.179543624679784,6.613406645292984,6.991431697477387,7.321488492251454,7.610619261308993,7.863265909961953,first
+278,5.76,96,2.1472340023578474e+17,3.87,1.3532545070416904,175.1,Linear,Enzyme,1,0.19650183186750908,0.14583180093809878,8.76,2.9322548060763505,2.370110112263937,2.2621666041245474,2.238677217655959,2.2334076585156586,2.232927371939423,2.231870893076811,2.232825262470613,2.232057002645491,2.232527111589978,2.03,2.03,2.03,2.03,2.03,2.03,2.03,2.03,2.03,2.03,2.03,3.45,6.363872596961825,6.6449449438680315,6.698916697937726,6.71066139117202,6.713296170742171,6.713536314030289,6.714064553461595,6.713587368764694,6.713971498677255,6.713736444205012,second
+278,11.21,91,1.2982622820509186e+17,2.01,0.6981347220709843,118.5,Unknown,Acid,1,1.0336072360347917,0.741666925281816,5.5,1.6479427675554499,1.6487113295962956,1.6500796743035993,1.649179082027944,1.6472274503825366,1.6474204938980717,1.6499111817609171,1.6501302230702783,1.6479558603226612,1.6488527301489804,4.72,4.72,4.72,4.72,4.72,4.72,4.72,4.72,4.72,4.72,4.72,4.96,6.244019077481516,6.243762890134568,6.243306775232134,6.243606972657352,6.244257516539153,6.24419316870064,6.243362939413025,6.243289925643238,6.244014713225778,6.2437157566170045,third
+270,4.03,91,1.8802650786822224e+17,1.18,0.16551443847757333,105.8,Linear,Enzyme,1,0.46620286692268204,0.33096348351207866,1.84,1.6335652924538413,1.6200023998484185,1.618956364769731,1.6191322566734787,1.617555259575873,1.6183616361050794,1.619751936168211,1.6201142344534039,1.618726238944684,1.6190194225140133,4.54,4.54,4.54,4.54,4.54,4.54,4.54,4.54,4.54,4.54,4.54,3.58,3.6832173537730792,3.6899988000757906,3.6905218176151346,3.6904338716632608,3.691222370212064,3.6908191819474605,3.6901240319158943,3.689942882773298,3.690636880527658,3.6904902887429936,second
+280,5.97,90,3.531888136449431e+17,1.06,0.058268908123975824,94.1,Linear,Base,0,5.723936776814079,4.15529926185672,2.5,0.025720407810474317,0.0002657388798140338,2.641793498202143e-06,-1.2453457858935552e-07,-1.6725737415284495e-06,5.514907803829925e-07,-3.4726979925902085e-07,-4.4274821454081825e-07,1.6027352742502385e-06,8.785601240245433e-07,1.12,1.12,1.12,1.12,1.12,1.12,1.12,1.12,1.12,1.12,1.12,0.87,3.3442795921895256,3.369734261120186,3.369997358206502,3.3700001245345788,3.370001672573742,3.36999944850922,3.3700003472697992,3.3700004427482146,3.3699983972647254,3.3699991214398755,first
+277,6.08,97,1.489427195291786e+17,3.3,1.1939224684724346,36.6,Ring,None,0,0.07599867206995349,0.05937741663427578,7.64,7.579201062344037,7.518402124688074,7.457603187032111,7.3968042493761486,7.336005311720186,7.275206374064223,7.21440743640826,7.153608498752297,7.092809561096335,7.032010623440372,3.05,3.05,3.05,3.05,3.05,3.05,3.05,3.05,3.05,3.05,3.05,3.5,3.560798937655963,3.6215978753119256,3.6823968129678883,3.743195750623851,3.803994688279814,3.8647936259357767,3.9255925635917395,3.9863915012477023,4.047190438903665,4.107989376559628,zero
+271,12.34,93,8.035697510410109e+16,4.66,1.5390154481375546,171.8,Ring,Base,0,0.09524353262758668,0.058636954198431464,4.23,2.03548072078642,1.498045201497749,1.2275052292421165,1.056964137429885,0.9380971201260032,0.8480653943487971,0.7780292044284807,0.7213073890069959,0.6736703341047081,0.633268481068445,2.41,1.31274036039321,1.0440226007488744,0.9087526146210582,0.8234820687149425,0.7640485600630015,0.7190326971743984,0.6840146022142403,0.6556536945034978,0.631835167052354,0.6116342405342224,3.07,4.167259639606789,4.435977399251125,4.571247385378942,4.656517931285057,4.715951439936998,4.760967302825601,4.795985397785759,4.824346305496502,4.848164832947646,4.868365759465777,third
+275,6.28,98,1.4255488503994277e+17,4.15,1.423108334242607,181.9,Unknown,Base,1,0.03457670022720146,0.022766776545344144,5.6,5.037601330872244,4.605249258861896,4.264140804415813,3.991914573494008,3.771088499081619,3.5875621959066,3.433966748947633,3.3051006155390463,3.196198687492213,3.1033142495163046,4.34,3.7776013308722445,3.3452492588618963,3.004140804415814,2.7319145734940085,2.5110884990816196,2.3275621959066,2.1739667489476333,2.0451006155390465,1.936198687492213,1.8433142495163048,1.47,2.0323986691277556,2.4647507411381038,2.805859195584186,3.0780854265059916,3.2989115009183805,3.4824378040933994,3.6360332510523663,3.764899384460953,3.8738013125077866,3.9666857504836948,second
+279,13.19,100,4.9220163111417805e+17,3.44,1.235471471385307,80.8,Linear,Acid,0,0.09319093490140287,0.05545258001746675,1.52,1.4108008724481857,1.309446895076677,1.2153705758091178,1.128039352871017,1.0469834262137507,0.9717613115270566,0.9019557952955335,0.8371739347986407,0.777047058110698,0.7212307641008856,4.96,4.96,4.96,4.96,4.96,4.96,4.96,4.96,4.96,4.96,4.96,1.22,1.22,1.22,1.22,1.22,1.22,1.22,1.22,1.22,1.22,1.22,first
+278,2.72,94,3.2942068851985254e+17,4.37,1.4747630091074988,170.3,Linear,Enzyme,1,0.7162101106655326,0.3658164475414477,7.08,5.11873600556875,4.294719771829569,3.9475018523967416,3.802497929594702,3.7397395071282826,3.7146201972644315,3.7029506844422304,3.6992949723859434,3.69687619730494,3.696058510959927,0.73,0.73,0.73,0.73,0.73,0.73,0.73,0.73,0.73,0.73,0.73,3.85,5.81126399443125,6.635280228170431,6.982498147603258,7.127502070405297,7.190260492871717,7.215379802735568,7.227049315557769,7.230705027614056,7.23312380269506,7.233941489040072,first
+274,5.73,90,4.7391479535608614e+17,4.99,1.6074359097634274,160.6,Branched,None,0,3.293950643377471,2.4358746891234584,9.41,0.1867599116063426,0.09429557983981057,0.06307772556683056,0.04735427251726134,0.0379596681451704,0.031623303130703086,0.027148259834218154,0.023753244626565178,0.02111256695904816,0.01900175743058033,0.66,0.66,0.66,0.66,0.66,0.66,0.66,0.66,0.66,0.66,0.66,1.22,5.831620044196828,5.877852210080093,5.893461137216582,5.901322863741368,5.906020165927413,5.909188348434647,5.911425870082889,5.913123377686715,5.9144437165204735,5.915499121284708,second
+276,3.87,98,2.490675364831309e+17,1.11,0.10436001532424286,103.9,Linear,Base,1,0.07056103415673297,0.05600394796772033,5.56,5.439192370219739,5.3300185275492,5.231356196361337,5.142150681971702,5.061522605902052,4.9886876713325945,4.9229098846756765,4.863501555575777,4.809823296909509,4.761284024785621,0.81,0.81,0.81,0.81,0.81,0.81,0.81,0.81,0.81,0.81,0.81,4.17,4.290807629780261,4.3999814724508,4.498643803638663,4.587849318028297,4.668477394097947,4.741312328667405,4.807090115324323,4.866498444424223,4.92017670309049,4.968715975214378,first
+277,3.39,92,4.370744292885533e+17,1.66,0.5068176023684519,134.5,Branched,None,0,1.9554184800524266,1.3255184442240087,5.86,0.3265484680392787,0.2310393615420352,0.18868405261705795,0.1635554475759325,0.14618565091629154,0.13349941562145823,0.1236492839576709,0.11562649285123842,0.10899677680890153,0.10338945946477221,0.56,0.56,0.56,0.56,0.56,0.56,0.56,0.56,0.56,0.56,0.56,0.53,2.3744838439869076,2.4063202128193217,2.4204386491276475,2.4288148508080227,2.434604783027903,2.4388335281261813,2.442116905347443,2.4447911690495876,2.447001074397033,2.4488701801784094,third
+271,12.28,96,4.372168775495708e+17,3.57,1.2725655957915476,198.6,Ring,None,0,0.1368499684585994,0.08351825610572997,1.6,0.9752437897618185,0.7208407552127717,0.5783533347553206,0.4863243436250022,0.4206101976591424,0.37187203605487545,0.333475838504784,0.30255981655919234,0.27722796120517634,0.2559641915173799,2.04,1.727621894880909,1.6004203776063857,1.5291766673776601,1.483162171812501,1.450305098829571,1.4259360180274374,1.4067379192523917,1.391279908279596,1.3786139806025879,1.3679820957586897,2.29,2.602378105119091,2.729579622393614,2.8008233326223397,2.8468378281874993,2.879694901170429,2.9040639819725627,2.923262080747608,2.938720091720404,2.951386019397412,2.96201790424131,third
+277,8.49,91,4.854889775099899e+17,3.83,1.3428648031925547,99.3,Linear,Enzyme,1,3.353074544031061,2.1292567209309197,7.56,6.319735994381733,6.3195699025808,6.319664295384826,6.319896430233064,6.319681979913689,6.319648021648174,6.319761156381502,6.3198481403646785,6.31970836552592,6.3197316466916975,1.38,0.13973599438173417,0.13956990258080115,0.1396642953848286,0.13989643023306625,0.13968197991369102,0.13964802164817677,0.13976115638150544,0.13984814036468265,0.13970836552592408,0.13973164669170124,0.15,1.3902640056182658,1.390430097419199,1.3903357046151716,1.3901035697669337,1.390318020086309,1.3903519783518237,1.3902388436184951,1.3901518596353177,1.390291634474076,1.390268353308299,second
+279,11.4,92,3.1586465824876984e+16,4.67,1.541159071680806,110.3,Ring,Base,0,0.18817122246782725,0.16535432993461077,1.09,0.937667072537383,0.8066252955185691,0.6937221940261266,0.5964054167443672,0.5128155630072964,0.4411844727491978,0.37982805648255724,0.32714629529806233,0.2816240798693192,0.2422659673266339,2.45,2.45,2.45,2.45,2.45,2.45,2.45,2.45,2.45,2.45,2.45,1.5,1.5,1.5,1.5,1.5,1.5,1.5,1.5,1.5,1.5,1.5,first
+280,7.6,96,1.2162518152300966e+17,2.84,1.0438040521731147,21.8,Unknown,None,0,0.1497466959806128,0.11278362866807505,1.27,0.9735213091022221,0.790537296211051,0.6644764895778997,0.574044851511205,0.5046729001432653,0.45017079056543113,0.40669358710384745,0.37093103441201003,0.34066166327993075,0.31495526771107324,0.94,0.94,0.94,0.94,0.94,0.94,0.94,0.94,0.94,0.94,0.94,2.53,2.6782393454488886,2.7697313518944746,2.8327617552110502,2.8779775742443974,2.912663549928367,2.939914604717284,2.961653206448076,2.979534482793995,2.9946691683600344,3.0075223661444634,second
+274,13.32,98,2.69458901324985e+17,0.55,-0.5978370007556204,187.1,Branched,Enzyme,1,0.05589272635588145,0.048311729916354976,3.56,3.5830419484046536,3.6042409257753767,3.623744048392146,3.6416873913720846,3.6581975017969595,3.6733870975097367,3.68736008252559,3.700213718260651,3.712038623532011,3.72291877455772,0.45,0.45,0.45,0.45,0.45,0.45,0.45,0.45,0.45,0.45,0.45,4.74,4.716958051595347,4.6957590742246245,4.676255951607855,4.658312608627916,4.641802498203041,4.626612902490264,4.61263991747441,4.599786281739349,4.587961376467989,4.577081225442281,first
+277,7.42,92,7.962281536292776e+16,2.17,0.7747271675523681,140.5,Unknown,None,0,0.35622290887139024,0.31340152672635,9.23,6.4554553571653495,6.126885652313484,6.071813394606077,6.062103372221556,6.060374475179679,6.060066656422154,6.060011768134379,6.060002012755985,6.060000345441384,6.060000239279602,3.17,0.39545535716534874,0.06688565231348234,0.011813394606076062,0.00210337222155508,0.00037447517967827495,6.665642215232966e-05,1.1768134377801976e-05,2.0127559827987845e-06,3.454413826873073e-07,2.3927960065002313e-07,3.21,5.984544642834652,6.3131143476865175,6.368186605393924,6.377896627778445,6.379625524820322,6.379933343577847,6.379988231865623,6.379997987244017,6.379999654558617,6.379999760720399,second
+276,1.22,94,1.468044711195643e+17,2.72,1.000631880307906,69.1,Linear,Enzyme,1,0.23770493847932317,0.12117263529575126,9.68,6.0360152711836665,6.034799863284182,6.034806742998906,6.034834946399089,6.03486693857087,6.0348990233301025,6.034797343017647,6.0347974934530795,6.034737296035874,6.034842783592813,1.86,0.03800763559183328,0.03739993164209132,0.03740337149945253,0.037417473199544006,0.03743346928543434,0.037449511665050644,0.03739867150882339,0.03739874672653955,0.03736864801793709,0.037421391796406384,0.85,2.671992364408167,2.672600068357909,2.6725966285005476,2.672582526800456,2.6725665307145654,2.672550488334949,2.6726013284911767,2.6726012532734607,2.6726313519820635,2.672578608203594,third
+278,3.96,90,2.0463110505144717e+17,1.26,0.23111172096338664,127.2,Ring,Acid,0,2.511111086365361,1.5920122648394637,3.83,0.514607217128259,0.06918683568830453,0.009301092370206304,0.0012504451733422184,0.0001683054565080326,2.244626549320324e-05,3.094810425110729e-06,4.094273563928422e-07,-1.1815518000303675e-07,2.144688095713461e-07,1.36,1.36,1.36,1.36,1.36,1.36,1.36,1.36,1.36,1.36,1.36,4.95,8.265392782871741,8.710813164311695,8.770698907629793,8.778749554826659,8.779831694543493,8.77997755373451,8.779996905189577,8.779999590572645,8.780000118155183,8.779999785531192,first
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+275,5.8,91,4.5243464835467386e+17,3.69,1.3056264580524357,53.9,Linear,None,0,2.3443062053787775,2.10006599705199,7.29,0.29861128026688555,0.21111234324399222,0.17247989742311323,0.1492966473181445,0.13361935509989717,0.12189520930539992,0.11289029700807812,0.1056548189650949,0.09958633544389753,0.09445535011937323,2.05,2.05,2.05,2.05,2.05,2.05,2.05,2.05,2.05,2.05,2.05,3.2,5.5304629065777045,5.559629218918668,5.572506700858962,5.580234450893951,5.5854602149667,5.589368263564865,5.592369900997306,5.594781727011634,5.596804554852033,5.598514883293541,third
+278,1.66,93,4.590808714195576e+17,3.74,1.3190856114264407,67.7,Ring,None,0,1.5384378246204242,0.8225411897569138,2.76,0.17646961612388226,0.026326246010243942,0.004257230849302383,0.0006974528791145627,0.00011469972429168742,1.8771330876306748e-05,3.005351416709023e-06,5.162882632976409e-07,2.9833828555336687e-07,5.633207755289159e-08,4.23,1.646469616123883,1.4963262460102449,1.4742572308493032,1.4706974528791152,1.4701146997242922,1.4700187713308768,1.4700030053514173,1.470000516288264,1.470000298338286,1.470000056332078,0.53,3.113530383876117,3.263673753989756,3.2857427691506973,3.289302547120885,3.2898853002757082,3.2899812286691237,3.2899969946485834,3.289999483711737,3.2899997016617144,3.2899999436679224,second
+273,6.92,99,2.55916070287451e+17,0.83,-0.18632957819149348,188.2,Unknown,None,1,0.029186453726415075,0.025721731493169652,1.69,1.6641523074844158,1.6410672835439666,1.6204273206458029,1.6019476321645738,1.5853875454780337,1.5705496083299757,1.557251160154111,1.545323964644541,1.5346142097557567,1.5249825077026402,2.32,2.2941523074844157,2.2710672835439665,2.250427320645803,2.2319476321645735,2.2153875454780336,2.2005496083299754,2.1872511601541107,2.175323964644541,2.1646142097557566,2.1549825077026403,3.12,3.1458476925155843,3.1689327164560335,3.189572679354197,3.2080523678354265,3.2246124545219663,3.2394503916700246,3.2527488398458893,3.264676035355459,3.2753857902442434,3.2850174922973596,second
+277,1.02,98,1.565199082782244e+17,2.52,0.9242589015233319,89.7,Linear,Acid,0,0.05173408722762086,0.044083711203157905,3.51,3.3676957737657705,3.2311609369540983,3.100161496093827,2.974471849603819,2.8538778371506246,2.73817394374355,2.627162088753674,2.520651625913844,2.418459343318678,2.320409463424564,2.21,2.21,2.21,2.21,2.21,2.21,2.21,2.21,2.21,2.21,2.21,2.5,2.5,2.5,2.5,2.5,2.5,2.5,2.5,2.5,2.5,2.5,first
+273,10.7,99,3.267896305090913e+16,3.26,1.1817271953786161,33.7,Ring,None,0,0.00372693688927497,0.002004045140664767,3.54,3.529461033761568,3.5189534431753806,3.5084771348331723,3.498032015604042,3.487617992634232,3.47723497334637,3.4668828654402226,3.45656157688947,3.4462710159409933,3.436011091114874,2.47,2.47,2.47,2.47,2.47,2.47,2.47,2.47,2.47,2.47,2.47,3.38,3.38,3.38,3.38,3.38,3.38,3.38,3.38,3.38,3.38,3.38,first
+271,12.1,97,2.174457934721641e+16,1.49,0.3987761199573678,170.3,Ring,None,0,0.00436660676527066,0.002417687985214096,5.71,5.706506714587784,5.7030134291755665,5.69952014376335,5.696026858351134,5.692533572938917,5.6890402875267005,5.685547002114484,5.682053716702268,5.678560431290052,5.675067145877835,0.37,0.37,0.37,0.37,0.37,0.37,0.37,0.37,0.37,0.37,0.37,4.49,4.4934932854122165,4.496986570824434,4.50047985623665,4.503973141648866,4.507466427061083,4.5109597124733,4.514452997885516,4.517946283297732,4.5214395687099485,4.524932854122166,zero
+276,11.04,94,1.2187103686113984e+17,1.96,0.6729444732424258,171.2,Ring,Base,1,0.19733286798802338,0.12030147095834537,4.78,4.442889251088196,4.309471946537142,4.25361681222672,4.230124813252741,4.219782824095196,4.215543353578128,4.2135509663814865,4.212890992302678,4.212467038759105,4.212315541858126,1.09,0.752889251088195,0.6194719465371418,0.5636168122267192,0.5401248132527405,0.5297828240951953,0.5255433535781268,0.5235509663814856,0.5228909923026775,0.5224670387591053,0.5223155418581256,3.04,3.377110748911805,3.5105280534628585,3.5663831877732814,3.58987518674726,3.600217175904805,3.604456646421874,3.606449033618515,3.607109007697323,3.6075329612408957,3.6076844581418754,second
+279,5.41,93,1.9298816022349683e+17,1.74,0.5538851132264376,70.9,Ring,None,0,0.7470594136202318,0.6137043739041808,5.21,4.612352469103815,4.014704938207629,3.417057407311443,2.8194098764152575,2.221762345519072,1.6241148146228865,1.026467283726701,0.428819752830516,-0.16882777806566907,-0.766475308961855,1.24,1.24,1.24,1.24,1.24,1.24,1.24,1.24,1.24,1.24,1.24,0.56,1.1576475308961856,1.755295061792371,2.3529425926885565,2.9505901235847425,3.5482376544809275,4.1458851853771135,4.7435327162732985,5.341180247169484,5.938827778065669,6.536475308961855,zero
+273,7.51,100,1.8984945655352218e+17,4.67,1.541159071680806,184.4,Branched,Enzyme,1,0.013936398028380311,0.011417608568155078,5.91,5.272452495119848,4.773709633450643,4.373118215303234,4.04720883265692,3.7806774331296418,3.5594372814654913,3.37060608549481,3.207481250556076,3.0674404329747134,2.9464272082451264,3.78,3.78,3.78,3.78,3.78,3.78,3.78,3.78,3.78,3.78,3.78,2.95,3.2687737524400764,3.5181451832746786,3.7184408923483834,3.8813955836715404,4.01466128343518,4.125281359267254,4.219696957252595,4.301259374721963,4.371279783512644,4.431786395877437,second
+271,8.56,97,4.494285676459927e+17,3.03,1.1085626195212777,44.6,Unknown,Base,1,0.09025135840303652,0.04532394458093202,5.06,2.2559419266747973,1.8144390435478868,1.6595778294971695,1.5946276809642856,1.5660400490118602,1.55321711409696,1.5470950179910856,1.5442287681307978,1.5432729964708616,1.5425144155279544,3.02,1.6179709633373989,1.3972195217739436,1.319788914748585,1.2873138404821431,1.2730200245059302,1.2666085570484802,1.2635475089955428,1.262114384065399,1.2616364982354311,1.2612572077639774,4.21,5.6120290366626016,5.832780478226057,5.910211085251415,5.942686159517857,5.956979975494069,5.96339144295152,5.966452491004457,5.967885615934601,5.9683635017645695,5.968742792236022,third
+273,2.46,98,9.81059209811253e+16,1.1,0.09531017980432493,181.1,Unknown,Acid,0,0.017382873856160608,0.00939981175135989,7.39,7.287943706861166,7.18729681671634,7.0880398658555634,6.990153656273781,6.89361925431249,6.798418001197017,6.704531489127564,6.611941558961224,6.520630300211971,6.4305800510506685,3.67,3.67,3.67,3.67,3.67,3.67,3.67,3.67,3.67,3.67,3.67,4.51,4.51,4.51,4.51,4.51,4.51,4.51,4.51,4.51,4.51,4.51,first
+271,13.39,92,1.0325253529251662e+17,2.94,1.0784095813505903,79.9,Unknown,Acid,0,0.19075123126229418,0.14262904657077924,9.33,8.009536722496554,6.875973884990756,5.901299946955223,5.062947197830969,4.344414118440493,3.730015412838766,3.204824636890819,2.754674198271752,2.366222172622579,2.031336008843041,4.56,4.56,4.56,4.56,4.56,4.56,4.56,4.56,4.56,4.56,4.56,3.45,3.45,3.45,3.45,3.45,3.45,3.45,3.45,3.45,3.45,3.45,first
+276,10.97,100,1.9637999798784086e+17,2.57,0.9439058989071284,34.3,Unknown,None,1,0.0232712391073584,0.015028733478540175,5.88,4.810954400469211,4.318336307206359,4.036771487625172,3.8593364697217902,3.738865825499741,3.654984368868388,3.594798996767072,3.5504585938335578,3.5179096645346486,3.4936594879541785,1.37,0.8354772002346055,0.5891681536031798,0.4483857438125864,0.3596682348608952,0.29943291274987077,0.25749218443419414,0.22739949838353618,0.20522929691677905,0.1889548322673244,0.1768297439770894,1.27,1.8045227997653948,2.0508318463968203,2.191614256187414,2.280331765139105,2.340567087250129,2.382507815565806,2.4126005016164638,2.434770703083221,2.451045167732676,2.4631702560229107,third
+275,11.87,96,9.679888028560963e+16,0.82,-0.19845093872383832,81.2,Linear,Enzyme,1,0.05630847760090622,0.032861282251631825,9.07,5.075008615841174,4.590982600411763,4.447787865414186,4.3983450482847175,4.380357354058669,4.373671388217956,4.371289017166443,4.370323283122296,4.370033997545229,4.369880698190569,2.48,0.4825043079205875,0.24049130020588239,0.16889393270709377,0.1441725241423595,0.13517867702933523,0.1318356941089794,0.1306445085832226,0.13016164156114893,0.1300169987726151,0.12994034909528493,1.9,3.8974956920794126,4.139508699794118,4.211106067292906,4.235827475857641,4.244821322970665,4.24816430589102,4.249355491416777,4.249838358438851,4.249983001227385,4.250059650904715,third
+275,3.76,90,2.2269533853756253e+17,4.96,1.601405740736836,49.1,Ring,None,0,1.7869837886360693,1.5643629676209816,5.65,3.0778619791741213,3.0602246472671712,3.060002948844302,3.0599999065565724,3.0600003304963237,3.0600008152012266,3.05999932745731,3.0599993339010565,3.0600015715383635,3.0600004206511553,2.59,0.01786197917412058,0.00022464726717078532,2.9488443020946344e-06,-9.344342770876267e-08,3.304963234325698e-07,8.152012260993612e-07,-6.725426902762321e-07,-6.660989440076968e-07,1.5715383626982424e-06,4.206511545968781e-07,0.25,2.822138020825879,2.839775352732829,2.8399970511556982,2.840000093443428,2.8399996695036767,2.839999184798774,2.8400006725426903,2.840000666098944,2.839998428461637,2.839999579348845,second
+274,12.57,100,3.157083974107303e+17,3.12,1.1378330018213911,153.1,Branched,Base,0,0.027218261245804808,0.01532798369663291,6.43,6.408225391003356,6.386450782006712,6.364676173010068,6.342901564013424,6.32112695501678,6.299352346020136,6.277577737023492,6.255803128026848,6.234028519030204,6.21225391003356,0.18,0.18,0.18,0.18,0.18,0.18,0.18,0.18,0.18,0.18,0.18,4.24,4.261774608996644,4.283549217993288,4.305323826989932,4.327098435986576,4.34887304498322,4.370647653979864,4.392422262976508,4.414196871973152,4.435971480969796,4.45774608996644,zero
+271,5.91,98,3.25089236943217e+17,2.82,1.0367368849500223,40.7,Unknown,None,0,0.04188330585073692,0.021753554583626548,4.93,2.036185976026177,1.5053434015326888,1.2483629884274805,1.0895494821828906,0.9794896272510886,0.8974275327050786,0.8323172639674438,0.7799636949872596,0.7367790956099385,0.69984812577529,3.43,3.43,3.43,3.43,3.43,3.43,3.43,3.43,3.43,3.43,3.43,1.57,2.534604674657941,2.7115521994891036,2.7972123371908397,2.8501501726057032,2.8868367909163037,2.91419082243164,2.935894245344185,2.9533454350042465,2.9677403014633534,2.98005062474157,third
+280,7.87,92,1.8653126420951494e+17,3.3,1.1939224684724346,147.8,Ring,Enzyme,1,1.2803286827062685,0.8917368208469418,8.98,5.21690016260309,4.55513358639081,4.438023757385051,4.417680877876972,4.4147966088943775,4.413307482003724,4.412858703380931,4.411973231506173,4.416320871004426,4.413964714065756,4.76,4.76,4.76,4.76,4.76,4.76,4.76,4.76,4.76,4.76,4.76,1.77,5.533099837396911,6.194866413609191,6.31197624261495,6.332319122123029,6.335203391105623,6.336692517996277,6.33714129661907,6.338026768493828,6.333679128995575,6.336035285934245,first
+273,7.12,100,3.638446334100184e+17,4.44,1.4906543764441336,113.0,Ring,Acid,0,0.026708971011790154,0.014201888902232356,8.02,7.8131004932165835,7.642216321443088,7.499709980981233,7.380364171593476,7.280429606122072,7.196462570407593,7.125322362227825,7.06426880147366,7.012016425026117,6.96734713454153,1.33,1.1231004932165836,0.9522163214430879,0.809709980981233,0.6903641715934761,0.5904296061220722,0.5064625704075931,0.43532236222782583,0.37426880147366054,0.32201642502611794,0.27734713454153104,4.11,4.316899506783416,4.487783678556912,4.6302900190187675,4.749635828406524,4.8495703938779275,4.933537429592407,5.004677637772174,5.065731198526339,5.117983574973882,5.162652865458469,second
+278,13.35,99,4.782491813464014e+17,1.59,0.4637340162321402,62.8,Unknown,Base,1,0.11951927189051216,0.06728117026326413,7.12,3.2863573856376433,2.396427130913392,2.069367905440267,1.9292302099422312,1.8661975555120298,1.8372907096421898,1.823145964792367,1.8167430759862109,1.8139076132349463,1.8122555107897889,4.53,4.53,4.53,4.53,4.53,4.53,4.53,4.53,4.53,4.53,4.53,3.17,5.086821307181179,5.531786434543305,5.695316047279867,5.765384895028885,5.796901222243985,5.811354645178905,5.818427017603816,5.8216284620068945,5.823046193382527,5.823872244605106,second
+277,4.86,100,9.379765052714008e+16,2.11,0.7466879474879751,148.7,Linear,Acid,1,0.013008886657678236,0.008652868420707881,1.25,1.2660092348627996,1.2810919356053236,1.295292761551349,1.3086554957145242,1.3212228882621784,1.333035745877564,1.3441335954223144,1.354554770588257,1.3643364118974126,1.3735144667019956,4.4,4.4,4.4,4.4,4.4,4.4,4.4,4.4,4.4,4.4,4.4,3.54,3.5319953825686,3.524454032197338,3.5173536192243255,3.510672252142738,3.5043885558689105,3.498482127061218,3.492933202288843,3.4877226147058713,3.4828317940512936,3.478242766649002,second
+279,12.42,92,4.118862345610747e+16,0.59,-0.527632742082372,185.9,Ring,Enzyme,0,0.24537451168084115,0.1773693332289289,9.58,9.159999468767104,9.159998948409251,9.159999529951165,9.159999634801544,9.160002123816502,9.160003653410344,9.160003953040329,9.160003361581138,9.16000172993394,9.160001024613683,0.21,-2.656164479864772e-07,-5.257953736764975e-07,-2.3502441790335178e-07,-1.825992268697111e-07,1.061908254091652e-06,1.8267051747691122e-06,1.9765201677997033e-06,1.680790571989237e-06,8.649669727363465e-07,5.123068431181248e-07,1.78,1.9900002656164482,1.990000525795374,1.9900002350244181,1.990000182599227,1.989998938091746,1.989998173294825,1.9899980234798325,1.9899983192094282,1.9899991350330277,1.9899994876931573,third
+272,11.38,95,4.570214232780324e+17,2.1,0.7419373447293773,99.3,Branched,Acid,0,0.26035233058314394,0.14904818494201916,9.2,7.470166345920001,6.065647535313734,4.92252043336047,3.994110332636182,3.2438621276891677,2.6376664828032172,2.14390908310169,1.7406733930672047,1.413433307464135,1.147794687024344,1.78,1.78,1.78,1.78,1.78,1.78,1.78,1.78,1.78,1.78,1.78,4.68,4.68,4.68,4.68,4.68,4.68,4.68,4.68,4.68,4.68,4.68,first
+275,8.14,95,1.140387351317719e+17,3.82,1.3402504226184837,119.9,Unknown,Base,0,0.10273226166744498,0.08618271043196214,6.06,3.0407009032138785,2.028538113265555,1.522801634178648,1.2195077275650608,1.0158693646986183,0.8710776838321466,0.762829502695529,0.6777639278649625,0.6099428693661793,0.5544767428454304,4.16,4.16,4.16,4.16,4.16,4.16,4.16,4.16,4.16,4.16,4.16,1.28,2.7896495483930606,3.2957309433672224,3.5485991829106758,3.7002461362174692,3.8020653176506904,3.874461158083926,3.9285852486522352,3.9711180360675185,4.00502856531691,4.032761628577284,second
+278,9.98,92,2.796684578119675e+17,4.17,1.4279160358107101,60.7,Ring,Base,1,1.4445594312094756,1.221869010020157,4.65,1.4391215271345033,1.4394690161944368,1.4381067517271489,1.4375613394228692,1.439449523152546,1.4396184575773079,1.4375046231995225,1.4384114455879238,1.43972766563351,1.4388167035854247,3.93,3.93,3.93,3.93,3.93,3.93,3.93,3.93,3.93,3.93,3.93,0.84,2.445439236432749,2.4452654919027825,2.4459466241364267,2.4462193302885664,2.445275238423728,2.445190771211347,2.44624768840024,2.4457942772060393,2.445136167183246,2.445591648207289,second
+273,8.53,98,3.8557901608532154e+17,1.64,0.494696241836107,139.0,Branched,Base,0,0.0683187246107517,0.045736770794135365,5.62,5.321082028006576,5.038063086347648,4.770096075222218,4.516372427930308,4.27614394604449,4.048699785375469,3.8333611679884703,3.6294813822032514,3.436445782594097,3.25367178998982,2.88,2.88,2.88,2.88,2.88,2.88,2.88,2.88,2.88,2.88,2.88,3.28,3.28,3.28,3.28,3.28,3.28,3.28,3.28,3.28,3.28,3.28,first
+274,6.84,94,2.455806950900944e+17,0.72,-0.3285040669720361,188.0,Ring,None,1,0.29487232499017596,0.18619914809920518,1.32,1.1542347737079295,1.0414755543419816,0.9644000522215788,0.9124602546465911,0.8770986377542003,0.8526788640086658,0.8363295590296576,0.8252512702127874,0.8175612650193833,0.8123402229433038,4.68,4.68,4.68,4.68,4.68,4.68,4.68,4.68,4.68,4.68,4.68,0.75,0.9157652262920706,1.0285244456580185,1.1055999477784213,1.157539745353409,1.1929013622458,1.2173211359913345,1.2336704409703427,1.2447487297872126,1.252438734980617,1.2576597770566964,first
+271,9.06,99,1.0940774452607331e+17,4.02,1.3912819026309295,169.9,Unknown,Base,0,0.009043399498983484,0.007812321778133635,5.03,5.022765280400813,5.0155305608016265,5.00829584120244,5.001061121603253,4.993826402004066,4.986591682404879,4.979356962805692,4.972122243206506,4.964887523607319,4.9576528040081325,2.91,2.91,2.91,2.91,2.91,2.91,2.91,2.91,2.91,2.91,2.91,4.79,4.797234719599187,4.804469439198374,4.811704158797561,4.8189388783967475,4.826173597995934,4.833408317595121,4.840643037194308,4.847877756793494,4.855112476392681,4.862347195991868,zero
+272,11.92,99,3.441705603105916e+17,3.2,1.1631508098056809,142.2,Linear,None,0,0.033436007640498894,0.027308076550248705,5.57,5.422984161543692,5.279848695918743,5.14049118225704,5.00481175335317,4.872713404428634,4.744101818622888,4.6188850029272785,4.496973287996727,4.378279328149727,4.26271810136835,2.27,2.27,2.27,2.27,2.27,2.27,2.27,2.27,2.27,2.27,2.27,2.43,2.43,2.43,2.43,2.43,2.43,2.43,2.43,2.43,2.43,2.43,first
+275,4.8,93,3.925490017350498e+17,3.35,1.208960345836975,53.1,Unknown,Base,1,0.8481064113476232,0.667270147267376,1.05,0.7854918378473497,0.7826612123252771,0.781698820761317,0.7822859666824392,0.7829078022932582,0.782879172323603,0.7825476094897,0.7824999525142067,0.7832174514403049,0.783230825966336,3.5,3.5,3.5,3.5,3.5,3.5,3.5,3.5,3.5,3.5,3.5,0.52,0.6081693873842168,0.6091129292249077,0.6094337264128944,0.6092380111058536,0.6090307325689139,0.6090402758921323,0.6091507968367667,0.6091666824952645,0.6089275161865652,0.6089230580112214,third
+278,4.87,98,3.7050826891099846e+17,2.49,0.9122827104766164,183.4,Unknown,None,0,0.14271932502473691,0.10265640132724606,7.81,6.967309867656999,6.215549057855265,5.5445418016755825,4.945257314930256,4.410762197005923,3.9345441187502432,3.510446685815517,3.1326694386586773,2.7957678525412906,2.4946533375295608,2.67,2.67,2.67,2.67,2.67,2.67,2.67,2.67,2.67,2.67,2.67,0.07,0.07,0.07,0.07,0.07,0.07,0.07,0.07,0.07,0.07,0.07,first
+278,8.14,92,4.9628852376684504e+16,3.26,1.1817271953786161,29.4,Branched,Enzyme,0,0.2563457721393942,0.16288532660028693,9.25,0.8995313789475905,0.6370933041997613,0.5208100662209029,0.4511529220267305,0.40367673136161464,0.3683773087899596,0.3412898045457292,0.3193171896524134,0.30099369800100306,0.28550194452270106,4.94,4.94,4.94,4.94,4.94,4.94,4.94,4.94,4.94,4.94,4.94,1.39,4.173489540350803,4.26096889860008,4.299729977926366,4.32294902599109,4.338774422879462,4.3505408970700135,4.3595700651514235,4.366894270115862,4.373002100666333,4.378166018492434,third
+273,2.22,91,2.1229570792505293e+17,1.54,0.43178241642553783,97.6,Unknown,Base,1,0.821799155414055,0.6131184445760334,5.57,1.59388079567618,1.5946277366105353,1.5926049440665597,1.595222537268143,1.5942074157620205,1.5925600074135782,1.595051516818734,1.5938415116259366,1.5928963195007675,1.59532288051758,1.96,1.96,1.96,1.96,1.96,1.96,1.96,1.96,1.96,1.96,1.96,4.1,5.425373068107939,5.425124087796487,5.425798351977812,5.424925820910617,5.42526419474599,5.4258133308621375,5.424982827727085,5.425386162791351,5.425701226833074,5.4248923731608025,third
+270,1.91,95,8.850472611432416e+16,3.73,1.3164082336557241,80.9,Ring,Base,0,0.036935829303227447,0.03293866974567588,3.62,3.5904513365574178,3.560902673114836,3.531354009672254,3.501805346229672,3.47225668278709,3.4427080193445083,3.4131593559019264,3.383610692459344,3.354062029016762,3.3245133655741803,3.57,3.57,3.57,3.57,3.57,3.57,3.57,3.57,3.57,3.57,3.57,1.21,1.2395486634425819,1.269097326885164,1.2986459903277459,1.328194653770328,1.3577433172129099,1.3872919806554918,1.4168406440980739,1.4463893075406558,1.4759379709832379,1.5054866344258198,zero
+277,13.26,99,2.7902109012159587e+17,0.89,-0.11653381625595151,86.0,Unknown,Base,0,0.05973993133842125,0.04145880144396007,2.47,2.4611077889621225,2.453229331645926,2.446238657338539,2.440027219996434,2.43451522809202,2.4296279987241305,2.4252951182877354,2.4214504424739434,2.4180320962699993,2.4149824739592862,0.08,0.07110778896212225,0.06322933164592605,0.05623865733853866,0.05002721999643376,0.044515228092019854,0.03962799872413014,0.03529511828773525,0.031450442473943144,0.02803209626999919,0.0249824739592861,1.8,1.8088922110378778,1.8167706683540739,1.8237613426614614,1.8299727800035661,1.83548477190798,1.8403720012758698,1.8447048817122647,1.8485495575260569,1.8519679037300008,1.8550175260407138,second
+273,4.12,92,3.688292377126111e+17,4.05,1.3987168811184478,112.6,Ring,None,0,0.9189824750389818,0.6943691306399284,9.39,4.496302628473538,2.1600075053271026,1.037280492502912,0.49757217131503106,0.23848308623014358,0.11444328492247532,0.05496185331565477,0.02636825860614813,0.012637378036252783,0.0060696795384559575,0.75,0.75,0.75,0.75,0.75,0.75,0.75,0.75,0.75,0.75,0.75,1.43,1.43,1.43,1.43,1.43,1.43,1.43,1.43,1.43,1.43,1.43,first
+280,8.37,92,4.329631654063109e+16,3.35,1.208960345836975,136.6,Unknown,Enzyme,0,0.29718083002019435,0.21792546456748194,5.38,1.515682381530295,0.8817999511640251,0.6222018639086219,0.4805673858697878,0.39129963226959585,0.3301769625472699,0.285643683663701,0.25143193359555793,0.22470649505831713,0.2031351124646199,2.21,2.21,2.21,2.21,2.21,2.21,2.21,2.21,2.21,2.21,2.21,0.91,2.842158809234852,3.1591000244179877,3.2888990680456893,3.3597163070651064,3.404350183865202,3.4349115187263655,3.4571781581681496,3.4742840332022213,3.4876467524708414,3.4984324437676904,second
+274,5.27,100,1.1254337487388677e+17,3.08,1.1249295969854831,139.2,Branched,Enzyme,0,0.009702735194644783,0.005477547284921752,8.97,7.873562161611692,7.015733791633767,6.324636953484592,5.760391122082665,5.292043175101437,4.8934086274905635,4.547824679200174,4.247937080830337,3.9852854701577862,3.7531506092009637,4.99,4.99,4.99,4.99,4.99,4.99,4.99,4.99,4.99,4.99,4.99,1.48,2.028218919194154,2.457133104183116,2.802681523257704,3.0848044389586673,3.3189784124492814,3.518295686254718,3.691087660399913,3.841031459584831,3.972357264921107,4.088424695399518,second
+280,3.14,95,2.7275295796181168e+17,4.54,1.5129270120532565,192.4,Branched,Base,1,0.5160148975061627,0.266600912080226,9.93,1.6590699768684458,1.4987508521575699,1.4883585853108854,1.487588840475055,1.4876173809273447,1.4861516382161328,1.4872030313334572,1.4886181351858925,1.4884414209216659,1.4875268695359949,4.4,4.4,4.4,4.4,4.4,4.4,4.4,4.4,4.4,4.4,4.4,0.06,4.195465011565777,4.275624573921214,4.2808207073445566,4.281205579762472,4.281191309536327,4.281924180891933,4.281398484333271,4.280690932407054,4.280779289539167,4.281236565232002,second
+280,4.96,90,4.5541555256542285e+17,4.58,1.5216989981260935,107.4,Linear,None,0,7.380669288928519,6.516638659596346,8.75,0.16839375258885136,0.11899851101997544,0.09720613010309717,0.08417532084256857,0.07529886866021898,0.06870483284327121,0.06364712046140938,0.05954359733262011,0.056123237096217776,0.05323195429279956,3.65,3.65,3.65,3.65,3.65,3.65,3.65,3.65,3.65,3.65,3.65,2.72,5.580535415803716,5.597000496326675,5.604264623298967,5.60860822638581,5.611567043779926,5.613765055718909,5.615450959846196,5.616818800889127,5.6179589209679275,5.6189226819024,third
+278,10.2,93,3.845308487342064e+17,4.42,1.4861396960896067,179.7,Unknown,Base,0,1.2886113084974329,0.7498154696528218,5.69,2.0313054797742596,0.7251945873118949,0.2589056333428762,0.09242921012404362,0.032996372344844295,0.011779381396726758,0.0042052134049654745,0.001501304138690411,0.0005360016931553017,0.00019178933722511355,3.13,3.13,3.13,3.13,3.13,3.13,3.13,3.13,3.13,3.13,3.13,4.79,8.448694520225741,9.754805412688105,10.221094366657125,10.387570789875957,10.447003627655157,10.468220618603274,10.475794786595035,10.478498695861312,10.479463998306846,10.479808210662776,first
+271,4.82,97,2.298437371827071e+17,3.6,1.2809338454620642,46.8,Branched,None,0,0.04615574308019801,0.028055287902248437,2.39,2.1745021653325525,1.992947999082246,1.837487207145503,1.702923567977032,1.586155448763617,1.484285231131783,1.3945943699717376,1.3145433934373694,1.2417742482240979,1.1753856732730559,2.67,2.4545021653325523,2.2729479990822457,2.117487207145503,1.9829235679770318,1.8661554487636167,1.7642852311317827,1.6745943699717374,1.5945433934373692,1.5217742482240977,1.4553856732730557,3.97,4.185497834667448,4.367052000917755,4.522512792854498,4.657076432022969,4.773844551236384,4.875714768868218,4.965405630028264,5.045456606562632,5.1182257517759036,5.184614326726946,second
+275,10.39,97,3.227121999800425e+17,4.7,1.547562508716013,121.5,Unknown,None,1,0.12121819984464502,0.09993386645669113,3.67,3.6200488410094214,3.5782001529967333,3.5431436233554456,3.5136772584827796,3.48887027589493,3.468146777296509,3.450938715253721,3.4366792860913673,3.4248029298928455,3.4147453305001516,0.84,0.84,0.84,0.84,0.84,0.84,0.84,0.84,0.84,0.84,0.84,3.77,3.8199511589905786,3.8617998470032666,3.8968563766445543,3.9263227415172204,3.95112972410507,3.971853222703491,3.989061284746279,4.003320713908633,4.015197070107154,4.025254669499849,first
+279,7.1,92,4.2723303716829766e+17,4.24,1.4445632692438664,110.3,Branched,Base,1,2.545171192254281,1.467847012889424,1.5,1.0698439293277267,1.0710915677462705,1.071292172071566,1.0710598831528364,1.0711444952805838,1.0709761786600773,1.0709201758232012,1.0708236544146823,1.070679674353194,1.0702583426128875,0.08,0.08,0.08,0.08,0.08,0.08,0.08,0.08,0.08,0.08,0.08,1.77,1.9850780353361368,1.984454216126865,1.9843539139642172,1.984470058423582,1.984427752359708,1.9845119106699611,1.9845399120883993,1.9845881727926593,1.9846601628234033,1.9848708286935568,second
+279,13.9,99,3.5511191933845997e+17,4.48,1.4996230464268938,63.8,Unknown,None,0,0.10347217151979952,0.08203725454260617,9.02,8.937222262784159,8.85444452556832,8.77166678835248,8.688889051136641,8.6061113139208,8.523333576704962,8.440555839489122,8.357778102273283,8.275000365057442,8.192222627841604,4.48,4.48,4.48,4.48,4.48,4.48,4.48,4.48,4.48,4.48,4.48,2.06,2.1427777372158396,2.2255554744316792,2.308333211647519,2.3911109488633584,2.473888686079198,2.556666423295038,2.6394441605108776,2.722221897726717,2.8049996349425568,2.8877773721583964,zero
+277,1.57,98,4.727675193273058e+17,3.19,1.1600209167967532,187.6,Unknown,Enzyme,1,0.1562625250187901,0.08376949848046986,7.4,1.326939881689455,1.1520468477289012,1.1170374026370264,1.109163671185607,1.1074351146206929,1.1065932916952625,1.1068970029231648,1.1061362836476465,1.1067971429370194,1.1070015531270498,1.31,1.31,1.31,1.31,1.31,1.31,1.31,1.31,1.31,1.31,1.31,0.43,2.454353372770181,2.5126510507570323,2.5243208657876575,2.5269454429381306,2.5275216284597684,2.5278022361015786,2.527700999025611,2.5279545721174506,2.5277342856876595,2.5276661489576493,third
+272,9.79,94,1.347643884174969e+17,1.84,0.6097655716208943,127.0,Ring,Enzyme,0,0.11946649150582135,0.07391869297724539,8.2,3.196601691956293,1.9858878365714816,1.4409688554698248,1.131539877463524,0.9300913827391134,0.7906727553330061,0.687153069323362,0.6072602581684997,0.5445772774535278,0.49364949412926584,3.63,3.63,3.63,3.63,3.63,3.63,3.63,3.63,3.63,3.63,3.63,0.71,3.2116991540218534,3.8170560817142585,4.089515572265087,4.2442300612682375,4.3449543086304425,4.414663622333496,4.466423465338318,4.50636987091575,4.537711361273235,4.563175252935366,second
+273,13.18,91,2.0765080316041664e+17,2.53,0.9282193027394288,156.5,Branched,Acid,1,0.8038186750272146,0.6172802913966234,8.99,2.3732253531048424,2.369481616505471,2.3660903441846606,2.368967359944328,2.366844251854485,2.368577448344977,2.3668407795835003,2.368094979068541,2.3683492042821053,2.3700512788207893,4.53,4.53,4.53,4.53,4.53,4.53,4.53,4.53,4.53,4.53,4.53,4.0,7.308387323447579,7.310259191747264,7.311954827907669,7.310516320027835,7.311577874072757,7.3107112758275115,7.311579610208249,7.310952510465729,7.310825397858946,7.309974360589605,second
+273,13.81,95,2.6882268308343277e+17,3.15,1.1474024528375417,45.9,Branched,Base,0,0.1786158667561567,0.0979146501222189,1.37,1.1875795836567684,1.029450857927779,0.8921773238022258,0.7729551720632333,0.6697316501933106,0.58055280222853,0.503556349097678,0.4369716886222562,0.3791198955164803,0.32865508830312345,3.03,3.03,3.03,3.03,3.03,3.03,3.03,3.03,3.03,3.03,3.03,3.54,3.7224204163432315,3.880549142072221,4.017822676197774,4.137044827936767,4.24026834980669,4.32944719777147,4.406443650902322,4.473028311377744,4.53088010448352,4.581344911696877,first
+270,13.5,92,4.1692977343844685e+17,2.19,0.7839015438284094,85.6,Ring,None,1,0.6621405001195599,0.5624336425233841,4.46,3.936192876116865,3.7422533663908917,3.668629204507958,3.6406158666374244,3.6300817857232843,3.6263285931928455,3.6248430254953012,3.623798791712542,3.624464748357849,3.6241488071594667,3.13,3.13,3.13,3.13,3.13,3.13,3.13,3.13,3.13,3.13,3.13,3.43,3.953807123883135,4.147746633609109,4.221370795492043,4.249384133362576,4.259918214276716,4.263671406807155,4.265156974504698,4.266201208287458,4.2655352516421505,4.265851192840533,first
+277,2.93,90,4.0031059579934246e+17,4.34,1.4678743481123135,186.0,Branched,Base,1,4.268157512275866,3.171420504560549,3.26,1.258809937564452,1.2592671254715506,1.2600771358080156,1.2583699484566606,1.2602127605277123,1.2594752132240457,1.258474290643216,1.2606502621044455,1.2586691834573014,1.2594480554142944,3.84,3.84,3.84,3.84,3.84,3.84,3.84,3.84,3.84,3.84,3.84,2.02,2.687063354145182,2.6869109581761492,2.6866409547306604,2.6872100171811115,2.6865957464907613,2.686841595591985,2.6871752364522608,2.686449912631852,2.6871102721809,2.6868506481952354,third
+274,2.96,94,2.4050238415191178e+17,2.71,0.9969486348916096,32.7,Branched,None,0,0.28877472292574824,0.16097445747728198,6.96,1.6563170455529492,0.9391321353176306,0.6556199895713772,0.5040382089434639,0.4088266887544138,0.34437880924778336,0.29698713298295926,0.26137111521177253,0.23344937262857704,0.21072047320646609,4.28,4.28,4.28,4.28,4.28,4.28,4.28,4.28,4.28,4.28,4.28,3.61,6.261841477223526,6.620433932341185,6.762190005214312,6.837980895528268,6.885586655622794,6.917810595376109,6.941506433508521,6.959314442394114,6.973275313685712,6.984639763396768,second
+280,2.48,96,3.935165832229915e+16,1.41,0.34358970439007686,191.5,Unknown,Base,0,0.048450335212921816,0.03696920391545195,1.14,1.0966586778732983,1.054965140902719,1.0148567226011962,0.976272884860863,0.9391559227600895,0.9034503168206816,0.8691024479225161,0.8360605973035407,0.8042749465597738,0.7736975776453048,1.45,1.45,1.45,1.45,1.45,1.45,1.45,1.45,1.45,1.45,1.45,3.24,3.2833413221267023,3.3250348590972814,3.365143277398804,3.4037271151391373,3.4408440772399107,3.476549683179319,3.510897552077484,3.5439394026964597,3.5757250534402267,3.6063024223546956,first
+273,8.09,97,1.7751889323211485e+17,0.94,-0.06187540371808753,36.9,Unknown,Enzyme,0,0.04886675821472754,0.028559557493915748,4.88,1.9061996108832941,1.4016518167830754,1.160870342807272,1.0117139402686726,0.9094416308227562,0.8323557848431841,0.7719046818572204,0.7234858870239984,0.6832299177116038,0.6486503822305705,1.12,1.12,1.12,1.12,1.12,1.12,1.12,1.12,1.12,1.12,1.12,3.84,4.831266796372234,4.999449394405641,5.079709885730908,5.129428686577109,5.163519456392414,5.189214738385605,5.209365106047593,5.225504704325334,5.238923360762799,5.250449872589809,third
+279,13.41,97,2.4822926424683144e+16,3.28,1.1878434223960523,34.0,Branched,Enzyme,0,0.01713036755707624,0.011956397743292569,8.78,8.660497020440564,8.542620574327312,8.42634852215458,8.311659016017906,8.198530527930387,8.086941820443975,7.976871936099388,7.868300197426125,7.761206206942452,7.655569847155414,3.13,3.13,3.13,3.13,3.13,3.13,3.13,3.13,3.13,3.13,3.13,2.88,2.999502979559434,3.1173794256726874,3.2336514778454193,3.348340983982094,3.461469472069612,3.5730581795560257,3.683128063900612,3.7916998025738757,3.898793793057548,4.004430152844586,first
+274,2.55,98,7.312110886729011e+16,1.89,0.636576829071551,31.3,Ring,Base,0,0.015167204010191332,0.007814644489216992,8.36,6.9500339073068735,5.9461221753853755,5.196544018915125,4.618471334859109,4.153191076306986,3.7723078327711352,3.457089099499747,3.1915068719521473,2.9627313214964803,2.764004732242312,1.42,1.42,1.42,1.42,1.42,1.42,1.42,1.42,1.42,1.42,1.42,0.87,1.574983046346563,2.0769389123073116,2.4517279905424374,2.7407643325704454,2.9734044618465063,3.1638460836144318,3.321455450250126,3.4542465640239257,3.568634339251759,3.6679976338788434,second
+279,5.29,92,2.7442954517721027e+17,4.75,1.55814461804655,134.9,Unknown,None,0,1.6348692912840812,0.8764335465008878,1.95,0.20769679635656577,0.045958960100575784,0.01129603538893866,0.0028420684276813566,0.0007188770845528872,0.00018273705106230785,4.6535444820305184e-05,1.199353400936786e-05,3.1025972115380335e-06,8.400977757318001e-07,3.0,1.257696796356566,1.095958960100576,1.0612960353889387,1.0528420684276814,1.050718877084553,1.0501827370510626,1.0500465354448205,1.0500119935340095,1.0500031025972119,1.050000840097776,3.56,5.302303203643434,5.464041039899424,5.49870396461106,5.507157931572318,5.509281122915446,5.509817262948937,5.5099534645551795,5.50998800646599,5.509996897402788,5.5099991599022236,second
+273,13.34,94,2.8181075314820573e+17,3.27,1.184789984909162,124.7,Ring,Enzyme,0,0.2909070677219529,0.23057536736037842,6.71,0.8423419450905669,0.5975155638848645,0.48866290371412774,0.4231085068983881,0.3788788543144308,0.3457012783791665,0.3201242319050254,0.2996742246395112,0.28252947239995524,0.2679889430767303,2.39,2.39,2.39,2.39,2.39,2.39,2.39,2.39,2.39,2.39,2.39,3.87,5.825886018303146,5.90749481203838,5.943779032095293,5.965630497700539,5.9803737152285255,5.9914329072069465,5.999958589364994,6.006775258453498,6.012490175866683,6.017337018974425,third
+271,11.33,97,3.3208641872636275e+17,1.27,0.23901690047049992,154.3,Branched,Enzyme,0,0.06668746171218398,0.03566299117458603,1.53,1.4766500306302528,1.4233000612605056,1.3699500918907583,1.316600122521011,1.2632501531512639,1.2099001837815166,1.1565502144117694,1.1032002450420224,1.049850275672275,0.9965003063025277,1.64,1.64,1.64,1.64,1.64,1.64,1.64,1.64,1.64,1.64,1.64,1.77,1.8233499693697472,1.8766999387394945,1.9300499081092417,1.983399877478989,2.036749846848736,2.0900998162184834,2.1434497855882304,2.196799754957978,2.250149724327725,2.3034996936974723,zero
+280,6.32,90,4.300098651750148e+17,2.73,1.0043016091968684,151.1,Branched,Base,0,6.968933291705265,4.586468340274893,5.61,0.17325017548880248,0.12247432457014437,0.10005542805241982,0.08659519516159701,0.07750869235755611,0.07070516277735929,0.06547470127920116,0.061282236129818,0.05776432857108857,0.05478766000446621,0.07,0.07,0.07,0.07,0.07,0.07,0.07,0.07,0.07,0.07,0.07,3.82,5.632249941503734,5.649175225143288,5.656648190649196,5.661134934946136,5.66416376921415,5.66643161240755,5.668175099573602,5.66957258795673,5.67074522380964,5.671737446665181,third
+272,2.16,99,1.7334415673452637e+17,1.66,0.5068176023684519,147.8,Ring,Enzyme,1,0.01684030308629827,0.010094482749285734,8.89,7.200127430610516,6.068181386855617,5.26142302330463,4.663967016452706,4.1986248172334495,3.831258853354055,3.5371906448724033,3.2957509263342546,3.093681788643177,2.924074865122614,3.6,3.6,3.6,3.6,3.6,3.6,3.6,3.6,3.6,3.6,3.6,1.64,2.484936284694742,3.0509093065721915,3.454288488347685,3.753016491773647,3.985687591383275,4.169370573322973,4.316404677563798,4.437124536832873,4.538159105678412,4.622962567438694,second
+276,6.53,94,2.221589956780736e+17,4.94,1.5973653311998313,159.3,Unknown,None,1,0.35971854261356395,0.31307185137377797,9.2,7.462418403353987,6.44712124385504,5.8567790274578515,5.509854323489882,5.3094408440398455,5.190660553326822,5.122159685398355,5.082760470451443,5.058867076877678,5.045185941562274,0.98,0.98,0.98,0.98,0.98,0.98,0.98,0.98,0.98,0.98,0.98,1.6,3.337581596646012,4.352878756144959,4.943220972542147,5.290145676510117,5.490559155960153,5.609339446673177,5.677840314601644,5.717239529548556,5.741132923122321,5.7548140584377245,first
+279,1.84,90,2.358209815415778e+16,4.9,1.589235205116581,171.9,Unknown,Base,1,0.3327284989150163,0.1760821326467883,3.67,3.1948320174684834,2.878851146504382,2.667420745480503,2.5282172642206815,2.43552372314555,2.3727950642963394,2.331895408561201,2.3046835417231386,2.2861880276503337,2.2739267102601652,0.69,0.69,0.69,0.69,0.69,0.69,0.69,0.69,0.69,0.69,0.69,2.83,3.3051679825315166,3.621148853495618,3.832579254519497,3.9717827357793185,4.06447627685445,4.127204935703661,4.168104591438799,4.195316458276862,4.213811972349666,4.226073289739834,first
+273,5.61,100,2.6624092427104234e+17,2.47,0.9042181506398859,119.4,Linear,Base,0,0.019544114370635884,0.011553041467408258,4.67,4.59755104470242,4.526226040601628,4.456007551002548,4.386878402353729,4.3188216977030764,4.251820810995331,4.185859364487831,4.120921228642919,4.056990522127944,3.9940516118152622,3.13,3.13,3.13,3.13,3.13,3.13,3.13,3.13,3.13,3.13,3.13,3.96,4.03244895529758,4.103773959398372,4.173992448997452,4.243121597646271,4.3111783022969234,4.378179189004669,4.444140635512169,4.509078771357081,4.573009477872056,4.635948388184738,first
+270,8.29,100,3.686506963973236e+17,4.43,1.4883995840570443,178.8,Linear,Enzyme,0,0.01658644702751648,0.00993673259058937,6.39,6.305770148076472,6.222650572931695,6.140626639612414,6.05968390409877,5.979808111863132,5.9009852055398095,5.823201308669651,5.746442723882024,5.670695932894821,5.595947596514458,3.06,3.06,3.06,3.06,3.06,3.06,3.06,3.06,3.06,3.06,3.06,0.02,0.02,0.02,0.02,0.02,0.02,0.02,0.02,0.02,0.02,0.02,first
+274,5.31,97,8.624550298008773e+16,4.3,1.4586150226995167,173.3,Ring,Enzyme,1,0.027748753341182604,0.022111077177865097,4.46,2.4182211079281335,1.75846640430296,1.4236231379831414,1.2223138715125734,1.0905331482325586,0.9988587798464047,0.9324477587341469,0.8840925946786413,0.847558420701472,0.8194872041172978,4.98,3.9591105539640674,3.6292332021514806,3.4618115689915716,3.3611569357562874,3.29526657411628,3.249429389923203,3.2162238793670745,3.1920462973393215,3.173779210350737,3.15974360205865,0.15,1.1708894460359336,1.5007667978485204,1.6681884310084296,1.7688430642437136,1.834733425883721,1.880570610076798,1.913776120632927,1.9379537026606797,1.9562207896492645,1.9702563979413514,third
+274,1.37,91,3.469450196159086e+17,4.32,1.463255402256019,24.1,Linear,Enzyme,0,1.5546521081130016,0.8182332698174365,4.69,0.2685973038872037,0.15069493631678552,0.10576561625366306,0.08180088813549988,0.06668994787078839,0.05643984845478051,0.048880003482563376,0.04312808971530956,0.03863980921669449,0.03497995714507119,3.42,1.2092986519436013,1.150347468158392,1.1278828081268308,1.1159004440677491,1.1083449739353932,1.1032199242273895,1.0994400017412809,1.096564044857654,1.0943199046083463,1.0924899785725346,1.06,3.2707013480563996,3.3296525318416084,3.3521171918731696,3.364099555932251,3.371655026064607,3.376780075772611,3.380559998258719,3.383435955142346,3.3856800953916535,3.3875100214274654,third
+276,12.38,96,2.9433154766189734e+17,1.67,0.5128236264286637,157.1,Branched,Acid,0,0.19934721881708972,0.12697800959121733,2.27,2.1105222249463282,1.9510444498926562,1.7915666748389847,1.632088899785313,1.4726111247316411,1.3131333496779691,1.1536555746242974,0.9941777995706255,0.8347000245169538,0.6752222494632816,4.15,4.15,4.15,4.15,4.15,4.15,4.15,4.15,4.15,4.15,4.15,2.42,2.5794777750536717,2.7389555501073435,2.8984333251610153,3.057911100214687,3.217388875268359,3.3768666503220306,3.5363444253757024,3.6958222004293746,3.855299975483046,4.014777750536719,zero
+275,8.61,95,4.7091511440978925e+17,4.16,1.425515074273172,35.2,Unknown,Enzyme,0,0.42422580977244456,0.28242676572152564,5.68,5.380014833970684,5.379998745097889,5.380000241352481,5.380001516538036,5.380001039787622,5.380001855744602,5.380002078928016,5.38000192403704,5.380002851503984,5.380001514471303,0.15,7.416985341545625e-06,-6.274510554658974e-07,1.206762408976318e-07,7.582690178360444e-07,5.198938109758931e-07,9.278723014123637e-07,1.0394640083819941e-06,9.620185203103572e-07,1.4257519927262307e-06,7.572356522524007e-07,4.36,4.509992583014658,4.510000627451055,4.509999879323758,4.5099992417309815,4.509999480106189,4.509999072127698,4.509998960535991,4.509999037981479,4.509998574248006,4.509999242764347,third
+274,6.01,96,1.087857008564799e+17,2.52,0.9242589015233319,138.5,Unknown,None,0,0.05429040591573965,0.04015058719577052,4.08,4.036567675267409,3.993135350534817,3.949703025802225,3.906270701069633,3.8628383763370415,3.81940605160445,3.7759737268718583,3.732541402139266,3.6891090774066746,3.645676752674083,0.09,0.09,0.09,0.09,0.09,0.09,0.09,0.09,0.09,0.09,0.09,4.33,4.373432324732591,4.416864649465183,4.460296974197775,4.5037292989303666,4.547161623662959,4.590593948395551,4.634026273128142,4.677458597860734,4.720890922593325,4.764323247325917,zero
+275,5.79,96,1.4161537480770349e+17,2.21,0.7929925155296614,103.3,Linear,Acid,0,0.08237849587490495,0.07086179033654005,9.96,9.783047135787987,9.691797375323718,9.64392625365929,9.618568296814493,9.605181838731164,9.598075198948363,9.594287221653953,9.592281994284344,9.591213868838027,9.590645681763831,0.37,0.1930471357879867,0.10179737532371817,0.05392625365928798,0.02856829681449164,0.015181838731162217,0.008075198948361697,0.004287221653951689,0.002281994284342526,0.001213868838026591,0.0006456817638305042,1.79,1.9669528642120133,2.058202624676282,2.106073746340712,2.1314317031855086,2.1448181612688377,2.151924801051638,2.155712778346048,2.1577180057156573,2.158786131161973,2.159354318236169,second
+276,12.53,100,2.3514950474583996e+16,4.06,1.4011829736136412,188.3,Branched,Base,0,0.00278654669874076,0.001518587440939378,5.79,5.77710709170707,5.764242892755041,5.751407339215495,5.738600367302051,5.725821913370295,5.713071913917529,5.700350305582902,5.687657025146532,5.674992009528985,5.662355195791274,4.55,4.55,4.55,4.55,4.55,4.55,4.55,4.55,4.55,4.55,4.55,1.14,1.14,1.14,1.14,1.14,1.14,1.14,1.14,1.14,1.14,1.14,first
+270,6.13,90,1.807390846306713e+17,2.88,1.0577902941478545,105.8,Linear,Base,0,0.6996430994838166,0.6012197888234107,2.72,0.5364236564255919,0.38276174961079446,0.3136298040605393,0.2721217493328555,0.243578337549161,0.22243909649503651,0.20617608672400725,0.19290696075948266,0.18187807172301543,0.17254764707949147,4.22,4.22,4.22,4.22,4.22,4.22,4.22,4.22,4.22,4.22,4.22,4.18,4.907858781191469,4.959079416796401,4.982123398646487,4.995959416889048,5.005473887483612,5.012520301168321,5.017941304425331,5.0223643464135055,5.0260406427589945,5.029150784306836,third
+277,12.36,100,4.111209018599803e+17,1.39,0.3293037471426003,106.2,Unknown,Enzyme,1,0.05701875457265795,0.04855466160303611,9.24,6.841014936281457,6.680625326479867,6.662317163596225,6.660133826268301,6.659870533893177,6.659824501092562,6.659860875464274,6.659762180096719,6.659940916440757,6.659864653426159,1.34,0.14050746814072868,0.060312663239933964,0.0511585817981131,0.05006691313415074,0.049935266946589,0.04991225054628158,0.04993043773213716,0.049881090048359715,0.04997045822037871,0.04993232671307991,1.31,2.5094925318592716,2.5896873367600666,2.5988414182018875,2.5999330868658497,2.6000647330534115,2.6000877494537193,2.6000695622678633,2.600118909951641,2.6000295417796218,2.6000676732869206,third
+280,1.08,93,5.934416892151068e+16,4.22,1.4398351280479205,51.8,Unknown,Enzyme,1,0.26508726842854546,0.17417221992370238,3.9,2.0040306418856493,1.9228309601009386,1.9158199747100124,1.9150398389454328,1.9146315039106903,1.9161097931977897,1.9144138109185975,1.9150481774310606,1.9166174231150002,1.9154157154944986,1.91,0.9620153209428247,0.9214154800504692,0.9179099873550062,0.9175199194727164,0.9173157519553451,0.9180548965988948,0.9172069054592987,0.9175240887155303,0.9183087115575,0.9177078577472493,4.13,5.077984679057176,5.118584519949531,5.1220900126449935,5.122480080527284,5.122684248044655,5.121945103401105,5.122793094540701,5.122475911284469,5.121691288442499,5.12229214225275,third
+279,11.54,93,1.6122994384514803e+17,4.17,1.4279160358107101,71.7,Unknown,None,1,0.6241229885164441,0.4555385415441998,6.73,1.6860984939378934,1.6869934650761351,1.6864086877611715,1.6856100232456752,1.6850526729110338,1.6848654455445573,1.6845396254848997,1.6842690232927153,1.6844317015414358,1.6862667990553553,1.58,1.58,1.58,1.58,1.58,1.58,1.58,1.58,1.58,1.58,1.58,4.88,6.561300502020703,6.561002178307955,6.56119710407961,6.561463325584776,6.5616491090296565,6.5617115181518155,6.561820124838367,6.561910325569096,6.561856099486189,6.561244400314883,third
+271,12.29,91,3.907793752286427e+17,4.95,1.599387576580599,164.0,Ring,Acid,0,1.125260231497981,0.6900646693919527,6.3,3.2456945007399014,3.155476667115333,3.1503221434878763,3.1500188245838676,3.1500012564068878,3.150000005157149,3.1500000530518255,3.150000606666045,3.1499997743621972,3.1500001837035603,3.15,0.09569450073990163,0.005476667115333473,0.0003221434878770784,1.882458386826054e-05,1.2564068882783875e-06,5.157149484330007e-09,5.305182635533151e-08,6.066660456218649e-07,-2.2563780198783504e-07,1.8370356139482867e-07,4.95,8.004305499260099,8.094523332884668,8.099677856512125,8.099981175416135,8.099998743593114,8.099999994842852,8.099999946948175,8.099999393333956,8.100000225637805,8.09999981629644,second
+277,7.18,90,1.3663798948835478e+17,2.41,0.8796267475025636,25.1,Branched,Acid,1,1.456849924575367,1.0413746042238297,6.42,4.567191073385304,4.565300460681728,4.565816009405616,4.565493113746751,4.566019776023518,4.565356243960279,4.565362681066163,4.565278844947182,4.564966588272761,4.565756799626198,2.45,0.5971910733853054,0.5953004606817285,0.595816009405617,0.5954931137467523,0.5960197760235191,0.5953562439602798,0.5953626810661633,0.5952788449471824,0.5949665882727618,0.5957567996261984,1.95,3.8028089266146945,3.804699539318271,3.8041839905943826,3.804506886253247,3.80398022397648,3.804643756039719,3.8046373189338354,3.804721155052816,3.8050334117272366,3.8042432003738003,second
+280,8.4,96,1.9712305461664006e+17,0.66,-0.4155154439616658,68.2,Branched,Base,0,0.2427007775923711,0.1571771129092467,2.94,0.885443720059265,0.6409197887714503,0.5274412124642825,0.45838912566078366,0.4111780047203095,0.37598255514189133,0.3483082361949935,0.32617994486135254,0.30790367955676146,0.292225881358561,2.24,2.24,2.24,2.24,2.24,2.24,2.24,2.24,2.24,2.24,2.24,4.44,5.124852093313579,5.2063600704095165,5.244186262511906,5.267203624779739,5.28294066509323,5.2946724816193695,5.30389725460167,5.311273351712883,5.317365440147746,5.32259137288048,third
+272,12.17,93,2.8685070993856547e+17,4.12,1.415853163361435,156.5,Ring,Acid,0,0.3957062842624613,0.2668438007042968,1.59,1.273434972590031,0.9568699451800621,0.6403049177700929,0.32373989036012396,0.007174862950154681,-0.3093901644598147,-0.6259551918697843,-0.9425202192797539,-1.2590852466897235,-1.5756502740996936,3.37,3.37,3.37,3.37,3.37,3.37,3.37,3.37,3.37,3.37,3.37,3.07,3.3865650274099686,3.7031300548199377,4.019695082229907,4.336260109639876,4.652825137049845,4.969390164459814,5.285955191869784,5.602520219279754,5.919085246689724,6.235650274099694,zero
+270,2.62,91,2.448230413824426e+17,1.16,0.14842000511827322,166.9,Linear,Enzyme,0,0.6070271956612514,0.47554574967688584,8.58,0.9224527442160626,0.4871362161354262,0.33105741444326864,0.25093530603326986,0.20177029723035067,0.16894490373143425,0.14507886021348812,0.12729568976229227,0.11337948726015282,0.10213277493356732,4.89,4.89,4.89,4.89,4.89,4.89,4.89,4.89,4.89,4.89,4.89,4.98,8.80877362789197,9.02643189193229,9.104471292778369,9.144532346983368,9.169114851384828,9.185527548134287,9.19746056989326,9.206352155118857,9.213310256369926,9.218933612533219,second
+276,8.98,92,3.0285748676043526e+17,2.72,1.000631880307906,119.2,Unknown,Base,0,1.1723648549617138,0.6619604951159423,1.63,0.40878182291360593,0.29375290165124707,0.2411137454410529,0.20955815415013723,0.18759348906835355,0.17150759363369739,0.15896112496233952,0.14873219268262414,0.14026779130916764,0.1330996599556377,3.97,3.97,3.97,3.97,3.97,3.97,3.97,3.97,3.97,3.97,3.97,4.84,5.247072725695465,5.285415699449585,5.302962084852982,5.313480615283288,5.320802170310548,5.326164135455434,5.33034629167922,5.333755935772458,5.3365774028969435,5.338966780014787,third
+279,11.47,99,4.764231106920961e+17,3.82,1.3402504226184837,155.9,Unknown,Enzyme,0,0.13881971046582667,0.1050646650433751,1.67,0.990751632482552,0.7705613131236573,0.6528849542032928,0.5763953195628599,0.5218677074354109,0.47999235495854675,0.4471427167357314,0.4203639384836614,0.3976276444555476,0.37820428007455603,0.15,0.15,0.15,0.15,0.15,0.15,0.15,0.15,0.15,0.15,0.15,0.82,1.046416122505816,1.1198128956254476,1.1590383485989022,1.1845348934790465,1.2027107641881962,1.2166692150138176,1.227619094421423,1.2365453538387796,1.2441241185148175,1.2505985733084812,third
+270,6.08,97,3.6280524843150586e+17,4.22,1.4398351280479205,153.4,Linear,Enzyme,0,0.06211803644810601,0.04723576956629483,7.85,7.680403159579239,7.566777019615585,7.4896884159883985,7.437336424164501,7.401105873092733,7.376218235956493,7.359022999314379,7.347057247852382,7.338815581714804,7.333073080166853,0.53,0.36040315957923924,0.24677701961558457,0.1696884159883985,0.11733642416450124,0.08110587309273243,0.05621823595649311,0.03902299931437929,0.027057247852381627,0.018815581714803933,0.013073080166853948,0.62,0.7895968404207607,0.9032229803844154,0.9803115840116015,1.0326635758354987,1.0688941269072676,1.0937817640435068,1.1109770006856206,1.1229427521476183,1.131184418285196,1.136926919833146,second
+276,7.29,97,4.7735606758892486e+17,3.39,1.220829921392359,133.2,Branched,Base,0,0.20909952039643767,0.13207494181584836,8.84,6.829965523747575,6.306163836822212,6.134421959081267,6.074074858396105,6.052373641851128,6.044503494910586,6.0416405341549915,6.0405979066281725,6.040218084968622,6.04007972079879,2.8,0.7899655237475739,0.2661638368222115,0.09442195908126624,0.03407485839610405,0.012373641851127328,0.004503494910584812,0.0016405341549903991,0.0005979066281715639,0.0002180849686203101,7.972079878885227e-05,4.11,6.1200344762524255,6.643836163177788,6.815578040918733,6.875925141603895,6.897626358148872,6.905496505089414,6.908359465845009,6.909402093371828,6.909781915031378,6.90992027920121,second
+280,7.48,92,4.171224862340351e+17,0.62,-0.4780358009429998,31.0,Branched,Enzyme,1,2.8630797394228122,2.4332853827900447,3.85,4.0623519955316025,4.066066616589693,4.064660346047726,4.06338844632372,4.067560853590205,4.069999705403244,4.063820107700271,4.066157022274428,4.070143519723575,4.0649795476689174,1.43,1.43,1.43,1.43,1.43,1.43,1.43,1.43,1.43,1.43,1.43,5.0,4.787648004468398,4.783933383410307,4.785339653952274,4.7866115536762806,4.7824391464097955,4.780000294596756,4.78617989229973,4.783842977725572,4.779856480276425,4.785020452331083,first
+280,2.1,91,8.966324711123933e+16,2.32,0.8415671856782185,180.1,Branched,Enzyme,1,0.9456780903140096,0.6919710135268251,1.73,1.876306516351505,1.8822090661077802,1.882838559995471,1.8829388055963119,1.8827752076673976,1.8815848448088868,1.8810928133145375,1.8820093536868434,1.8826235056055112,1.881944767713272,1.6,1.746306516351505,1.7522090661077803,1.752838559995471,1.752938805596312,1.7527752076673977,1.7515848448088869,1.7510928133145376,1.7520093536868435,1.7526235056055113,1.751944767713272,4.66,4.513693483648495,4.50779093389222,4.50716144000453,4.507061194403689,4.507224792332603,4.508415155191114,4.5089071866854615,4.507990646313156,4.507376494394489,4.508055232286728,second
+271,13.53,97,3.600982908316825e+17,2.33,0.8458682675776092,81.1,Linear,Enzyme,1,0.07231262595610134,0.05728095248255001,6.34,5.674839828649346,5.27330374150715,5.01720678276317,4.8503605806045975,4.737573568132445,4.661976351550667,4.609973878628098,4.5738312918642015,4.549341340543942,4.532343276120894,2.79,2.1248398286493453,1.7233037415071497,1.4672067827631692,1.300360580604598,1.1875735681324455,1.111976351550667,1.0599738786280977,1.0238312918642007,0.9993413405439412,0.9823432761208933,3.5,4.165160171350655,4.5666962584928505,4.822793217236831,4.989639419395403,5.102426431867555,5.178023648449334,5.230026121371902,5.266168708135799,5.290658659456059,5.307656723879107,second
+279,13.52,96,3.383187300023491e+17,4.53,1.5107219394949427,160.0,Branched,None,0,0.35930845523054405,0.18988083323816463,8.7,1.4534209444451915,0.7928683916600329,0.5451503531913281,0.41549249304420094,0.3357815584947008,0.2815216617050763,0.24238337584275893,0.2130350792275703,0.18979932599213348,0.17112838919343532,4.49,4.49,4.49,4.49,4.49,4.49,4.49,4.49,4.49,4.49,4.49,0.99,4.613289527777403,4.943565804169983,5.067424823404335,5.132253753477899,5.172109220752649,5.199239169147462,5.21880831207862,5.233482460386215,5.245100337003933,5.254435805403282,second
+270,6.36,95,3.699621983646715e+17,4.97,1.6034198401085373,62.4,Linear,Base,1,0.15439695943234688,0.09862262175397339,5.13,2.5912987374492786,2.0183309765312916,1.8275454313871633,1.7559163983985424,1.7284230594947838,1.7178579050674618,1.7131630286334945,1.7116418360592784,1.7110832336491426,1.7106627586597691,4.87,4.87,4.87,4.87,4.87,4.87,4.87,4.87,4.87,4.87,4.87,2.87,4.139350631275361,4.4258345117343545,4.521227284306419,4.55704180080073,4.570788470252609,4.57607104746627,4.578418485683253,4.579179081970361,4.579458383175429,4.579668620670116,second
+277,13.63,98,5.486570661509506e+16,1.2,0.1823215567939546,40.0,Branched,Base,0,0.01813460845367282,0.00993452191072216,2.42,2.261221015357791,2.1219995368004616,1.9988614890241385,1.889030685616038,1.7907238144332842,1.7023875085882143,1.6226147067566532,1.5501446531779126,1.48386289765479,1.422801295553572,2.54,2.54,2.54,2.54,2.54,2.54,2.54,2.54,2.54,2.54,2.54,4.43,4.509389492321104,4.579000231599769,4.6405692554879305,4.695484657191981,4.744638092783358,4.788806245705893,4.828692646621674,4.864927673411044,4.898068551172605,4.928599352223214,second
+270,8.29,90,3.4452274985936e+17,2.61,0.959350221334602,179.8,Ring,Base,1,1.3336515731882017,0.8405471454354887,6.03,3.3410939474182166,2.868837115966733,2.7855238902791193,2.7710042720865937,2.768862757078102,2.7682570303130474,2.7673032135503997,2.768076012557246,2.7690069119371454,2.768361134281433,2.09,2.09,2.09,2.09,2.09,2.09,2.09,2.09,2.09,2.09,2.09,1.13,3.8189060525817835,4.291162884033266,4.37447610972088,4.388995727913406,4.391137242921898,4.391742969686953,4.3926967864496005,4.391923987442754,4.390993088062855,4.3916388657185665,first
+272,6.59,98,2.6392289202977123e+17,1.46,0.37843643572024505,76.9,Branched,Enzyme,0,0.03989916546221204,0.027756292477683256,9.46,4.980501410121872,4.185365000845203,3.8408128895313993,3.6535460224524465,3.5409894576307113,3.46958190772886,3.422433616295196,3.39078327800799,3.369221579974887,3.3543195462200646,3.07,0.8302507050609351,0.432682500422601,0.2604064447656992,0.16677301122622287,0.1104947288153553,0.07479095386442956,0.05121680814759751,0.03539163900399455,0.02461078998744284,0.017159773110031813,4.64,6.879749294939065,7.277317499577398,7.4495935552343,7.5432269887737755,7.599505271184643,7.635209046135569,7.658783191852401,7.674608360996004,7.685389210012556,7.692840226889967,third
+280,10.69,90,4.062387197960567e+17,3.23,1.172482137234565,172.0,Ring,Base,0,6.583687417529883,4.177066677644343,7.09,0.09402355555811973,0.047361962237169056,0.03164559293466592,0.02374227646200244,0.01900741954031664,0.015846772233141824,0.013594735813754744,0.011888299139264718,0.010572943851530247,0.009521223870175902,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,4.06,7.557988222220939,7.581319018881414,7.589177203532667,7.593128861768998,7.595496290229841,7.597076613883428,7.5982026320931215,7.599055850430367,7.599713528074234,7.600239388064911,second
+279,1.37,92,1.52467515025554e+17,4.3,1.4586150226995167,158.7,Unknown,None,1,0.9083003729525998,0.4973464981257643,1.93,0.899878879221499,0.8980928630662043,0.8990281626271722,0.8987654418650264,0.8975833010570694,0.8987169615747155,0.8991641811910224,0.8978339007243629,0.8981562461639206,0.899099599685763,0.61,0.61,0.61,0.61,0.61,0.61,0.61,0.61,0.61,0.61,0.61,0.98,1.323373706926167,1.3239690456445987,1.3236572791242762,1.3237448527116582,1.3241388996476438,1.3237610128084283,1.3236119396029928,1.3240553664252126,1.3239479179453602,1.323633466771413,third
+270,4.5,97,2.3693390941858896e+17,1.3,0.26236426446749106,52.7,Ring,None,1,0.04056685862369697,0.03606666629261821,4.1,2.127325524824106,1.7499378698900419,1.6055997430338274,1.5407276836283443,1.508171952016936,1.4928878924727256,1.4842110294344357,1.4802623445733358,1.4783216835100652,1.4770589086032235,0.42,0.42,0.42,0.42,0.42,0.42,0.42,0.42,0.42,0.42,0.42,2.74,3.3975581583919645,3.523354043369986,3.5714667523220576,3.593090772123885,3.603942682661021,3.609037369175758,3.611929656855188,3.6132458851422213,3.6138927721633114,3.6143136971322587,third
+273,11.59,90,3.023644976857209e+17,2.05,0.7178397931503168,30.7,Unknown,Acid,0,1.818435334507499,1.626889730374131,3.94,0.17958781406455077,0.0967030274377367,0.06650418196744294,0.05080301111807989,0.041064395964090374,0.03453487947497562,0.029750110098492707,0.026160667307803278,0.02336086734030131,0.021081457231433464,3.55,1.6697939070322756,1.6283515137188687,1.6132520909837218,1.6054015055590403,1.6005321979820455,1.5972674397374882,1.5948750550492465,1.593080333653902,1.5916804336701509,1.590540728615717,4.98,6.860206092967724,6.901648486281131,6.916747909016277,6.924598494440959,6.929467802017953,6.932732560262511,6.935124944950752,6.936919666346097,6.938319566329848,6.9394592713842815,third
+271,9.59,96,1.9810897068561757e+17,1.71,0.5364933705145685,23.0,Unknown,Enzyme,1,0.06200859980895532,0.03801894436566883,8.18,4.563738518817695,3.2405229562186326,2.57777336442894,2.1969898735300015,1.9581459380151043,1.802202928938745,1.6951370546095994,1.6221750215031736,1.5705442912504513,1.5334958384027586,3.63,3.63,3.63,3.63,3.63,3.63,3.63,3.63,3.63,3.63,3.63,0.0,1.8081307405911522,2.4697385218906835,2.80111331778553,2.9915050632349995,3.110927030992448,3.1888985355306274,3.2424314726952,3.278912489248413,3.3047278543747742,3.3232520807986203,second
+277,8.12,100,4.3420050922117075e+17,4.91,1.5912739418064292,98.6,Branched,Base,1,0.060219687587270816,0.033342467819293335,9.37,8.616999986468702,8.173496532900709,7.898960761513541,7.725039825803606,7.612114883448485,7.538915035020313,7.490127829414501,7.458206000137865,7.437025674175898,7.4228169675717925,2.42,1.6669999864687033,1.2234965329007088,0.9489607615135418,0.7750398258036063,0.6621148834484856,0.588915035020314,0.5401278294145019,0.5082060001378664,0.48702567417589915,0.4728169675717926,3.96,4.713000013531296,5.156503467099291,5.431039238486458,5.6049601741963935,5.717885116551514,5.791084964979686,5.839872170585498,5.871793999862134,5.892974325824101,5.907183032428207,second
+271,6.1,93,1.6146860383638314e+17,2.65,0.9745596399981308,111.9,Ring,Enzyme,0,0.19138152248636042,0.1653952235170683,3.73,1.0064886012859569,0.724837190964257,0.5957492733059272,0.5177886011259907,0.46387786385088897,0.42392162412613976,0.39311033736033185,0.36792254760479415,0.3469839244430577,0.32925638051363076,1.52,1.52,1.52,1.52,1.52,1.52,1.52,1.52,1.52,1.52,1.52,1.35,2.257837132904681,2.351720936345248,2.3947502422313574,2.4207371329580027,2.4387073787163702,2.4520261252912867,2.4622965542132227,2.4706924841317353,2.4776720251856474,2.4835812064954563,third
+279,13.72,95,3.9817151391731174e+17,2.26,0.8153648132841944,189.8,Ring,Acid,0,0.6507876091272933,0.503442543131752,8.83,5.246297891833619,3.115188507222135,1.8531300059043208,1.1001259571304436,0.654669431288311,0.38875538115324637,0.2312913956922787,0.13741547841779328,0.08174400243878316,0.04858443533600067,4.9,4.9,4.9,4.9,4.9,4.9,4.9,4.9,4.9,4.9,4.9,1.98,5.563702108166382,7.694811492777864,8.956869994095678,9.709874042869556,10.155330568711689,10.421244618846753,10.57870860430772,10.672584521582205,10.728255997561215,10.761415564663997,first
+280,1.58,95,1.5290106464394317e+17,1.78,0.5766133643039938,126.7,Unknown,Enzyme,0,0.28926992319501893,0.25844456744172384,8.63,8.398584061443986,8.16716812288797,7.935752184331956,7.704336245775941,7.472920307219926,7.24150436866391,7.010088430107895,6.7786724915518795,6.547256552995864,6.315840614439849,4.33,4.33,4.33,4.33,4.33,4.33,4.33,4.33,4.33,4.33,4.33,1.91,2.141415938556015,2.3728318771120307,2.6042478156680455,2.8356637542240604,3.0670796927800756,3.298495631336091,3.5299115698921066,3.761327508448122,3.9927434470041367,4.224159385560153,zero
+270,9.94,94,3.400577420485693e+16,4.32,1.463255402256019,176.2,Branched,Acid,0,0.02215657747355003,0.016438168668147547,7.43,2.8403482288555857,2.0849423038186177,1.7261631162087552,1.5040262554495487,1.351833169444517,1.2366006820901971,1.147157747172545,1.075333376079109,1.014951991469182,0.9635430130974756,0.62,0.62,0.62,0.62,0.62,0.62,0.62,0.62,0.62,0.62,0.62,3.01,4.539883923714804,4.791685898727126,4.911278961263747,4.9853245815168155,5.0360556101851595,5.074466439303267,5.104280750942484,5.1282222079736295,5.148349336176938,5.16548566230084,third
+270,8.64,92,8.33874390846328e+16,0.56,-0.579818495252942,140.0,Unknown,None,1,0.13243045744570606,0.09171345088476024,2.25,1.6746962389806699,1.4173827390921883,1.285983304036756,1.2149458644761642,1.1759189788287692,1.1534133624692475,1.1411736146761031,1.133574009443625,1.129404605312991,1.1271950017114707,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,1.26,1.547651880509665,1.6763086304539059,1.742008347981622,1.777527067761918,1.7970405105856155,1.8082933187653762,1.8144131926619484,1.8182129952781874,1.8202976973435046,1.8214024991442648,second
+277,9.52,97,1.4059204743196149e+17,2.85,1.0473189942805592,87.5,Linear,Enzyme,0,0.07173770522117923,0.04521830567689823,3.11,2.93654155234226,2.772757722545527,2.618107739649604,2.4720765341416624,2.334190278893431,2.20399961967407,2.081076205369254,1.965012687981171,1.8554227226285218,1.7519409675465218,2.67,2.67,2.67,2.67,2.67,2.67,2.67,2.67,2.67,2.67,2.67,0.49,0.49,0.49,0.49,0.49,0.49,0.49,0.49,0.49,0.49,0.49,first
+271,2.4,97,4.994678385608151e+17,2.57,0.9439058989071284,46.3,Unknown,None,0,0.10029992340017205,0.08900807952137454,8.35,7.7061721551608455,7.1119802227240765,6.563443571135689,6.0571370692020245,5.5899460879687535,5.15891923909766,4.761268374866638,4.394368588169692,4.0557582125169365,3.7431388220346,2.46,2.46,2.46,2.46,2.46,2.46,2.46,2.46,2.46,2.46,2.46,1.91,2.5538278448391534,3.148019777275922,3.6965564288643096,4.202862930797974,4.670053912031245,5.10108076090234,5.498731625133361,5.865631411830307,6.2042417874830615,6.516861177965399,first
+275,2.99,96,3.802906135376848e+17,4.49,1.501852701754163,181.1,Unknown,Base,1,0.22121728506610636,0.1437872463457024,4.54,2.853831827660386,2.2972054063349754,2.0646485037562488,1.958034108933229,1.906211787177773,1.8814590845233938,1.868738186069085,1.8629648123144682,1.8597257202199595,1.8581904127327205,4.12,2.433831827660386,1.8772054063349757,1.644648503756249,1.538034108933229,1.4862117871777731,1.461459084523394,1.448738186069085,1.4429648123144683,1.4397257202199596,1.4381904127327205,1.42,3.106168172339614,3.6627945936650246,3.895351496243751,4.001965891066771,4.0537882128222265,4.078540915476607,4.091261813930915,4.097035187685532,4.100274279780041,4.1018095872672795,second
+278,5.06,97,3.415191774383362e+17,4.45,1.4929040961781488,35.0,Linear,None,1,0.20276880826374158,0.11638793215795265,1.44,1.2139064523108094,1.1916489565079065,1.1889964988540278,1.1884847282458015,1.1877012573865713,1.1892877183518162,1.187586741977248,1.1889423052923056,1.1887642957521758,1.1888486827437696,0.98,0.98,0.98,0.98,0.98,0.98,0.98,0.98,0.98,0.98,0.98,2.84,2.9153645158963966,2.922783681164031,2.9236678337153235,2.9238384239180655,2.9240995808711423,2.923570760549394,2.92413775267425,2.9236858982358975,2.923745234749274,2.9237171057520763,third
+271,12.3,92,4.645045214312995e+16,1.39,0.3293037471426003,187.7,Linear,Enzyme,0,0.08581368887350203,0.06317366229745296,7.44,6.946374579786995,6.485500208334728,6.0551734267876745,5.653357783466136,5.278217472594454,4.9280096066335854,4.601082376123746,4.295875049684412,4.010917974014321,3.7448325738914656,0.68,0.68,0.68,0.68,0.68,0.68,0.68,0.68,0.68,0.68,0.68,4.15,4.643625420213006,5.104499791665273,5.534826573212325,5.936642216533864,6.311782527405546,6.661990393366414,6.988917623876254,7.294124950315588,7.579082025985679,7.845167426108534,first
+278,13.25,90,7.113450397869041e+16,3.73,1.3164082336557241,40.2,Unknown,None,1,0.8729202802236792,0.4952823235038596,1.06,1.198388138385473,1.1997731405073877,1.2001959446516661,1.1984173435424714,1.1993625335095608,1.1991421160809979,1.1999358699054994,1.1998434994308493,1.1991693535995622,1.1993793473280066,0.92,0.9891940691927366,0.9898865702536939,0.9900979723258331,0.9892086717712357,0.9896812667547804,0.9895710580404989,0.9899679349527497,0.9899217497154247,0.9895846767997811,0.9896896736640033,2.58,2.510805930807263,2.5101134297463057,2.509902027674167,2.510791328228764,2.510318733245219,2.5104289419595007,2.5100320650472496,2.5100782502845744,2.510415323200218,2.510310326335996,third
+272,9.68,91,4.783789234784245e+17,3.61,1.2837077723447896,93.3,Linear,Enzyme,0,1.5980161445797787,0.9486182552752391,4.02,2.7415870843361763,1.4631741686723532,0.18476125300852986,-1.0936516626552928,-2.372064578319116,-3.650477493982943,-4.928890409646765,-6.207303325310592,-7.485716240974417,-8.764129156638244,2.35,2.35,2.35,2.35,2.35,2.35,2.35,2.35,2.35,2.35,2.35,2.63,3.908412915663823,5.1868258313276465,6.46523874699147,7.743651662655292,9.022064578319116,10.300477493982942,11.578890409646764,12.857303325310593,14.135716240974418,15.414129156638243,zero
+271,5.29,100,6.100098753711828e+16,3.92,1.366091653802371,95.8,Linear,None,1,0.003234936847278092,0.002463769661585821,2.72,2.5874822839869656,2.474387281355444,2.3764835810412057,2.290544965207315,2.2147737136367973,2.1476891421390576,2.0879334179698916,2.034271559831488,1.9855914378724258,1.9409037736876749,4.3,4.3,4.3,4.3,4.3,4.3,4.3,4.3,4.3,4.3,4.3,2.07,2.1141725720043447,2.151870906214852,2.184505472986265,2.213151678264228,2.2384087621210678,2.2607702859536474,2.280688860676703,2.298576146722837,2.314802854042525,2.3296987421041084,third
+273,1.6,95,1.526301764124811e+17,2.75,1.0116009116784799,40.8,Branched,Acid,1,0.10141321015161221,0.06110007384198778,1.47,1.3239535246279797,1.2173580475031918,1.1378009977461314,1.078131120495167,1.0333108876065542,0.9987400327032113,0.9716855395507094,0.950838380167434,0.9348104578510421,0.9223087426646899,2.08,1.9339535246279795,1.8273580475031916,1.7478009977461313,1.6881311204951668,1.643310887606554,1.6087400327032113,1.5816855395507092,1.560838380167434,1.544810457851042,1.5323087426646897,1.57,1.7160464753720204,1.8226419524968083,1.9021990022538686,1.9618688795048331,2.006689112393446,2.0412599672967886,2.0683144604492907,2.089161619832566,2.105189542148958,2.11769125733531,second
+274,3.92,98,4.741011294300746e+17,4.98,1.6054298910365616,121.2,Linear,Acid,0,0.09834080285323442,0.0697109774651284,5.3,4.9812155508569385,4.777184791466634,4.641831443878429,4.550732359721852,4.487597704634051,4.443991364579923,4.4134508623066955,4.391919857609013,4.376835984909698,4.3661252401957205,0.96,0.6412155508569384,0.4371847914666332,0.30183144387842853,0.21073235972185173,0.1475977046340502,0.10399136457992286,0.07345086230669506,0.051919857609012146,0.03683598490969727,0.026125240195720545,4.66,4.9787844491430615,5.182815208533366,5.318168556121571,5.409267640278148,5.472402295365949,5.516008635420077,5.5465491376933045,5.568080142390987,5.583164015090302,5.5938747598042795,second
+275,12.07,91,7.138888886360487e+16,2.27,0.8197798314933114,147.4,Ring,Acid,0,0.36990406408231036,0.3310338440375771,5.03,4.734076748734152,4.438153497468304,4.142230246202456,3.846306994936608,3.5503837436707593,3.2544604924049105,2.958537241139062,2.662613989873213,2.3666907386073643,2.0707674873415147,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,2.79,3.0859232512658483,3.3818465025316975,3.677769753797545,3.973693005063393,4.2696162563292415,4.565539507595091,4.86146275886094,5.157386010126788,5.453309261392636,5.7492325126584864,zero
+274,11.02,98,2.7805892366855107e+17,2.11,0.7466879474879751,106.4,Branched,Enzyme,0,0.05767659281247208,0.03169399701202519,8.37,7.8133291191738765,7.447947999062506,7.199046811517968,7.0268637749123215,6.903959958781231,6.816171149533664,6.752956703237271,6.706701019065857,6.673098275155001,6.6485662357922015,1.79,1.2333291191738769,0.8679479990625067,0.6190468115179687,0.446863774912322,0.32395995878123157,0.23617114953366505,0.1729567032372724,0.1267010190658585,0.09309827515500285,0.06856623579220249,4.54,5.096670880826124,5.462052000937494,5.710953188482032,5.883136225087679,6.006040041218769,6.093828850466336,6.157043296762729,6.203298980934143,6.236901724844999,6.261433764207799,second
+276,6.32,99,2.1714457828419434e+17,1.14,0.131028262406404,43.3,Ring,Base,1,0.03978634323320292,0.025619767832658187,6.58,3.339467042811839,2.6085368592830576,2.2837481480966595,2.109112012764059,2.00568800608286,1.9427226256027075,1.9027168402597758,1.8764607218466902,1.8601119937689004,1.8492316690696797,3.6,1.9797335214059193,1.6142684296415286,1.4518740740483296,1.3645560063820292,1.31284400304143,1.2813613128013537,1.2613584201298877,1.248230360923345,1.24005599688445,1.2346158345348397,3.97,5.5902664785940805,5.955731570358471,6.118125925951669,6.205443993617969,6.257155996958569,6.288638687198645,6.308641579870112,6.3217696390766545,6.32994400311555,6.335384165465159,third
+276,5.92,94,4.031773289792206e+17,2.86,1.0508216248317612,49.6,Unknown,None,1,0.6528223660382199,0.41180160992638387,9.82,6.906417006372993,6.872806439071826,6.87225060818967,6.872519087260989,6.872575289233681,6.87200007976043,6.871688152619992,6.872209974369854,6.87271070969718,6.872328178747425,3.39,0.47641700637299356,0.4428064390718275,0.4422506081896722,0.44251908726099104,0.4425752892336829,0.4420000797604323,0.4416881526199943,0.4422099743698556,0.4427107096971816,0.4423281787474269,1.87,4.7835829936270065,4.817193560928174,4.817749391810329,4.81748091273901,4.817424710766319,4.817999920239569,4.8183118473800075,4.817790025630146,4.81728929030282,4.817671821252574,second
+279,5.43,99,3.1196731469742835e+17,2.19,0.7839015438284094,153.9,Branched,Acid,0,0.09090073787181815,0.06943789490419114,3.11,2.143158700533278,1.6400415476979935,1.325433319328676,1.110920539595928,0.9571264962090694,0.8411095815551286,0.7491625144777747,0.6757116904856214,0.6158653978818291,0.5655491682115968,4.38,4.38,4.38,4.38,4.38,4.38,4.38,4.38,4.38,4.38,4.38,1.83,2.313420649733361,2.5649792261510034,2.722283340335662,2.829539730202036,2.9064367518954652,2.964445209222436,3.0104187427611127,3.047144154757189,3.0770673010590857,3.1022254158942015,second
+276,4.2,91,3.6232831954907226e+17,3.78,1.3297240096314962,107.2,Branched,Base,1,2.168650336037684,1.8744458112293523,6.14,2.0776429452282352,2.078717790995456,2.081122524688534,2.0809298594958032,2.0787233143395465,2.0776177582053923,2.0786827563900925,2.081035696917625,2.0807195745592826,2.0794016602391583,1.46,1.46,1.46,1.46,1.46,1.46,1.46,1.46,1.46,1.46,1.46,2.97,5.001178527385883,5.0006411045022725,4.999438737655734,4.999535070252099,5.000638342830228,5.001191120897305,5.000658621804955,4.999482151541188,4.999640212720358,5.00029916988042,second
+279,11.6,98,6.0071049186458776e+16,1.7,0.5306282510621704,79.8,Branched,Base,1,0.02693712396760517,0.014851858008524201,2.26,2.06918967523523,1.9115086557397407,1.7790140503541414,1.6668980365289117,1.5715747868862344,1.4898038116602066,1.4186899586968404,1.3558506062208575,1.3004630755029123,1.251538661632781,2.99,2.99,2.99,2.99,2.99,2.99,2.99,2.99,2.99,2.99,2.99,0.4,0.49540516238238475,0.5742456721301294,0.6404929748229291,0.696550981735544,0.7442126065568826,0.7850980941698965,0.8206550206515796,0.852074696889571,0.8797684622485437,0.9042306691836093,second
+278,3.9,100,9.023378978415523e+16,4.84,1.5769147207285403,189.6,Branched,None,0,0.014630249304477658,0.011216241045530902,1.29,1.2749895964325204,1.2601538535089198,1.2454907388970242,1.2309982436754496,1.2166743822747073,1.2025171932026866,1.1885247372778946,1.1746950974759172,1.1610263789294204,1.1475167089281504,4.42,4.42,4.42,4.42,4.42,4.42,4.42,4.42,4.42,4.42,4.42,1.8,1.8150104035674797,1.8298461464910802,1.8445092611029759,1.8590017563245504,1.8733256177252928,1.8874828067973135,1.9014752627221054,1.915304902524083,1.9289736210705797,1.9424832910718495,first
+280,2.47,96,3.27622988788571e+17,4.56,1.5173226235262947,61.2,Branched,Enzyme,0,0.4033741983694417,0.3299606706562589,2.05,1.4845472727430225,1.0751011312494865,0.7777611381905267,0.5635593216319704,0.40886883124639295,0.29585232768860403,0.2143225885676232,0.15544683004076,0.11256285133456209,0.08152958902003042,3.46,3.46,3.46,3.46,3.46,3.46,3.46,3.46,3.46,3.46,3.46,0.91,0.91,0.91,0.91,0.91,0.91,0.91,0.91,0.91,0.91,0.91,first
+270,10.85,97,3.443309313270736e+17,3.51,1.2556160374777743,198.5,Branched,None,1,0.05895493914395098,0.04943501390688089,2.38,1.3557736897900317,1.0507318855804315,0.9204338039566823,0.8570771500716122,0.8236262761247671,0.8063742670336189,0.7964951592749616,0.7914109178884953,0.7886239916529648,0.7869618457190605,4.36,3.847886844895016,3.695365942790216,3.6302169019783412,3.598538575035806,3.5818131380623837,3.5731871335168095,3.568247579637481,3.565705458944248,3.5643119958264826,3.5634809228595303,1.82,2.332113155104984,2.484634057209784,2.5497830980216585,2.5814614249641936,2.598186861937616,2.60681286648319,2.6117524203625186,2.614294541055752,2.615688004173517,2.6165190771404694,third
+272,4.24,97,1.3467487820052965e+17,0.73,-0.31471074483970024,78.7,Linear,None,1,0.03168249649625099,0.026654107928703073,2.76,2.0211715786064164,1.7480026929389536,1.6165781750971204,1.5469925153141184,1.5068891403262012,1.4842610534120753,1.4699059580904081,1.4618135082789192,1.457189227707056,1.4539920327681342,2.26,2.26,2.26,2.26,2.26,2.26,2.26,2.26,2.26,2.26,2.26,3.18,3.426276140464528,3.5173324356870155,3.56114060830096,3.5843358282286273,3.5977036198912664,3.605246315529308,3.610031347303197,3.6127288305736935,3.614270257430981,3.615335989077288,third
+280,4.08,93,1.319844627312787e+17,0.99,-0.01005033585350145,49.2,Unknown,Acid,0,0.5895676245246368,0.38921908456755894,7.81,0.9359490579800647,0.4980055154204062,0.339280469116685,0.2573936643256057,0.20707002461831336,0.17350355194372688,0.1490933038261918,0.1307357704086191,0.11653454110628655,0.10502267648524241,4.46,4.46,4.46,4.46,4.46,4.46,4.46,4.46,4.46,4.46,4.46,2.53,5.967025471009967,6.185997242289797,6.265359765441657,6.306303167837196,6.331464987690843,6.348248224028136,6.360453348086904,6.3696321147956905,6.376732729446856,6.382488661757378,second
+277,1.88,90,1.1698935268685293e+17,1.43,0.3576744442718159,73.3,Unknown,Base,0,1.2473539041094306,1.0147731110537805,5.59,2.037141518749906,1.8438471647261863,1.8154870748103478,1.8109016106660634,1.8101486152272248,1.8100243714483297,1.810003912678401,1.8100005982060612,1.8100002784177693,1.810000058354266,3.78,0.22714151874990568,0.033847164726186305,0.0054870748103479266,0.0009016106660636905,0.0001486152272251714,2.4371448330059425e-05,3.912678401675018e-06,5.982060616615248e-07,2.7841776983373636e-07,5.835426649263008e-08,2.63,6.182858481250094,6.376152835273814,6.4045129251896515,6.409098389333936,6.409851384772774,6.40997562855167,6.4099960873215975,6.409999401793938,6.4099997215822295,6.409999941645733,second
+273,1.25,97,3.169434919384469e+17,2.0,0.6931471805599453,118.8,Branched,Enzyme,0,0.08724705695430511,0.07739838628267245,2.41,2.043008975556325,1.7705848018038797,1.5597371810126723,1.3932902641260574,1.2585946893174644,1.1456771324416972,1.0501042274615815,0.9686402233397423,0.8983573264643667,0.8369172915510839,2.56,2.193008975556325,1.9205848018038796,1.7097371810126722,1.5432902641260573,1.4085946893174643,1.2956771324416971,1.2001042274615814,1.1186402233397423,1.0483573264643666,0.9869172915510838,1.86,2.226991024443675,2.4994151981961203,2.7102628189873275,2.8767097358739426,3.0114053106825356,3.124322867558303,3.2198957725384187,3.3013597766602576,3.371642673535633,3.433082708448916,second
+271,1.41,92,1.964875914405045e+17,0.87,-0.13926206733350766,149.9,Linear,None,1,0.3629959292414129,0.2212088082709302,9.32,3.1600343562507907,3.137730150431207,3.1370565372722723,3.1367858485309656,3.1369787995948997,3.1376139771967937,3.1378659724714852,3.13715423661398,3.1368802722876885,3.137361416470659,3.38,0.30001717812539536,0.2888650752156035,0.2885282686361361,0.28839292426548296,0.28848939979745,0.2888069885983969,0.2889329862357424,0.28857711830698973,0.288440136143844,0.2886807082353292,1.57,4.6499828218746035,4.661134924784395,4.6614717313638625,4.661607075734516,4.661510600202549,4.661193011401601,4.6610670137642565,4.661422881693008,4.661559863856154,4.661319291764668,third
+277,5.99,91,5.6688204959773e+16,1.97,0.6780335427498971,181.0,Branched,Enzyme,0,0.39152233274651205,0.3060116641148237,1.84,1.345206799630135,0.9831525417933087,0.7188374814441761,0.525841978715517,0.38417838804525506,0.2809903946339791,0.2056267418636832,0.15020488578004598,0.10986270463189436,0.08043273966725153,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,0.19,0.6847932003698651,1.0468474582066913,1.311162518555824,1.504158021284483,1.6458216119547449,1.749009605366021,1.8243732581363168,1.879795114219954,1.9201372953681057,1.9495672603327485,first
+276,13.07,100,1.759357874048577e+17,1.03,0.02955880224154443,184.3,Branched,Enzyme,1,0.02084857835925489,0.014259939819981353,9.94,7.51230710951998,6.074418314160606,5.132959274970181,4.4719430498305766,3.9871251833580974,3.6234632785644423,3.338716711373617,3.112858010183182,2.9322357693189764,2.7853633168236254,2.49,2.49,2.49,2.49,2.49,2.49,2.49,2.49,2.49,2.49,2.49,1.93,3.14384644524001,3.862790842919697,4.333520362514909,4.664028475084712,4.906437408320951,5.0882683607177785,5.230641644313192,5.343570994908409,5.433882115340512,5.507318341588188,second
+270,8.87,98,3.0878158393724115e+17,2.87,1.0543120297715298,95.4,Unknown,Acid,0,0.03386311705920247,0.023795696709637187,4.21,3.4278359423630533,2.8917225702528535,2.4988515443664503,2.202777142763882,1.9706897027824555,1.78018178561558,1.623405200497308,1.492958074281781,1.3824135047758017,1.2864586431697516,1.26,1.26,1.26,1.26,1.26,1.26,1.26,1.26,1.26,1.26,1.26,3.64,4.031082028818473,4.299138714873573,4.495574227816775,4.643611428618059,4.759655148608772,4.85490910719221,4.933297399751345,4.998520962859109,5.053793247612099,5.101770678415123,second
+272,8.09,96,7.380491276493656e+16,4.94,1.5973653311998313,107.4,Linear,Base,0,0.027018680073180243,0.022473945567118975,2.07,2.0483850559414556,2.0267701118829113,2.005155167824367,1.983540223765823,1.9619252797072788,1.9403103356487348,1.9186953915901905,1.8970804475316463,1.875465503473102,1.853850559414558,4.11,4.11,4.11,4.11,4.11,4.11,4.11,4.11,4.11,4.11,4.11,4.6,4.621614944058544,4.643229888117088,4.664844832175632,4.686459776234177,4.7080747202927204,4.729689664351265,4.751304608409809,4.772919552468353,4.7945344965268974,4.816149440585441,zero
+274,12.69,93,3.8481657142949574e+17,3.53,1.2612978709452054,129.2,Unknown,None,0,0.7167006746323379,0.5440917891383198,8.65,8.07663946029413,7.50327892058826,6.929918380882389,6.356557841176519,5.783197301470649,5.209836761764778,4.636476222058906,4.063115682353036,3.489755142647163,2.916394602941293,2.69,2.69,2.69,2.69,2.69,2.69,2.69,2.69,2.69,2.69,2.69,2.81,3.3833605397058704,3.9567210794117407,4.530081619117611,5.103442158823482,5.676802698529352,6.250163238235222,6.823523777941094,7.396884317646965,7.970244857352837,8.543605397058707,zero
+273,5.58,96,2.3227005966560644e+16,1.91,0.6471032420585384,124.5,Branched,Base,1,0.00993355652309358,0.005807811576768208,6.65,6.028196927539805,5.517515217769009,5.089765149614694,4.728287199581115,4.42106912614527,4.157212447697967,3.926932442543823,3.7221583499177133,3.5405277999666005,3.379000035862715,4.69,4.69,4.69,4.69,4.69,4.69,4.69,4.69,4.69,4.69,4.69,1.48,1.7909015362300973,2.0462423911154954,2.2601174251926532,2.4408564002094426,2.594465436927365,2.726393776151017,2.8415337787280888,2.9439208250411437,3.0347361000167,3.1154999820686426,second
+277,6.42,97,3.9868181824126496e+17,1.46,0.37843643572024505,133.2,Linear,Acid,0,0.20342913611722338,0.1522834273698548,5.95,5.591984189655541,5.590012437524953,5.589999681429783,5.590001163093449,5.58999975983269,5.590001415394202,5.590000395256068,5.590001137952246,5.5899973617836896,5.590001348428967,0.18,0.0009920948277703328,6.218762475934496e-06,-1.5928510864095913e-07,5.815467241525292e-07,-1.2008365565082457e-07,7.07697100418974e-07,1.976280335988135e-07,5.689761229591322e-07,-1.3191081554353468e-06,6.742144831808397e-07,3.99,4.169007905172231,4.169993781237525,4.17000015928511,4.169999418453278,4.170000120083658,4.169999292302902,4.169999802371969,4.169999431023879,4.170001319108157,4.169999325785518,third
+275,9.72,94,1.6399984062916093e+17,2.28,0.8241754429663494,34.6,Linear,Base,1,0.22879624331414777,0.13087379053278106,5.05,4.627927707874549,4.311490557643085,4.073176441207132,3.8943923804864,3.7621056940367184,3.6635969287748473,3.58813503267249,3.5314372323585848,3.489316637565174,3.4577790032045472,3.24,3.24,3.24,3.24,3.24,3.24,3.24,3.24,3.24,3.24,3.24,4.19,4.612072292125451,4.928509442356916,5.166823558792868,5.3456076195136,5.477894305963282,5.576403071225153,5.65186496732751,5.708562767641415,5.750683362434826,5.782220996795453,first
+273,3.34,99,2.0983156854421245e+17,4.0,1.3862943611198906,33.1,Unknown,Base,0,0.023930655698088277,0.01208991298647152,4.63,2.8072820545696198,2.0995109213835788,1.7065370267512041,1.4492647614595053,1.266461305116985,1.128872598829655,1.0196012414387927,0.9317118127939703,0.8594650151083533,0.7981818305944239,4.25,3.3386410272848095,2.9847554606917894,2.788268513375602,2.6596323807297524,2.568230652558492,2.4994362994148274,2.444800620719396,2.400855906396985,2.3647325075541765,2.3340909152972116,3.57,4.48135897271519,4.83524453930821,5.031731486624397,5.1603676192702475,5.251769347441507,5.320563700585172,5.375199379280604,5.419144093603014,5.455267492445823,5.485909084702788,third
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+275,6.36,98,3.42784977769904e+17,4.53,1.5107219394949427,63.8,Linear,None,1,0.08314252728285632,0.06944513829169902,4.0,3.769938136965376,3.5662834542377104,3.3858340801478306,3.2261190592945668,3.0849126028272833,2.9601274346037,2.8498147911898943,2.752164421860298,2.6655453045341573,2.5888307214857122,1.92,1.92,1.92,1.92,1.92,1.92,1.92,1.92,1.92,1.92,1.92,0.39,0.6200618630346237,0.8237165457622898,1.0041659198521695,1.1638809407054334,1.305087397172717,1.4298725653963,1.5401852088101062,1.6378355781397025,1.7244546954658428,1.801169278514288,first
+280,8.65,90,4.2581239331330784e+17,1.83,0.6043159668533296,130.9,Branched,Base,0,6.900907174708763,5.895147835550055,5.8,0.089546866395263,0.04508438058828228,0.030135146204147693,0.022636876233210416,0.018134601223389175,0.015110841879024797,0.01295747860465709,0.011350595305465961,0.010086426871567765,0.009075838078927008,4.82,4.82,4.82,4.82,4.82,4.82,4.82,4.82,4.82,4.82,4.82,2.7,5.555226566802369,5.57745780970586,5.584932426897927,5.588681561883395,5.590932699388306,5.592444579060488,5.593521260697671,5.594324702347268,5.594956786564217,5.595462080960537,second
+270,8.58,92,3.2812841570872365e+17,0.93,-0.07257069283483537,83.7,Linear,None,1,0.5211120124355648,0.36110142955556923,8.61,6.176798636143597,6.092840078065953,6.088946285309431,6.088615403715016,6.088800352393049,6.089419270620034,6.089318273521488,6.089144630998474,6.088898372536421,6.0888822093246695,3.12,0.6867986361435969,0.6028400780659531,0.5989462853094313,0.5986154037150168,0.5988003523930497,0.5994192706200353,0.5993182735214883,0.5991446309984747,0.5988983725364216,0.5988822093246704,2.74,5.1732013638564025,5.257159921934047,5.2610537146905685,5.261384596284984,5.261199647606951,5.260580729379965,5.260681726478512,5.260855369001526,5.261101627463579,5.26111779067533,second
+275,13.48,93,2.7002062136569264e+16,3.4,1.2237754316221157,36.4,Ring,None,0,0.05833825055320871,0.03862242295385887,4.63,3.234415864532782,2.4941699091946434,2.0247233580403727,1.7027568899262608,1.4698439196616475,1.2943068989731508,1.1545843181538396,1.0422920209545112,0.9504715820179588,0.8734374111222931,2.46,2.46,2.46,2.46,2.46,2.46,2.46,2.46,2.46,2.46,2.46,2.49,3.187792067733609,3.5579150454026784,3.7926383209798136,3.95362155503687,4.070078040169176,4.157846550513424,4.22770784092308,4.283853989522744,4.329764208991021,4.368281294438853,second
+278,5.06,97,2.95032454719499e+17,2.4,0.8754687373538999,139.8,Ring,None,0,0.175168433267267,0.10962518873685229,3.22,2.7989542065112105,2.4329682200054665,2.114396941784438,1.8368882288272161,1.595898763425689,1.3871018562271455,1.2063595992292635,1.0497228657801096,0.9134313105781393,0.7941516477934354,1.64,1.64,1.64,1.64,1.64,1.64,1.64,1.64,1.64,1.64,1.64,2.7,2.7,2.7,2.7,2.7,2.7,2.7,2.7,2.7,2.7,2.7,first
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+274,11.31,94,3.846199151246032e+17,1.28,0.2468600779315258,192.7,Branched,None,1,0.4618187458452652,0.261885991112137,8.68,2.1275734660320156,2.020223460549058,2.0155802056541408,2.0150389863039195,2.0177773290725423,2.0170580057360303,2.016713427325759,2.0165464357136695,2.015602091010714,2.015858286214066,4.02,4.02,4.02,4.02,4.02,4.02,4.02,4.02,4.02,4.02,4.02,3.83,7.106213266983992,7.15988826972547,7.1622098971729296,7.1624805068480395,7.161111335463729,7.1614709971319845,7.16164328633712,7.161726782143165,7.1621989544946425,7.162070856892967,second
+273,8.51,95,1.0678317233069499e+17,4.65,1.536867219599265,118.5,Linear,Acid,0,0.07095074218457793,0.050033247701651344,7.31,6.219911556204016,5.554403082260884,5.116672691743838,4.810820729823967,4.591173635911202,4.428976668149754,4.306086651853795,4.212685952562401,4.140731991612299,4.084387357125175,3.44,2.349911556204016,1.6844030822608844,1.246672691743838,0.9408207298239679,0.7211736359112032,0.5589766681497546,0.4360866518537951,0.34268595256240153,0.2707319916122993,0.21438735712517526,0.92,2.010088443795984,2.6755969177391155,3.113327308256162,3.4191792701760324,3.638826364088797,3.8010233318502453,3.923913348146205,4.017314047437599,4.089268008387701,4.145612642874825,second
+270,5.02,95,2.263093895963979e+17,4.63,1.5325568680981427,87.7,Linear,Acid,0,0.09444608611129625,0.08196955969872126,9.94,1.4724384618001853,1.0465507288699774,0.8559392795904635,0.7425162216304424,0.6639531106815053,0.6065350322005708,0.5618855040990782,0.5255147905262239,0.49544852708083814,0.4700094190113349,3.57,3.57,3.57,3.57,3.57,3.57,3.57,3.57,3.57,3.57,3.57,4.81,7.6325205127332705,7.774483090376673,7.838020240136512,7.875827926123185,7.902015629772831,7.921154989266475,7.936038165300307,7.948161736491258,7.958183824306387,7.966663526996221,third
+277,3.69,99,2.1224178194686813e+17,0.75,-0.2876820724517809,26.0,Branched,None,0,0.04544211864101206,0.03136166307402561,1.4,1.2018608460668097,1.0385318151400114,0.9019395200733942,0.787033805583305,0.6899274313479289,0.6071602003416801,0.5356989588352018,0.47336285878753825,0.4191545506411764,0.3718386032515044,4.3,4.10186084606681,3.9385318151400117,3.8019395200733945,3.6870338055833054,3.5899274313479292,3.5071602003416804,3.4356989588352023,3.3733628587875386,3.319154550641177,3.2718386032515046,0.88,1.0781391539331902,1.2414681848599884,1.3780604799266056,1.4929661944166948,1.590072568652071,1.6728397996583197,1.744301041164798,1.8066371412124616,1.8608454493588233,1.9081613967484954,second
+271,10.21,99,8.614326387486045e+16,0.79,-0.23572233352106983,161.0,Ring,None,1,0.0071204095536496715,0.006308432964765179,7.25,4.395800803902991,3.4752703107365983,2.9984718904927847,2.699968888701168,2.497254353953716,2.349206806600944,2.2399893536103033,2.1559933015912764,2.0891214949052035,2.0359636959199245,0.64,0.64,0.64,0.64,0.64,0.64,0.64,0.64,0.64,0.64,0.64,4.65,5.601399732032337,5.908243229754468,6.067176036502405,6.1666770370996105,6.2342485486820935,6.283597731133018,6.3200035487965645,6.348002232802908,6.370292835031599,6.388012101360024,third
+274,1.75,96,1.8611426088660874e+17,1.55,0.4382549309311553,162.9,Branched,Base,1,0.09288186490219215,0.05352994514461769,2.51,2.146144283102098,1.899429003926499,1.725030054564806,1.5999883861978001,1.5073649623370884,1.4374632825143774,1.3850594639801952,1.3453581236508452,1.3145449175775452,1.290789320929909,2.82,2.456144283102098,2.209429003926499,2.035030054564806,1.9099883861978002,1.8173649623370884,1.7474632825143774,1.6950594639801952,1.6553581236508452,1.6245449175775453,1.600789320929909,1.88,2.2438557168979014,2.4905709960735005,2.664969945435194,2.7900116138021995,2.882635037662911,2.9525367174856223,3.0049405360198045,3.0446418763491545,3.0754550824224545,3.099210679070091,second
+277,13.95,91,1.8854012349707216e+17,2.88,1.0577902941478545,85.1,Branched,Acid,1,1.3021698079921837,0.8424254006273779,2.02,1.3711415282006307,1.3714222420057247,1.37124091879305,1.3717693883262894,1.3710210104056257,1.3720921797108423,1.3708357239887983,1.3723809562138625,1.370687010750969,1.3726331790658157,3.62,3.62,3.62,3.62,3.62,3.62,3.62,3.62,3.62,3.62,3.62,3.77,3.986286157266456,3.9861925859980913,3.9862530270689827,3.986076870557902,3.9863263298647893,3.9859692734297165,3.9863880920037316,3.9858730145953767,3.9864376630830076,3.9857889403113917,third
+280,11.35,92,3.420939540801957e+16,1.23,0.20701416938432612,175.4,Unknown,None,0,0.23480927095273163,0.175623540321348,2.52,0.6781721791450265,0.4113604836445577,0.29821832992425046,0.23494820350370177,0.1938632242681833,0.1654571022677978,0.1442545185144177,0.12789838686488064,0.1150346029195401,0.10452566233485734,3.55,2.629086089572513,2.4956802418222783,2.4391091649621246,2.40747410175185,2.3869316121340907,2.372728551133898,2.3621272592572082,2.3539491934324395,2.3475173014597694,2.342262831167428,4.86,5.780913910427488,5.914319758177722,5.970890835037876,6.00252589824815,6.0230683878659095,6.037271448866102,6.047872740742793,6.056050806567561,6.062482698540232,6.067737168832573,third
+280,9.34,100,6.497693937174455e+16,1.54,0.43178241642553783,62.6,Branched,None,1,0.014350165319721435,0.01077115625042893,7.59,7.536750170094535,7.484559823551738,7.433407880775121,7.383273673148262,7.3341369448641585,7.285977872762704,7.238777011675344,7.192515290778298,7.147174013592558,7.102734857983893,4.26,4.26,4.26,4.26,4.26,4.26,4.26,4.26,4.26,4.26,4.26,3.87,3.923249829905465,3.9754401764482616,4.026592119224879,4.0767263268517375,4.1258630551358415,4.174022127237296,4.221222988324656,4.267484709221702,4.312825986407442,4.357265142016107,first
+276,1.66,100,3.9125767772376934e+17,2.49,0.9122827104766164,117.1,Ring,Base,0,0.0463644519003578,0.03626006477769713,7.19,4.694316963807885,3.4830531592273055,2.7676436772948283,2.2990469456103764,1.9640486825048202,1.7146778405296725,1.523022706385281,1.3685942063852465,1.2424808734892112,1.1376587118511252,0.65,0.65,0.65,0.65,0.65,0.65,0.65,0.65,0.65,0.65,0.65,0.81,2.0578415180960574,2.663473420386347,3.021178161352586,3.2554765271948116,3.4229756587475895,3.5476610797351635,3.6434886468073593,3.7207028968073765,3.7837595632553946,3.8361706440744374,second
+271,11.39,96,1.6486046544297216e+17,1.54,0.43178241642553783,38.4,Unknown,None,0,0.051601735098578884,0.04292042338770252,5.99,5.948718611921137,5.907437223842274,5.866155835763411,5.8248744476845475,5.783593059605685,5.742311671526822,5.701030283447958,5.659748895369095,5.618467507290232,5.577186119211369,1.18,1.18,1.18,1.18,1.18,1.18,1.18,1.18,1.18,1.18,1.18,1.66,1.701281388078863,1.7425627761577263,1.7838441642365894,1.8251255523154526,1.8664069403943155,1.9076883284731787,1.9489697165520419,1.990251104630905,2.031532492709768,2.0728138807886314,zero
+278,5.48,95,2.4144466838868486e+17,2.09,0.7371640659767196,41.4,Ring,Acid,1,0.3405697119502679,0.23288028336886948,2.69,1.6635318909863615,1.447077019028008,1.39318187587156,1.3790112172964544,1.3754555565959987,1.3746988190759035,1.3740940120069458,1.3743056298949419,1.374330607392498,1.3742174392335949,4.18,3.153531890986361,2.9370770190280076,2.8831818758715597,2.869011217296454,2.865455556595998,2.864698819075903,2.8640940120069454,2.8643056298949414,2.8643306073924975,2.8642174392335944,4.44,5.46646810901364,5.682922980971992,5.73681812412844,5.750988782703546,5.754544443404002,5.755301180924096,5.755905987993054,5.755694370105058,5.755669392607501,5.755782560766405,second
+272,1.99,99,4.532137329585995e+17,4.4,1.4816045409242156,82.5,Linear,Enzyme,1,0.04402950044392979,0.02877036061233806,1.31,1.3837721724308167,1.4226457534525447,1.442575285089925,1.452714741856595,1.4575615636147905,1.4604354675728166,1.4613621943524602,1.461853555762695,1.4622825319609898,1.4624719490726057,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,4.84,4.815409275856394,4.802451415515818,4.795808238303358,4.792428419381134,4.790812812128402,4.789854844142393,4.789545935215846,4.789382148079101,4.789239156013003,4.789176016975797,third
+274,4.8,93,2.890341206571816e+17,4.43,1.4883995840570443,175.4,Ring,Enzyme,1,0.538310885358324,0.44815805562790456,8.54,1.771068081598824,1.7646461492355296,1.7663029118691067,1.764692499961599,1.764156152931916,1.7659536336870412,1.7640877933868575,1.7653737621603511,1.7641812148574774,1.7656020049888164,4.59,1.2055340407994122,1.202323074617765,1.2031514559345537,1.2023462499808,1.2020780764659584,1.2029768168435213,1.2020438966934295,1.2026868810801765,1.2020906074287396,1.2028010024944091,1.11,4.494465959200587,4.497676925382234,4.496848544065445,4.497653750019199,4.49792192353404,4.497023183156478,4.49795610330657,4.497313118919823,4.49790939257126,4.497198997505589,third
+271,6.82,90,4.991027663397006e+17,3.05,1.1151415906193203,109.8,Branched,Base,0,2.240092870642048,1.480716388539313,4.47,0.1761993038326117,0.09566878057778361,0.06603598993511474,0.05051245291733153,0.040909240460310886,0.034423552151067294,0.029711454850571882,0.02611955672010913,0.023333153779435165,0.02108584743484182,3.51,1.363099651916306,1.3228343902888922,1.3080179949675579,1.3002562264586663,1.2954546202301558,1.292211776075534,1.2898557274252864,1.2880597783600551,1.286666576889718,1.2855429237174214,1.27,3.416900348083694,3.457165609711108,3.471982005032443,3.4797437735413346,3.4845453797698447,3.4877882239244666,3.4901442725747143,3.4919402216399456,3.4933334231102826,3.4944570762825795,third
+275,2.65,92,2.8373379138508563e+17,1.17,0.1570037488096647,54.7,Ring,Acid,1,0.9493329089414152,0.6458128085475587,2.36,0.9194393503420614,0.8848527532846705,0.8839675077229602,0.8841603386814176,0.8845966630957398,0.8846143910763528,0.884626223305184,0.8847439648293297,0.8848569367305674,0.8846783345900715,4.46,3.019439350342062,2.984852753284671,2.9839675077229604,2.9841603386814177,2.9845966630957403,2.984614391076353,2.9846262233051846,2.98474396482933,2.984856936730568,2.9846783345900723,2.4,3.8405606496579385,3.875147246715329,3.87603249227704,3.8758396613185826,3.87540333690426,3.875385608923647,3.8753737766948158,3.87525603517067,3.8751430632694324,3.875321665409928,second
+279,12.88,92,3.780182907233418e+17,2.11,0.7466879474879751,82.7,Linear,None,0,2.2519823608941785,1.1810775793523762,1.18,-0.6215858887153441,-2.423171777430687,-4.22475766614603,-6.0263435548613735,-7.827929443576718,-9.629515332292062,-11.431101221007404,-13.232687109722754,-15.034272998438095,-16.835858887153442,2.05,2.05,2.05,2.05,2.05,2.05,2.05,2.05,2.05,2.05,2.05,1.42,3.221585888715344,5.0231717774306865,6.824757666146031,8.626343554861375,10.427929443576717,12.229515332292063,14.031101221007404,15.832687109722755,17.634272998438096,19.435858887153444,zero
+280,1.21,90,2.3330858007436304e+17,3.56,1.269760544863939,66.5,Ring,Enzyme,1,3.781103789930408,2.969146849834781,6.6,1.934430979503779,1.9328078371026354,1.9309800220707432,1.9321055533105478,1.9335797588780237,1.9330452686437523,1.9311777869416125,1.9310635517431087,1.9348855839912498,1.9326803628830869,0.8,0.8,0.8,0.8,0.8,0.8,0.8,0.8,0.8,0.8,0.8,2.42,4.7527845102481105,4.7535960814486815,4.754509988964626,4.753947223344724,4.753210120560987,4.753477365678123,4.754411106529193,4.754468224128443,4.752557208004371,4.753659818558453,second
+270,10.32,97,3.174436916741361e+17,1.6,0.47000362924573563,72.1,Branched,None,1,0.05435141551806428,0.0471925909935616,9.26,3.726581387845019,3.0312504601402357,2.771191098373265,2.6510128023593382,2.591520887108009,2.560595316329646,2.5443459040628023,2.535362044430149,2.531110850873248,2.5284506474095885,4.06,1.2932906939225095,0.9456252300701177,0.8155955491866322,0.7555064011796687,0.7257604435540038,0.7102976581648226,0.7021729520314006,0.697681022215074,0.6955554254366235,0.6942253237047937,1.72,4.48670930607749,4.834374769929882,4.964404450813367,5.024493598820331,5.054239556445996,5.069702341835177,5.077827047968599,5.082318977784926,5.084444574563376,5.085774676295205,third
+278,7.63,97,1.341687872695405e+17,4.75,1.55814461804655,185.0,Unknown,None,0,0.07965949468752248,0.06010851215862962,2.43,2.279973081832446,2.1392088389867165,2.0071333895110617,1.883202931645808,1.766924370959162,1.6578318754133108,1.5554829995091088,1.4594586842860762,1.3693632573224002,1.2848244327349332,1.14,1.14,1.14,1.14,1.14,1.14,1.14,1.14,1.14,1.14,1.14,0.67,0.67,0.67,0.67,0.67,0.67,0.67,0.67,0.67,0.67,0.67,first
+277,13.53,96,3.5623610124086285e+17,4.37,1.4747630091074988,192.8,Unknown,Acid,0,0.280610664352263,0.1987010333387612,7.97,6.367391563835387,5.087107134309759,4.061666807206988,3.242796291526164,2.59220802928924,2.0744246582476826,1.6579499407870164,1.3243081386417925,1.0582027562489777,0.8456911540220062,1.21,1.21,1.21,1.21,1.21,1.21,1.21,1.21,1.21,1.21,1.21,4.35,4.35,4.35,4.35,4.35,4.35,4.35,4.35,4.35,4.35,4.35,first
+272,10.4,93,3.3708331444231536e+16,1.6,0.47000362924573563,98.8,Unknown,Base,0,0.04650014144061578,0.03383844062380642,8.19,8.06479583419638,7.973310759553167,7.905812925118273,7.856142737281981,7.819398543758576,7.791783973204938,7.7712213547423,7.755934030408106,7.744439575105695,7.7358239283677905,0.48,0.35479583419637917,0.2633107595531668,0.19581292511827203,0.1461427372819811,0.10939854375857547,0.08178397320493812,0.061221354742300345,0.04593403040810636,0.03443957510569538,0.02582392836779073,2.09,2.2152041658036206,2.306689240446833,2.374187074881728,2.423857262718019,2.4606014562414247,2.4882160267950617,2.5087786452576997,2.5240659695918937,2.535560424894305,2.5441760716322093,second
+276,1.45,91,1.4666241705843834e+17,0.71,-0.342490308946776,88.1,Linear,None,1,0.8778212545840061,0.5586749700823396,8.89,2.040657995342441,2.035625927218019,2.0342843635467265,2.033961705231998,2.036992903115696,2.0355810910912155,2.037771564621427,2.0360576538712936,2.0339789356659526,2.0361179726015375,2.67,2.67,2.67,2.67,2.67,2.67,2.67,2.67,2.67,2.67,2.67,3.08,6.504671002328782,6.5071870363909925,6.507857818226639,6.508019147384003,6.506503548442153,6.507209454454395,6.506114217689288,6.506971173064355,6.508010532167026,6.506941013699233,second
+277,8.03,92,4.452059607491225e+17,2.93,1.075002423028976,33.3,Branched,Enzyme,0,1.99179797476459,1.5482013209027845,6.51,1.8595886535650852,1.7844930128641583,1.7802638413711969,1.7800153953969478,1.780001077792324,1.7800000442716377,1.7800002927305385,1.7800000458729472,1.7799997136379533,1.780000224775351,4.73,0.07958865356508546,0.004493012864158527,0.00026384137119700706,1.5395396947764705e-05,1.0777923242623178e-06,4.4271637752287145e-08,2.927305386552545e-07,4.5872947287247265e-08,-2.8636204670947447e-07,2.2477535111340924e-07,0.47,5.120411346434914,5.195506987135842,5.199736158628804,5.1999846046030544,5.199998922207677,5.199999955728363,5.199999707269462,5.199999954127053,5.200000286362048,5.19999977522465,second
+276,3.73,91,4.8160790284479264e+17,1.11,0.10436001532424286,54.7,Linear,Enzyme,0,2.882576613505115,2.5458360671936413,2.49,0.24863369364288496,0.024807849700067258,0.0024811769196533815,0.00024808882004558416,2.5035216279326215e-05,2.396584190793139e-06,1.3340913936583636e-07,-7.715798939090861e-08,3.604029790583966e-07,7.978515416640793e-08,1.02,1.02,1.02,1.02,1.02,1.02,1.02,1.02,1.02,1.02,1.02,4.27,6.511366306357115,6.735192150299934,6.757518823080348,6.759751911179955,6.759974964783721,6.759997603415809,6.759999866590861,6.760000077157989,6.75999963959702,6.759999920214846,first
+272,6.38,90,4.3887661562990234e+17,2.78,1.0224509277025455,186.7,Branched,Base,0,2.2813799492541573,1.1716984332834062,1.61,0.25975358560210904,0.04194464092723786,0.0067760371502340894,0.0010951651558359261,0.00017724572429023253,2.8452081234743045e-05,4.523497648519839e-06,6.361300850769831e-07,1.8691082823841601e-07,9.789398166505308e-08,0.48,0.48,0.48,0.48,0.48,0.48,0.48,0.48,0.48,0.48,0.48,2.78,2.78,2.78,2.78,2.78,2.78,2.78,2.78,2.78,2.78,2.78,first
+273,5.16,90,1.3455467276974693e+17,3.28,1.1878434223960523,178.2,Linear,Enzyme,1,0.8092185863762429,0.5006066091918022,8.94,1.86938054966706,1.8549709598931723,1.8564062632926783,1.8539593456459675,1.8567403824498196,1.8549455891822348,1.8545389012519422,1.8563814109957113,1.854005729820818,1.85635688547416,4.69,4.69,4.69,4.69,4.69,4.69,4.69,4.69,4.69,4.69,4.69,2.02,5.555309725166469,5.562514520053414,5.56179686835366,5.563020327177016,5.56162980877509,5.562527205408882,5.562730549374029,5.561809294502144,5.56299713508959,5.5618215572629195,second
+274,13.57,99,3.09010818370969e+17,3.97,1.3787660946990992,131.9,Unknown,Enzyme,0,0.04132303263862561,0.028062000696867626,5.04,3.779598882764239,3.029893923122801,2.5241443525042664,2.165957902144803,1.893975777028836,1.683690647274981,1.5168477005813004,1.379048765392474,1.2638211138505153,1.1663687916514327,1.56,1.56,1.56,1.56,1.56,1.56,1.56,1.56,1.56,1.56,1.56,4.78,5.4102005586178805,5.785053038438599,6.037927823747867,6.217021048927599,6.353012111485581,6.458154676362509,6.541576149709349,6.610475617303762,6.6680894430747415,6.716815604174283,second
+271,3.04,96,5.308200864809861e+16,0.61,-0.4942963218147801,83.0,Linear,Base,1,0.01661480053085962,0.011651280216075744,1.54,1.469038080573676,1.4071641160329156,1.3526440919790848,1.304228031655198,1.2611290977224803,1.222628401100406,1.1880675230171338,1.1568485150095067,1.128433898923053,1.102346666911985,1.3,1.264519040286838,1.2335820580164578,1.2063220459895423,1.182114015827599,1.1605645488612402,1.141314200550203,1.124033761508567,1.1084242575047534,1.0942169494615266,1.0811733334559925,0.31,0.34548095971316195,0.37641794198354217,0.40367795401045753,0.427885984172401,0.4494354511387597,0.4686857994497969,0.48596623849143306,0.5015757424952465,0.5157830505384734,0.5288266665440073,third
+280,8.47,94,1.4482699977849366e+17,4.73,1.5539252025038417,178.3,Ring,Enzyme,0,0.42101864415731877,0.22744116976161577,7.81,1.251951352016126,0.6797897615700282,0.466778856462673,0.35570568428259386,0.2869846612829374,0.24081196736390853,0.2071292813091882,0.18196250933186248,0.16221968458709068,0.14623931594553,0.47,0.47,0.47,0.47,0.47,0.47,0.47,0.47,0.47,0.47,0.47,4.97,8.249024323991938,8.535105119214988,8.641610571768664,8.697147157858705,8.731507669358534,8.754594016318048,8.771435359345407,8.78401874533407,8.793890157706457,8.801880342027237,second
+276,4.51,91,1.4124498841065658e+17,0.76,-0.2744368457017603,96.3,Unknown,Enzyme,0,0.8453962195437049,0.5348478719956895,8.71,4.428173616033144,2.251054319412493,1.1460426762372153,0.5832610770203634,0.2964330619010944,0.1509316105964113,0.07686648119523751,0.0390623586019929,0.019879353172070943,0.010127472320054665,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,4.7,8.981826383966856,11.158945680587507,12.263957323762785,12.826738922979636,13.113566938098906,13.25906838940359,13.333133518804763,13.370937641398008,13.39012064682793,13.399872527679946,first
+273,10.19,90,4.3311144003336544e+17,2.25,0.8109302162163288,117.2,Ring,Acid,1,2.6047540381368357,2.0570522293571596,1.13,1.7583286088757448,1.7735791842613462,1.7735337461760692,1.7731826161638,1.7727624386280818,1.7735992624568582,1.7737705554301972,1.7742956449766103,1.7746481327380426,1.773279705630206,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,2.89,2.261671391124255,2.246420815738653,2.24646625382393,2.2468173838361993,2.247237561371917,2.246400737543141,2.246229444569802,2.245704355023389,2.245351867261957,2.2467202943697933,first
+273,6.79,91,2.733360736790666e+17,4.03,1.3937663759585917,133.5,Branched,None,1,1.0580871214454857,0.6361175436301868,6.41,1.1072908043188008,1.1055466941526209,1.1048891153349538,1.1054084436659681,1.10534737104264,1.105032902936724,1.1056576672050926,1.105313032367049,1.1055067582291855,1.1064083624024152,4.0,1.3486454021594003,1.3477733470763105,1.347444557667477,1.347704221832984,1.34767368552132,1.3475164514683617,1.3478288336025461,1.3476565161835241,1.3477533791145924,1.348204181201207,0.09,2.741354597840599,2.742226652923689,2.742555442332523,2.7422957781670156,2.7423263144786802,2.7424835485316383,2.7421711663974544,2.7423434838164757,2.7422466208854073,2.7417958187987925,third
+277,3.95,100,2.8797369944481248e+17,4.75,1.55814461804655,151.9,Branched,None,1,0.03993935024402243,0.028926000095127125,2.85,1.7949538839258845,1.4316101735087599,1.2647829787186042,1.1772049432818577,1.1299819144418086,1.1023546513752844,1.0871035093780903,1.0779255490242965,1.0724899111254913,1.0694299613434053,4.35,3.8224769419629423,3.6408050867543795,3.557391489359302,3.5136024716409286,3.489990957220904,3.476177325687642,3.468551754689045,3.463962774512148,3.4612449555627456,3.459714980671703,4.52,5.047523058037057,5.22919491324562,5.312608510640698,5.356397528359071,5.380009042779094,5.393822674312356,5.401448245310954,5.40603722548785,5.408755044437253,5.410285019328296,third
+272,13.53,94,4.2342616912645824e+17,1.73,0.5481214085096876,100.8,Linear,Base,0,0.3753605787945746,0.30327864424896317,6.8,5.229551374502488,4.964330271210661,4.906945363872125,4.893899840362749,4.890898596377136,4.890207155484058,4.890048074419074,4.890011280594737,4.890002634568091,4.89000066868312,1.91,0.3395513745024875,0.07433027121066078,0.016945363872124412,0.0038998403627488005,0.0008985963771355296,0.00020715548405740247,4.807441907335356e-05,1.1280594736092507e-05,2.6345680909339405e-06,6.686831191859431e-07,2.11,3.680448625497512,3.9456697287893387,4.0030546361278745,4.01610015963725,4.019101403622863,4.019792844515941,4.0199519255809255,4.019988719405262,4.019997365431908,4.019999331316879,second
+270,11.92,92,3.4602625551471776e+17,4.25,1.4469189829363254,101.8,Linear,Acid,1,0.5495361868533948,0.40979458994788515,9.22,6.4054684784730185,6.333209735510124,6.330783029684698,6.330771994777054,6.330799924006413,6.330722109774081,6.330807905770183,6.330851596918834,6.33062990607323,6.3307806453182645,3.43,0.6154684784730183,0.5432097355101241,0.5407830296846988,0.540771994777055,0.5407999240064131,0.5407221097740812,0.5408079057701838,0.5408515969188354,0.5406299060732302,0.5407806453182651,1.7,4.5145315215269815,4.586790264489876,4.589216970315302,4.589228005222946,4.589200075993587,4.589277890225919,4.5891920942298166,4.589148403081166,4.58937009392677,4.5892193546817355,second
+276,5.04,95,2.6684498994835462e+17,2.83,1.0402767116551463,85.1,Ring,None,1,0.2794442627983431,0.16740159158697837,5.18,4.3313194012718945,3.737293106953347,3.3217827221540883,3.0327311578128455,2.8289853455922755,2.6868760418035897,2.5882778946069207,2.5184584037165947,2.469766065438934,2.4358806805164153,2.52,2.52,2.52,2.52,2.52,2.52,2.52,2.52,2.52,2.52,2.52,1.11,1.9586805987281055,2.552706893046653,2.9682172778459117,3.2572688421871545,3.4610146544077245,3.6031239581964103,3.7017221053930793,3.7715415962834054,3.820233934561066,3.8541193194835848,first
+279,6.15,98,4.9482730914312435e+17,2.82,1.0367368849500223,116.0,Linear,None,0,0.22189098991048592,0.19389618697022284,4.54,0.9498543564259354,0.6786679240838851,0.5564622540847708,0.4826938488305387,0.43235154134825593,0.3947489601995183,0.3658459423231016,0.3424529920543532,0.32288113404781243,0.30632301074366347,0.88,0.88,0.88,0.88,0.88,0.88,0.88,0.88,0.88,0.88,0.88,1.36,2.5567152145246883,2.647110691972039,2.687845915305077,2.7124353837231543,2.729216152883915,2.7417503466001607,2.7513846858922997,2.759182335981883,2.7657062886507298,2.771225663085446,third
+275,11.91,92,2.896740898645837e+17,1.31,0.2700271372130602,114.4,Branched,Base,0,0.969208302732169,0.7375724040773656,9.77,5.43000239576185,5.4300004094724725,5.430000182054991,5.429998041831555,5.4299989489552205,5.429999888441839,5.429999860048635,5.430001966926446,5.430000685764953,5.430001228237451,2.17,1.197880925965502e-06,2.0473623699176745e-07,9.102749657369421e-08,-9.790842210255384e-07,-5.255223886045581e-07,-5.57790793609222e-08,-6.997568126650669e-08,9.834632248866542e-07,3.4288247796570544e-07,6.141187265600989e-07,3.28,5.449998802119073,5.449999795263762,5.4499999089725035,5.450000979084221,5.4500005255223885,5.4500000557790775,5.45000006997568,5.449999016536774,5.449999657117521,5.449999385881274,third
+276,13.54,100,1.4833496372570797e+17,1.83,0.6043159668533296,52.4,Branched,Acid,0,0.01757785133013402,0.014686065382745172,7.48,7.375550259404313,7.272559041478743,7.171005979831959,7.07087098910611,6.972134263723748,6.874776288976907,6.7787778154155305,6.684119856449167,6.590783688346971,6.498750850237704,3.6,3.6,3.6,3.6,3.6,3.6,3.6,3.6,3.6,3.6,3.6,3.82,3.82,3.82,3.82,3.82,3.82,3.82,3.82,3.82,3.82,3.82,first
+278,5.2,98,1.9071096959489856e+17,3.9,1.3609765531356006,181.2,Linear,None,0,0.07346162863084507,0.04867444756549883,4.16,4.101230697095324,4.0424613941906475,3.983692091285972,3.9249227883812963,3.86615348547662,3.8073841825719437,3.748614879667268,3.6898455767625915,3.631076273857915,3.5723069709532393,1.52,1.52,1.52,1.52,1.52,1.52,1.52,1.52,1.52,1.52,1.52,2.2,2.2587693029046765,2.3175386058093523,2.376307908714028,2.435077211618704,2.4938465145233804,2.5526158174280567,2.6113851203327325,2.670154423237409,2.728923726142085,2.787693029046761,zero
+270,13.74,95,7.1474945985367256e+16,4.97,1.6034198401085373,124.5,Unknown,None,1,0.029828761923547206,0.015827522479599027,3.21,3.1511959053068264,3.0985622370091677,3.051318458201581,3.008791232371144,2.9704794938643513,2.9359303322110164,2.9047276446156696,2.876492135957554,2.850881318790629,2.8275895133435673,1.02,0.9611959053068262,0.9085622370091675,0.8613184582015803,0.8187912323711436,0.7804794938643508,0.7459303322110162,0.7147276446156692,0.6864921359575535,0.6608813187906283,0.6375895133435667,1.26,1.3188040946931738,1.3714377629908325,1.4186815417984198,1.4612087676288563,1.4995205061356491,1.5340696677889838,1.5652723553843308,1.5935078640424465,1.6191186812093719,1.6424104866564333,second
+278,9.93,99,1.9322918013640074e+17,3.18,1.1568811967920856,97.2,Ring,Enzyme,1,0.0482899120765573,0.034873067990036026,6.64,4.199243898834551,3.616925434057015,3.3628245656853712,3.230894288666258,3.156045017008718,3.1122520700058947,3.085657252486921,3.0696473929156523,3.059587851195077,3.053402962641617,1.98,0.7596219494172759,0.468462717028508,0.34141228284268615,0.27544714433312967,0.23802250850435974,0.21612603500294794,0.20282862624346112,0.1948236964578266,0.18979392559753916,0.1867014813208089,0.53,1.7503780505827242,2.041537282971492,2.168587717157314,2.2345528556668706,2.2719774914956403,2.293873964997052,2.307171373756539,2.3151763035421737,2.320206074402461,2.3232985186791915,third
+278,3.67,97,3.0791644822615994e+17,1.04,0.03922071315328133,27.5,Branched,Enzyme,1,0.18281799493645065,0.1236138334428069,4.9,4.700291856020942,4.544042867621267,4.421510741075362,4.324606869223592,4.249217939754448,4.191479922767744,4.147259478868793,4.1121545213980895,4.083754373529159,4.061532755105158,0.32,0.32,0.32,0.32,0.32,0.32,0.32,0.32,0.32,0.32,0.32,4.97,5.169708143979058,5.325957132378733,5.4484892589246385,5.545393130776408,5.620782060245552,5.678520077232256,5.7227405211312075,5.757845478601911,5.7862456264708415,5.8084672448948425,first
+279,11.22,95,4.387034249224483e+16,0.88,-0.12783337150988489,88.4,Ring,Base,0,0.07170346020296306,0.040442020231580326,5.28,4.98564764510151,4.707705132234588,4.445255648620935,4.197425937303219,3.963412617005218,3.7424537858947287,3.533823141785648,3.336829982137969,3.1508192040577834,2.9751713042972794,3.08,3.08,3.08,3.08,3.08,3.08,3.08,3.08,3.08,3.08,3.08,3.43,3.43,3.43,3.43,3.43,3.43,3.43,3.43,3.43,3.43,3.43,first
+274,6.97,93,3.8126450278398586e+17,2.06,0.7227059828014898,32.5,Ring,Base,0,0.7100851331416989,0.38280588499403023,8.99,8.42193189348664,7.85386378697328,7.285795680459922,6.717727573946563,6.149659467433204,5.581591360919844,5.0135232544064845,4.445455147893124,3.877387041379764,3.309318934866403,0.29,0.29,0.29,0.29,0.29,0.29,0.29,0.29,0.29,0.29,0.29,4.24,4.8080681065133595,5.376136213026719,5.944204319540078,6.512272426053437,7.0803405325667965,7.648408639080157,8.216476745593516,8.784544852106876,9.352612958620236,9.920681065133596,zero
+277,9.2,91,2.3445724387188067e+17,1.07,0.06765864847381486,143.9,Linear,Base,0,1.6193006484360581,1.085007400433618,9.45,8.300021957238998,8.299998372799452,8.299999907224217,8.300000179442424,8.300000488509461,8.299999520062853,8.29999933076511,8.300000609662481,8.30000080789182,8.30000085236868,1.15,2.1957238998667028e-05,-1.62720054847928e-06,-9.277578287657244e-08,1.7944242297787547e-07,4.885094595625148e-07,-4.799371491346296e-07,-6.692348933060622e-07,6.096624792859077e-07,8.078918172625789e-07,8.523686776860391e-07,1.35,2.4999780427610014,2.5000016272005485,2.5000000927757826,2.4999998205575773,2.499999511490541,2.5000004799371496,2.500000669234894,2.4999993903375213,2.499999192108184,2.499999147631323,second
+272,5.35,97,2.271651089557097e+17,2.2,0.7884573603642703,163.0,Ring,Acid,0,0.05344098219894615,0.03929124238201798,8.08,7.741837653420459,7.417828050391523,7.107378601204155,6.809918552778699,6.524907405090561,6.251827055808713,5.990178658619836,5.739482623228313,5.49927861535623,5.2691255567433775,3.1,3.1,3.1,3.1,3.1,3.1,3.1,3.1,3.1,3.1,3.1,1.67,1.67,1.67,1.67,1.67,1.67,1.67,1.67,1.67,1.67,1.67,first
+279,4.93,96,3.9524583711456454e+17,3.84,1.3454723665996355,131.3,Unknown,Acid,0,0.4197673926269212,0.30471134075381157,7.51,7.174186085898462,6.838372171796926,6.502558257695388,6.166744343593852,5.830930429492314,5.495116515390777,5.159302601289239,4.823488687187703,4.487674773086165,4.1518608589846275,4.92,4.92,4.92,4.92,4.92,4.92,4.92,4.92,4.92,4.92,4.92,1.57,1.905813914101537,2.2416278282030744,2.5774417423046114,2.913255656406148,3.249069570507685,3.5848834846092226,3.92069739871076,4.256511312812297,4.592325226913834,4.928139141015372,zero
+270,11.39,97,2.1465674811763997e+17,2.03,0.7080357930536959,198.0,Unknown,Enzyme,1,0.036752653830256846,0.022867868120592848,6.93,6.46864629882043,6.121330654327731,5.853446479415497,5.64511125900785,5.481735236368036,5.350598488665026,5.243980899945038,5.157786067063966,5.087862695339239,5.030641333004901,2.98,2.518646298820431,2.1713306543277304,1.903446479415496,1.6951112590078496,1.531735236368036,1.400598488665026,1.2939808999450377,1.207786067063966,1.1378626953392383,1.0806413330049005,4.0,4.461353701179569,4.808669345672269,5.076553520584503,5.28488874099215,5.448264763631964,5.579401511334973,5.686019100054962,5.772213932936034,5.842137304660761,5.899358666995099,second
+270,6.59,99,3.634335139711717e+17,2.87,1.0543120297715298,49.6,Unknown,None,0,0.02552888797321372,0.01369121185449919,5.0,2.486112045745971,1.877026685833881,1.5704296918417362,1.3758327933753913,1.2409230382806269,1.1381560535423905,1.0572557232930482,0.9921658897582819,0.9378225898877197,0.8910429805987338,1.48,1.48,1.48,1.48,1.48,1.48,1.48,1.48,1.48,1.48,1.48,3.4,4.23796265141801,4.44099110472204,4.5431901027194215,4.608055735541536,4.653025653906458,4.687281315485871,4.7142480922356516,4.735944703413907,4.754059136704094,4.769652339800423,third
+272,12.48,95,2.507666682188756e+17,4.71,1.5496879080283263,44.6,Branched,None,1,0.14285476167631647,0.08183527517016422,6.44,2.884070989675151,2.5414779052021284,2.4433824498355796,2.410117346857607,2.398398788322776,2.3941904682912543,2.392492099191526,2.392056114474834,2.3918078966048872,2.391706542537909,2.29,0.512035494837575,0.3407389526010635,0.29169122491778904,0.27505867342880286,0.2691993941613876,0.2670952341456266,0.26624604959576254,0.2660280572374164,0.26590394830244335,0.2658532712689542,0.63,2.407964505162425,2.579261047398936,2.6283087750822105,2.6449413265711965,2.6508006058386115,2.6529047658543727,2.6537539504042367,2.653971942762583,2.654096051697556,2.654146728731045,third
+280,9.34,93,8.718467150018725e+16,3.57,1.2725655957915476,177.2,Linear,Acid,0,0.38944932310691394,0.2561071380451348,1.7,1.1205061498271356,0.9146314684901511,0.8023801303452129,0.7288986327750524,0.6767630324948948,0.6369084424783531,0.6056925806112456,0.5804328953097508,0.5592619507385229,0.5413349461408736,0.67,0.38025307491356786,0.2773157342450756,0.22119006517260653,0.18444931638752624,0.15838151624744742,0.13845422123917656,0.12284629030562286,0.11021644765487543,0.09963097536926149,0.09066747307043686,1.16,1.4497469250864319,1.5526842657549245,1.6088099348273934,1.6455506836124736,1.6716184837525525,1.6915457787608235,1.707153709694377,1.7197835523451244,1.7303690246307384,1.739332526929563,third
+275,4.89,91,3.952164631184427e+17,3.29,1.1908875647772805,24.0,Unknown,Acid,0,2.047828145624486,1.6243698749296187,8.09,1.572966224525814,0.3065101617710267,0.05964619979656911,0.011599478813142466,0.002260478181470564,0.00043989909336392304,8.567495221208676e-05,1.6546758915290224e-05,3.1418929767365022e-06,7.628029650756884e-07,1.53,1.53,1.53,1.53,1.53,1.53,1.53,1.53,1.53,1.53,1.53,2.78,2.78,2.78,2.78,2.78,2.78,2.78,2.78,2.78,2.78,2.78,first
+271,12.9,94,4.6034534625965786e+17,4.61,1.5282278570085572,73.0,Branched,None,0,0.3500587693052406,0.20062723460970472,5.81,5.529952984555807,5.249905969111614,4.969858953667422,4.6898119382232295,4.409764922779037,4.129717907334844,3.849670891890651,3.5696238764464585,3.2895768610022658,3.009529845558073,3.59,3.59,3.59,3.59,3.59,3.59,3.59,3.59,3.59,3.59,3.59,4.74,5.0200470154441925,5.300094030888386,5.580141046332578,5.86018806177677,6.140235077220963,6.420282092665156,6.700329108109349,6.980376123553541,7.260423138997734,7.540470154441927,zero
+278,6.89,90,3.0599678709829146e+17,2.45,0.8960880245566357,39.1,Ring,Base,1,3.755010384572356,2.0828163402330633,3.1,2.7481406837051683,2.7480992650166396,2.7480888562295087,2.748202498515718,2.748338149354525,2.7482021566944055,2.748158331424445,2.7479329850059147,2.748165777554411,2.748235395083056,0.55,0.19814068370516844,0.19809926501663985,0.19808885622950873,0.19820249851571775,0.1983381493545249,0.19820215669440533,0.198158331424445,0.19793298500591464,0.1981657775544109,0.1982353950830562,0.63,0.9818593162948316,0.9819007349833602,0.9819111437704913,0.9817975014842821,0.9816618506454751,0.9817978433055946,0.9818416685755549,0.9820670149940852,0.9818342224455889,0.9817646049169437,second
+280,12.17,93,2.890630479723719e+17,4.14,1.4206957878372228,194.1,Branched,Acid,0,1.2912293690046175,0.7689341891438017,3.76,1.697191928715169,1.5145191786918624,1.4795549395783139,1.4720825273026443,1.4704573499968134,1.4701000296003277,1.4700218703266081,1.4700047151319102,1.4700010549707982,1.4700003969132454,2.29,0.22719192871516952,0.04451917869186271,0.009554939578314018,0.002082527302644432,0.0004573499968136547,0.0001000296003279832,2.1870326608421703e-05,4.715131910390008e-06,1.054970798394449e-06,3.9691324569967107e-07,4.05,6.112808071284829,6.295480821308136,6.330445060421685,6.337917472697354,6.339542650003185,6.339899970399672,6.3399781296733915,6.339995284868089,6.339998945029201,6.339999603086754,second
+271,5.55,98,4.71071777241848e+17,4.65,1.536867219599265,65.2,Ring,Acid,0,0.06069116132354993,0.05176341340658426,2.51,2.3910433468097283,2.277724442200142,2.1697756832799993,2.0669406615618917,1.9689794191954695,1.8756626190233208,1.7867703745757662,1.7020922500708573,1.6214272604143771,1.54458387119984,0.88,0.88,0.88,0.88,0.88,0.88,0.88,0.88,0.88,0.88,0.88,3.84,3.9589566531902713,4.072275557799857,4.18022431672,4.2830593384381075,4.38102058080453,4.474337380976679,4.563229625424233,4.647907749929143,4.728572739585623,4.805416128800159,first
+273,6.73,94,3.680293808458798e+17,1.16,0.14842000511827322,197.4,Branched,Enzyme,0,0.37990866857055705,0.24962038057321378,6.75,4.9808083837529376,3.6754356832217407,2.7094552904295144,1.9997589182280775,1.47861405605817,1.090577038105285,0.8045036061897483,0.5945666442855017,0.4388915352973977,0.32387317919045533,2.68,2.68,2.68,2.68,2.68,2.68,2.68,2.68,2.68,2.68,2.68,3.53,3.53,3.53,3.53,3.53,3.53,3.53,3.53,3.53,3.53,3.53,first
+273,1.16,100,3.0943490761109523e+17,2.68,0.9858167945227654,164.4,Ring,None,0,0.022714882173642467,0.01731247613641598,2.58,2.5618280942610863,2.543656188522172,2.525484282783258,2.5073123770443444,2.48914047130543,2.4709685655665163,2.452796659827602,2.4346247540886883,2.4164528483497745,2.3982809426108602,3.35,3.35,3.35,3.35,3.35,3.35,3.35,3.35,3.35,3.35,3.35,2.08,2.098171905738914,2.116343811477828,2.134515717216742,2.1526876229556557,2.17085952869457,2.189031434433484,2.207203340172398,2.225375245911312,2.2435471516502257,2.26171905738914,zero
+275,6.54,100,1.0660799451999406e+17,3.29,1.1908875647772805,97.6,Ring,None,0,0.010781748639520953,0.00876694803084278,9.45,9.360397838230734,9.278499124625707,9.203499048541754,9.134749961744262,9.071692202582472,9.013806070822644,8.960611827648062,8.911669695659034,8.866579858872889,8.824982462723977,1.15,1.0603978382307337,0.9784991246257069,0.9034990485417542,0.8347499617442626,0.771692202582472,0.7138060708226439,0.6606118276480628,0.6116696956590352,0.5665798588728898,0.5249824627239774,0.32,0.4096021617692663,0.4915008753742931,0.5665009514582457,0.6352500382557373,0.698307797417528,0.7561939291773561,0.8093881723519372,0.8583303043409648,0.9034201411271102,0.9450175372760226,second
+271,5.08,98,4.413184154669865e+17,1.25,0.22314355131420976,97.0,Branched,None,0,0.05685784723717242,0.03484610070438502,3.19,2.4722860674586933,2.019674949851732,1.7059644636743496,1.4787494806978874,1.3032986556722732,1.1650873334650216,1.0543469246662922,0.9628241113905395,0.8852821942399084,0.8193001731910772,1.58,1.58,1.58,1.58,1.58,1.58,1.58,1.58,1.58,1.58,1.58,1.7,2.0588569662706533,2.285162525074134,2.4420177681628252,2.5556252596510567,2.6433506721638635,2.712456333267489,2.767826537666854,2.8135879443047305,2.852358902880046,2.8853499134044616,second
+278,11.35,92,2.2909329076999565e+17,4.35,1.4701758451005926,186.3,Branched,None,1,1.1833257007163662,0.931497815305612,1.96,1.61528784245609,1.6153035008199703,1.6155580699680863,1.616027027458081,1.6159295079924225,1.617152365607769,1.6156864832993083,1.6167582287258486,1.6160713257729415,1.615323325850545,2.69,2.69,2.69,2.69,2.69,2.69,2.69,2.69,2.69,2.69,2.69,3.14,3.3123560787719555,3.3123482495900154,3.3122209650159573,3.31198648627096,3.3120352460037887,3.3114238171961157,3.312156758350346,3.3116208856370752,3.3119643371135288,3.3123383370747272,second
+274,9.31,97,3.80077790589886e+17,0.56,-0.579818495252942,199.0,Ring,None,0,0.12228678014638523,0.06116406596812294,7.99,7.2453593634030575,6.570118762264327,5.957677642708707,5.402010405010346,4.898177086111362,4.441556785558451,4.0278010181000425,3.6528337136863045,3.3128512174691367,3.0043222898021793,0.96,0.96,0.96,0.96,0.96,0.96,0.96,0.96,0.96,0.96,0.96,4.71,4.71,4.71,4.71,4.71,4.71,4.71,4.71,4.71,4.71,4.71,first
+280,7.49,93,4.706513821510396e+17,0.77,-0.2613647641344075,109.9,Branched,Enzyme,0,2.1023748675552696,1.4927300705327309,6.58,1.2247317846796828,0.22840396053155507,0.04258978343879581,0.007926751666382358,0.0014770668550786593,0.0002758977795757812,5.11848980287883e-05,9.481182457008149e-06,1.68086313494461e-06,4.398938245292937e-07,2.67,2.67,2.67,2.67,2.67,2.67,2.67,2.67,2.67,2.67,2.67,4.87,4.87,4.87,4.87,4.87,4.87,4.87,4.87,4.87,4.87,4.87,first
+278,7.3,100,6.5917740570972984e+16,2.66,0.9783261227936078,47.6,Ring,Acid,0,0.010687714440988276,0.006664535974680775,8.59,7.489754322463882,6.6394847002049975,5.960030372892545,5.4089529471883635,4.955976134594969,4.574326672309837,4.243129772400891,3.9560647574005956,3.7054829950515416,3.4847125527983183,3.09,3.09,3.09,3.09,3.09,3.09,3.09,3.09,3.09,3.09,3.09,2.97,3.520122838768059,3.945257649897501,4.284984813553727,4.5605235264058175,4.787011932702515,4.977836663845081,5.143435113799554,5.286967621299702,5.412258502474229,5.522643723600841,second
+273,6.14,93,4.306703670270851e+17,1.22,0.19885085874516517,57.1,Ring,None,1,0.6906917852853699,0.5013987069370752,5.37,2.0865112951917024,2.07329383636539,2.071088443715324,2.0741370500439484,2.0717595842928684,2.074078498393989,2.072398674432513,2.074141400730573,2.0716909443271594,2.0734533162700375,1.12,1.12,1.12,1.12,1.12,1.12,1.12,1.12,1.12,1.12,1.12,4.27,5.911744352404149,5.918353081817306,5.919455778142338,5.917931474978025,5.919120207853565,5.9179607508030045,5.918800662783742,5.917929299634712,5.919154527836419,5.91827334186498,second
+273,12.88,90,6.677473275273801e+16,4.29,1.4562867329399256,66.9,Branched,Enzyme,1,0.4015866096028386,0.24988444970808313,1.63,1.2312273124554387,0.9943039570335717,0.8538021079868345,0.7703142490928785,0.7207575315039765,0.6912592391553523,0.6739313504407185,0.6633550193104893,0.6573461355322672,0.6536999758918487,4.05,4.05,4.05,4.05,4.05,4.05,4.05,4.05,4.05,4.05,4.05,0.06,0.458772687544561,0.6956960429664281,0.8361978920131653,0.9196857509071213,0.9692424684960234,0.9987407608446476,1.0160686495592812,1.0266449806895104,1.0326538644677326,1.0363000241081513,first
+277,1.23,92,9.350427625284114e+16,0.63,-0.4620354595965587,160.3,Linear,None,0,0.4183268969688987,0.35693506369272204,9.08,0.7047684552361744,0.4994419518743321,0.40778198357756235,0.35333083355961387,0.31598987183978,0.288687877648398,0.26713658119676975,0.2498525712991366,0.23566222723449123,0.22361963217981165,3.08,3.08,3.08,3.08,3.08,3.08,3.08,3.08,3.08,3.08,3.08,3.42,6.211743848254608,6.280186016041889,6.310739338807479,6.328889722146794,6.341336709386739,6.3504373741172,6.3576211396010756,6.36338247623362,6.368112590921835,6.372126789273395,third
+273,13.29,98,3.218346455575584e+17,4.19,1.4327007339340465,135.5,Linear,Base,0,0.057024193752235525,0.04739305736653164,1.44,1.2933379973296484,1.1688021907128527,1.0615639894062234,0.9684143163262291,0.8873098780205418,0.8163500968522276,0.7537707796481172,0.6979441176988062,0.6473794275788181,0.6014253394570155,2.43,2.2833379973296486,2.1588021907128527,2.0515639894062234,1.9584143163262293,1.877309878020542,1.8063500968522277,1.7437707796481174,1.6879441176988064,1.6373794275788183,1.591425339457016,1.56,1.7066620026703516,1.8311978092871473,1.9384360105937766,2.0315856836737707,2.1126901219794583,2.1836499031477725,2.246229220351883,2.302055882301194,2.352620572421182,2.3985746605429843,second
+272,4.32,95,2.887613827719346e+17,1.99,0.688134638736401,31.2,Unknown,Acid,0,0.16449928856255902,0.14271782509610106,5.74,5.6084005691499526,5.476801138299905,5.345201707449858,5.2136022765998105,5.082002845749764,4.950403414899716,4.818803984049669,4.6872045531996225,4.555605122349576,4.424005691499529,0.83,0.83,0.83,0.83,0.83,0.83,0.83,0.83,0.83,0.83,0.83,0.17,0.30159943085004715,0.4331988617000944,0.5647982925501417,0.6963977234001888,0.827997154250236,0.9595965851002833,1.0911960159503304,1.2227954468003772,1.354394877650424,1.4859943085004708,zero
+279,9.71,98,2.1764458955302694e+17,1.44,0.36464311358790924,147.2,Ring,None,0,0.09759641905821759,0.08516206135866976,3.8,3.5145936585228967,3.250622294379954,3.006419463691835,2.780529364129205,2.5716325938269966,2.3784785344754673,2.1998853513202032,2.0347399931621153,1.881998192357441,1.7406844648177453,2.59,2.59,2.59,2.59,2.59,2.59,2.59,2.59,2.59,2.59,2.59,1.03,1.3154063414771031,1.5793777056200455,1.823580536308165,2.049470635870795,2.2583674061730035,2.4515214655245323,2.630114648679797,2.795260006837885,2.9480018076425587,3.0893155351822545,first
+274,1.97,90,1.2345202426249664e+17,3.53,1.2612978709452054,77.0,Branched,None,0,0.8580548206775451,0.4661683791649136,4.36,3.6735561434579647,2.9871122869159286,2.3006684303738925,1.6142245738318564,0.9277807172898198,0.24133686074778327,-0.44510699579425284,-1.1315508523362894,-1.8179947088783237,-2.5044385654203607,3.14,3.14,3.14,3.14,3.14,3.14,3.14,3.14,3.14,3.14,3.14,1.65,2.336443856542036,3.022887713084072,3.709331569626108,4.395775426168145,5.082219282710181,5.768663139252217,6.455106995794253,7.14155085233629,7.827994708878324,8.514438565420361,zero
+276,9.4,96,4.519124197547469e+17,3.86,1.3506671834767394,136.1,Linear,Base,0,0.3060748490695083,0.2519311910959804,2.32,1.9058825285668313,1.7793417860596323,1.7269937659625212,1.7029272657894707,1.6913529046245357,1.6856531995153032,1.6828218979700178,1.681413941375728,1.6807090960682904,1.68035534877653,0.32,0.11294126428341578,0.049670893029816233,0.023496882981260632,0.011463632894735388,0.005676452312267848,0.0028265997576517004,0.00141094898500891,0.000706970687864115,0.0003545480341452749,0.00017767438826504756,2.06,2.267058735716584,2.330329106970184,2.3565031170187396,2.368536367105265,2.374323547687733,2.377173400242349,2.3785890510149916,2.3792930293121364,2.379645451965855,2.3798223256117352,third
+277,5.22,94,3.4362520909576346e+17,1.97,0.6780335427498971,160.8,Unknown,None,0,0.6450751270637526,0.49655875041011566,2.85,2.333939898348998,1.8178797966979958,1.3018196950469934,0.7857595933959913,0.2696994917449893,-0.24636060990601383,-0.7624207115570165,-1.2784808132080205,-1.7945409148590232,-2.3106010165100273,2.98,2.98,2.98,2.98,2.98,2.98,2.98,2.98,2.98,2.98,2.98,3.54,4.056060101651003,4.572120203302004,5.088180304953006,5.604240406604008,6.12030050825501,6.6363606099060135,7.152420711557016,7.668480813208021,8.184540914859022,8.700601016510028,zero
+278,3.7,96,3.9808166873226605e+17,3.11,1.1346227261911428,141.0,Branched,Enzyme,0,0.3643001976164161,0.24027303471345235,3.5,2.1567831065801166,1.9893970329228887,1.942634243637413,1.9276167757742315,1.9225900533642108,1.9208838216791646,1.9203018465185657,1.9201030954754135,1.9200356602618147,1.9200123432030272,0.79,0.11839155329005832,0.03469851646144452,0.011317121818706826,0.003808387887116029,0.001295026682105648,0.0004419108395825462,0.00015092325928317703,5.15477377069575e-05,1.7830130907571374e-05,6.1716015138261165e-06,0.39,1.0616084467099416,1.1453014835385555,1.1686828781812932,1.1761916121128841,1.1787049733178947,1.1795580891604178,1.179849076740717,1.1799484522622932,1.1799821698690927,1.1799938283984863,third
+272,8.9,93,4.2029751919581344e+17,1.07,0.06765864847381486,122.1,Unknown,Acid,1,0.5797941711258976,0.3487983866025079,8.99,7.155908197554036,7.121484937284402,7.120744615931318,7.120880105237158,7.121060921305993,7.121343186461127,7.121229549090497,7.120668388352969,7.120466546737842,7.120734228251932,2.29,0.4559081975540361,0.42148493728440134,0.4207446159313169,0.42088010523715713,0.4210609213059925,0.42134318646112634,0.4212295490904968,0.42066838835296844,0.4204665467378411,0.4207342282519312,3.11,4.944091802445964,4.978515062715599,4.979255384068683,4.979119894762842,4.978939078694007,4.978656813538874,4.978770450909503,4.979331611647032,4.9795334532621585,4.979265771748069,second
+275,10.19,94,5.268051724663248e+16,1.09,0.08617769624105241,143.8,Branched,None,1,0.07349461069983815,0.061849831991497385,6.7,3.1870422331087003,2.66483375902716,2.4794015998806826,2.4007833247448813,2.364350721182815,2.347640940813755,2.33938949757826,2.335860306762975,2.3338318946286774,2.3329469886175707,2.85,1.0935211165543501,0.83241687951358,0.7397007999403413,0.7003916623724407,0.6821753605914076,0.6738204704068775,0.66969474878913,0.6679301533814873,0.6669159473143387,0.6664734943087852,2.12,3.87647888344565,4.13758312048642,4.230299200059659,4.2696083376275595,4.287824639408592,4.296179529593123,4.30030525121087,4.3020698466185125,4.303084052685661,4.303526505691215,third
+273,6.79,97,1.2508925013724464e+17,3.49,1.2499017362143359,86.9,Linear,Acid,0,0.034434115887178485,0.028996039039275424,3.26,3.232452707290257,3.204905414580514,3.177358121870771,3.1498108291610283,3.122263536451286,3.094716243741543,3.0671689510318,3.039621658322057,3.0120743656123143,2.9845270729025715,2.57,2.57,2.57,2.57,2.57,2.57,2.57,2.57,2.57,2.57,2.57,1.6,1.6275472927097427,1.6550945854194856,1.6826418781292285,1.7101891708389712,1.737736463548714,1.765283756258457,1.7928310489681996,1.8203783416779424,1.8479256343876853,1.8754729270974282,zero
+276,10.64,93,3.374281385463878e+17,1.19,0.17395330712343798,28.0,Ring,None,1,0.844778778168101,0.47825002027980873,4.82,3.3342873132787134,3.3341253457571987,3.3344447286246903,3.3341211891056832,3.334048385854823,3.3344512334263836,3.3341262460822256,3.3341663455833155,3.334396111327682,3.3342426474003046,0.85,0.1071436566393565,0.10706267287859926,0.10722236431234516,0.10706059455284139,0.10702419292741143,0.10722561671319185,0.10706312304111293,0.1070831727916578,0.10719805566384079,0.10712132370015225,1.36,2.102856343360644,2.1029373271214014,2.1027776356876555,2.1029394054471595,2.102975807072589,2.102774383286808,2.1029368769588874,2.1029168272083427,2.10280194433616,2.1028786762998486,third
+280,1.94,91,1.009024429054693e+17,2.91,1.0681530811834012,81.4,Branched,Base,0,1.0642178661729673,0.719337288488198,8.43,0.5512138631029733,0.2846618996261109,0.19193832164380023,0.1448571481057506,0.11629364932758002,0.09712828403945614,0.08335464349232564,0.07309995424915715,0.06501677401628207,0.058536756499446965,0.78,0.78,0.78,0.78,0.78,0.78,0.78,0.78,0.78,0.78,0.78,4.38,8.319393068448514,8.452669050186946,8.499030839178102,8.522571425947126,8.536853175336212,8.546435857980274,8.553322678253839,8.558450022875423,8.562491612991861,8.56573162175028,second
+271,2.38,99,4.120673538295874e+17,3.02,1.1052568313867783,123.5,Unknown,Acid,0,0.03406056598015206,0.025689035821366668,2.21,1.8994794355272104,1.6854940891488857,1.5258029909158386,1.402350118780887,1.3027355449929068,1.2190716054545647,1.148316925425478,1.0877317044927093,1.0350247315186267,0.9883599617399346,1.44,1.2847397177636053,1.1777470445744427,1.0979014954579194,1.0361750593904435,0.9863677724964534,0.9445358027272823,0.9091584627127389,0.8788658522463546,0.8525123657593133,0.8291799808699672,0.82,0.9752602822363948,1.0822529554255573,1.1620985045420806,1.2238249406095565,1.2736322275035468,1.3154641972727177,1.350841537287261,1.3811341477536454,1.4074876342406868,1.4308200191300326,third
+278,5.91,90,1.8138723101104563e+17,3.11,1.1346227261911428,111.5,Unknown,Acid,0,2.2258761032563283,1.6062003767925672,3.64,0.26149915733700924,0.13567151017313211,0.09159088620416585,0.06917260597751682,0.05548669948529272,0.04640946565800689,0.03981670971033105,0.0348866546784138,0.031072333989605867,0.027979494875590583,3.8,3.8,3.8,3.8,3.8,3.8,3.8,3.8,3.8,3.8,3.8,4.66,6.349250421331495,6.412164244913433,6.4342045568979165,6.445413697011241,6.452256650257353,6.456795267170996,6.460091645144833,6.462556672660792,6.464463833005196,6.466010252562204,second
+274,8.01,97,2.849794694274221e+17,2.57,0.9439058989071284,125.2,Ring,Base,0,0.09168970823056566,0.0816294856388584,6.54,1.4720797843633164,1.053943611132125,0.864732673045428,0.7499511978370115,0.6722070596596634,0.6137494963258374,0.5685946642313751,0.5324568938030296,0.5021437370301636,0.4764051756834157,1.5,1.5,1.5,1.5,1.5,1.5,1.5,1.5,1.5,1.5,1.5,1.12,2.809306738545561,2.9486854629559582,3.0117557756515243,3.050016267387663,3.0759309801134456,3.0954168345580544,3.1104684452562084,3.1225143687323236,3.132618754323279,3.141198274772195,third
+270,2.0,96,3.87893767910302e+17,1.16,0.14842000511827322,52.6,Branched,Acid,0,0.10368730274577422,0.07617491810715288,3.82,3.7370501578033806,3.654100315606761,3.5711504734101416,3.4882006312135223,3.405250789016903,3.3223009468202838,3.239351104623664,3.1564012624270448,3.0734514202304255,2.9905015780338062,2.24,2.24,2.24,2.24,2.24,2.24,2.24,2.24,2.24,2.24,2.24,2.35,2.4329498421966194,2.515899684393239,2.5988495265898583,2.6817993687864776,2.764749210983097,2.847699053179716,2.930648895376336,3.013598737572955,3.0965485797695744,3.1794984219661937,zero
+272,2.5,92,1.1574652798662341e+17,3.52,1.2584609896100056,178.4,Ring,Base,1,0.2484683319226762,0.18977280489017992,8.5,6.57489311965749,6.574758844257594,6.5746273693501145,6.574833087933075,6.574863283661801,6.574691745588101,6.574623024389147,6.574849155826245,6.574860827410714,6.574768858703274,1.03,0.0674465598287444,0.06737942212879613,0.06731368467505663,0.06741654396653676,0.06743164183089993,0.06734587279404988,0.06731151219457246,0.06742457791312186,0.06743041370535667,0.0673844293516372,2.85,3.8125534401712553,3.8126205778712032,3.812686315324943,3.8125834560334626,3.8125683581690994,3.8126541272059495,3.812688487805427,3.8125754220868777,3.812569586294643,3.812615570648363,third
+272,1.2,92,3.5592624831741108e+16,2.25,0.8109302162163288,150.1,Ring,Acid,0,0.07640523024340201,0.06655185814130647,8.68,8.165331621323924,7.681178849436609,7.225695984707148,6.797204376290429,6.39413860119637,6.015005650150156,5.658384927592246,5.3229282516783645,5.007359854279503,4.71047638098193,3.59,3.59,3.59,3.59,3.59,3.59,3.59,3.59,3.59,3.59,3.59,1.7,2.214668378676075,2.6988211505633903,3.1543040152928516,3.582795623709571,3.98586139880363,4.364994349849844,4.7216150724077535,5.057071748321636,5.372640145720496,5.66952361901807,first
+271,6.05,91,2.2501114810420182e+17,1.33,0.28517894223366247,49.5,Ring,Enzyme,0,0.6479259465963808,0.5597175404100682,2.91,1.7324790037356046,1.0318475055328018,0.6143958574098858,0.36628286671754995,0.21820845827862037,0.12999952867083764,0.07749175801072725,0.04614083952069058,0.027519152906022887,0.01639396907501197,2.8,2.8,2.8,2.8,2.8,2.8,2.8,2.8,2.8,2.8,2.8,4.01,4.01,4.01,4.01,4.01,4.01,4.01,4.01,4.01,4.01,4.01,first
+278,7.13,91,3.439634502343596e+17,4.13,1.4182774069729414,99.8,Ring,None,0,2.738453670024924,1.4456569320525212,7.01,0.22185852219017727,0.11271567928929903,0.07554329550265877,0.056855890546183674,0.04550822978669155,0.038005178221465166,0.032566562406273036,0.02852409078722268,0.025382047948189275,0.022841768912680964,1.24,1.24,1.24,1.24,1.24,1.24,1.24,1.24,1.24,1.24,1.24,4.2,7.594070738904912,7.648642160355351,7.667228352248671,7.6765720547269085,7.682245885106655,7.685997410889268,7.688716718796864,7.690737954606389,7.692308976025906,7.69357911554366,second
+278,6.87,98,5.735188407198736e+16,0.68,-0.3856624808119846,193.8,Branched,Base,1,0.022091874515268128,0.01710527923739847,8.5,8.081723132391815,7.7411481499135055,7.460009521793543,7.226726483661844,7.031834342376401,6.867182180706665,6.726338395280101,6.605908720406808,6.5026369039542145,6.4137050083196385,3.18,2.7617231323918157,2.4211481499135052,2.1400095217935426,1.906726483661844,1.7118343423764004,1.5471821807066648,1.4063383952801007,1.2859087204068085,1.1826369039542146,1.0937050083196387,0.94,1.3582768676081844,1.6988518500864942,1.979990478206457,2.2132735163381554,2.4081656576235995,2.572817819293335,2.7136616047198987,2.8340912795931907,2.937363096045785,3.026294991680361,second
+275,4.8,90,1.7562117305267786e+17,1.68,0.5187937934151675,104.6,Linear,None,1,1.4092445367169202,0.8307337428587214,6.59,1.3746799923151072,1.37440376879138,1.3744945699689215,1.374792884794923,1.3751171636956823,1.3753768501072139,1.3755684332191453,1.3757294733010392,1.375905720538837,1.3766434016322684,1.74,1.74,1.74,1.74,1.74,1.74,1.74,1.74,1.74,1.74,1.74,2.68,4.418440002561631,4.418532077069539,4.418501810010359,4.418402371735025,4.418294278768105,4.418207716630928,4.418143855593617,4.418090175566318,4.418031426487052,4.4177855327892415,third
+274,6.43,90,1.54734754260154e+17,4.85,1.5789787049493917,20.9,Unknown,Base,0,1.0754858222249075,0.8729146774084943,9.21,3.8939757972586433,1.6491968779715434,0.6981807737823209,0.29567761219543065,0.12524127354518816,0.053049785561144425,0.022466700476672083,0.009509445978982355,0.004023626874924715,0.0017041018509260384,2.9,2.9,2.9,2.9,2.9,2.9,2.9,2.9,2.9,2.9,2.9,0.25,0.25,0.25,0.25,0.25,0.25,0.25,0.25,0.25,0.25,0.25,first
+280,11.42,97,4.546946778768261e+17,3.22,1.169381359556317,21.6,Unknown,Acid,0,0.36432971565518474,0.24467335216258226,9.27,6.926123188783423,5.175024954420028,3.862938689957888,2.8862698408917766,2.1607171248646706,1.6143370692695356,1.205463595399362,0.901714425721184,0.6743069394958384,0.503823709042215,4.84,4.84,4.84,4.84,4.84,4.84,4.84,4.84,4.84,4.84,4.84,4.34,4.34,4.34,4.34,4.34,4.34,4.34,4.34,4.34,4.34,4.34,first
+272,6.79,91,4.2258124149191354e+17,0.86,-0.15082288973458366,27.1,Branched,None,0,1.4116249967503023,1.0250583426884603,7.85,2.5414309738928713,0.8222951917441877,0.26595722482626555,0.08603109528347369,0.027842780244225273,0.009016077124887095,0.002920311095684593,0.0009454701050989506,0.0003060344769459915,9.923762481897755e-05,1.98,1.98,1.98,1.98,1.98,1.98,1.98,1.98,1.98,1.98,1.98,1.25,1.25,1.25,1.25,1.25,1.25,1.25,1.25,1.25,1.25,1.25,first
+272,5.81,92,1.2108484694013118e+17,2.95,1.0818051703517284,42.3,Ring,Enzyme,1,0.25992788262127314,0.17374217752856913,9.07,7.729998561185285,6.782262987482598,6.111782756591676,5.640848256442306,5.305887432707339,5.068749203048871,4.902903157948517,4.784809286672021,4.7010142751428035,4.6419491427363,2.47,2.47,2.47,2.47,2.47,2.47,2.47,2.47,2.47,2.47,2.47,2.16,3.5000014388147154,4.447737012517402,5.118217243408324,5.589151743557695,5.924112567292662,6.161250796951129,6.327096842051484,6.445190713327979,6.528985724857197,6.5880508572637,first
+276,4.11,92,1.4136936412157357e+17,2.6,0.9555114450274363,96.3,Ring,None,0,0.5472424533309236,0.47716870244961695,1.05,0.28461698687603765,0.16794002589384882,0.11966257808994633,0.093129321596014,0.07617104785506319,0.06455983240092576,0.055986720629057234,0.04941184577929714,0.044274788964627505,0.04010210662349437,3.21,2.8273084934380193,2.768970012946925,2.7448312890449733,2.7315646607980075,2.723085523927532,2.717279916200463,2.712993360314529,2.709705922889649,2.7071373944823143,2.7050510533117476,0.34,0.7226915065619811,0.7810299870530755,0.8051687109550267,0.8184353392019929,0.8269144760724683,0.832720083799537,0.8370066396854713,0.8402940771103513,0.8428626055176862,0.8449489466882527,third
+277,4.7,98,4.6224309737158835e+17,3.25,1.1786549963416462,126.4,Unknown,Enzyme,0,0.15278391728468932,0.1241094508973604,7.92,6.644208817779657,6.64001912635173,6.640000440539987,6.639998555157764,6.640001381555461,6.640000162405599,6.639999179759408,6.640002275848125,6.6399993017006285,6.64000141317437,0.64,0.0021044088898289665,9.563175865349752e-06,2.20269994400946e-07,-7.22421117654239e-07,6.907777314225384e-07,8.120280005240641e-08,-4.101202953583783e-07,1.1379240628069064e-06,-3.491496855507388e-07,7.065871852185483e-07,3.09,3.727895591110171,3.729990436824135,3.729999779730006,3.730000722421118,3.7299993092222694,3.7299999187972004,3.730000410120296,3.7299988620759374,3.7300003491496856,3.7299992934128148,third
+276,4.29,93,1.6950303368079674e+17,4.2,1.4350845252893227,147.8,Unknown,None,0,0.42436462562224814,0.22723851248011065,3.42,0.6882429205513043,0.491257986135202,0.4026406148517665,0.3492605725466795,0.31274783692749364,0.28555186447625786,0.2646538284233093,0.24768693495389454,0.23352540781954892,0.221545280089927,4.08,4.08,4.08,4.08,4.08,4.08,4.08,4.08,4.08,4.08,4.08,4.65,5.560585693149566,5.626247337954933,5.655786461716079,5.673579809151108,5.685750721024169,5.694816045174581,5.701782057192231,5.707437688348702,5.712158197393484,5.716151573303358,third
+272,12.16,91,3.2599414836379334e+17,4.53,1.5107219394949427,138.6,Ring,Enzyme,1,1.0889775584926509,0.6189149996371104,9.07,5.23913115849363,4.262659617559621,4.013840963947288,3.949858892907427,3.933577295395699,3.930412904792411,3.928162867262338,3.9291343797638887,3.928307291328639,3.9285056368013973,4.38,4.38,4.38,4.38,4.38,4.38,4.38,4.38,4.38,4.38,4.38,1.77,5.600868841506371,6.57734038244038,6.826159036052713,6.890141107092575,6.906422704604302,6.90958709520759,6.911837132737664,6.9108656202361125,6.911692708671362,6.911494363198604,first
+278,2.48,96,3.664925378992157e+17,3.56,1.269760544863939,24.2,Branched,Base,0,0.3353917411138615,0.2973489875333902,5.26,1.7124848816238256,1.3757665525135618,1.232294373790709,1.1526498262436609,1.1030817566848237,1.0696820079803335,1.0465390139053783,1.0298507516059596,1.0176415604232982,1.0086047381263166,2.14,0.3662424408119129,0.19788327625678087,0.12614718689535453,0.08632491312183037,0.06154087834241183,0.0448410039901667,0.0332695069526891,0.024925375802979783,0.018820780211649086,0.014302369063158304,3.18,4.953757559188088,5.12211672374322,5.193852813104646,5.23367508687817,5.258459121657589,5.275158996009834,5.286730493047312,5.295074624197022,5.301179219788352,5.305697630936843,third
+280,7.75,97,1.6753148845890752e+17,1.66,0.5068176023684519,64.0,Unknown,Enzyme,0,0.13423667028286196,0.10979902954731584,7.77,2.9154215488324775,1.7944579964548788,1.2966718521153502,1.0158154621838424,0.8336727061334793,0.7079736854707203,0.6147531372196375,0.5429533261964475,0.4867126151204262,0.44103229052928905,3.52,3.52,3.52,3.52,3.52,3.52,3.52,3.52,3.52,3.52,3.52,1.27,3.6972892255837615,4.257771001772561,4.506664073942325,4.647092268908079,4.73816364693326,4.80101315726464,4.847623431390181,4.883523336901776,4.911643692439786,4.934483854735355,second
+275,5.89,90,8.255806877663914e+16,0.92,-0.08338160893905101,161.1,Ring,Acid,1,0.6624742641394425,0.35572492772030995,5.34,1.151587514265727,1.1433021658385665,1.1431670363901067,1.1441404179396897,1.142880512689867,1.1450954052752078,1.1427426982234525,1.1442895126450148,1.1424575846000076,1.1439980313215175,3.72,1.625793757132864,1.6216510829192838,1.621583518195054,1.6220702089698453,1.621440256344934,1.6225477026376045,1.621371349111727,1.622144756322508,1.6212287923000042,1.621999015660759,1.85,3.944206242867136,3.9483489170807164,3.948416481804946,3.9479297910301545,3.948559743655066,3.947452297362396,3.9486286508882733,3.947855243677492,3.9487712076999957,3.9480009843392407,third
+272,5.53,96,4.0712304800953344e+17,0.85,-0.16251892949777494,114.1,Ring,Enzyme,0,0.1490405851385744,0.10934019162218674,5.68,2.421377644358297,1.5377087877537392,1.1256412779282203,0.8880943932616514,0.7335446094219374,0.6247625102857708,0.5436615392178998,0.481830796140719,0.4324366308021658,0.3920122184641753,3.83,3.83,3.83,3.83,3.83,3.83,3.83,3.83,3.83,3.83,3.83,3.96,5.589311177820851,6.031145606123129,6.2371793610358885,6.355952803369173,6.43322769528903,6.487618744857114,6.5281692303910495,6.55908460192964,6.583781684598916,6.603993890767911,second
+275,11.28,96,1.0904744478510317e+17,1.95,0.6678293725756554,21.2,Linear,Base,0,0.06343353956162313,0.0434012420195585,9.53,8.628673814237324,8.094856864625683,7.75962825919152,7.5413859197322965,7.395982374705682,7.2979709859586945,7.230673382820868,7.184699678339523,7.15279149193911,7.130670207815175,2.45,1.5486738142373249,1.0148568646256835,0.6796282591915205,0.4613859197322966,0.31598237470568197,0.21797098595869435,0.15067338282086773,0.10469967833952343,0.07279149193910919,0.050670207815174687,2.85,3.751326185762675,4.285143135374317,4.62037174080848,4.838614080267703,4.984017625294318,5.082029014041305,5.149326617179132,5.1953003216604765,5.22720850806089,5.249329792184825,second
+273,11.19,97,3.5902035675059757e+17,1.51,0.412109650826833,110.5,Ring,Acid,0,0.0988298239588324,0.062299212422916056,6.35,5.618479229495149,5.196158481423162,4.934435867049069,4.764362616573746,4.651435927883851,4.574727829001503,4.521938675983801,4.485566544444422,4.4600746897175805,4.442264950211913,1.95,1.218479229495149,0.7961584814231623,0.534435867049069,0.3643626165737462,0.2514359278838505,0.17472782900150302,0.12193867598380077,0.08556654444442253,0.0600746897175805,0.04226495021191311,1.5,2.2315207705048508,2.6538415185768374,2.9155641329509305,3.0856373834262536,3.1985640721161492,3.275272170998497,3.328061324016199,3.3644334555555773,3.3899253102824196,3.4077350497880867,second
+275,7.37,100,4.569366112496885e+17,2.06,0.7227059828014898,109.8,Ring,Acid,0,0.04621206607319375,0.027188210179841875,3.11,2.9874781961129258,2.8818823293791556,2.789980758873665,2.7093976545542633,2.638700882356343,2.5765553049904604,2.5217014990405753,2.472955754964054,2.4292100770916685,2.3894502958104793,1.15,1.0274781961129256,0.9218823293791555,0.8299807588736655,0.7493976545542632,0.6787008823563433,0.6165553049904605,0.5617014990405755,0.5129557549640544,0.4692100770916688,0.4294502958104795,4.29,4.412521803887074,4.518117670620844,4.610019241126334,4.690602345445736,4.761299117643656,4.823444695009539,4.878298500959424,4.927044245035945,4.970789922908331,5.01054970418952,second
+278,5.96,91,2.6806361826575792e+17,1.21,0.1906203596086497,88.9,Unknown,None,0,2.1341796599024097,1.6844811585660817,4.22,0.17403928766655666,0.09415449656763206,0.06488548575812977,0.049609221913426246,0.04013426907144544,0.03376908784042977,0.02911821688340835,0.02559876912162164,0.02286811969479345,0.02065126305333085,3.48,1.4570196438332788,1.4170772482838165,1.4024427428790653,1.3948046109567136,1.3900671345357232,1.3868845439202153,1.3845591084417046,1.3827993845608113,1.3814340598473973,1.380325631526666,0.43,2.4529803561667216,2.492922751716184,2.507557257120935,2.5151953890432868,2.519932865464277,2.523115456079785,2.5254408915582958,2.527200615439189,2.5285659401526033,2.5296743684733345,third
+278,7.04,98,6.10380915026503e+16,2.26,0.8153648132841944,54.5,Linear,Enzyme,1,0.023511797039404182,0.01703016267032584,8.23,4.394125280481596,3.4099232352318976,2.9322845157042314,2.647621248741812,2.4634434033224117,2.3346146687371268,2.2435574860095255,2.1764983714705965,2.125910617395814,2.0876891095999244,4.18,2.2620626402407975,1.7699616176159483,1.5311422578521152,1.3888106243709055,1.2967217016612054,1.2323073343685629,1.1867787430047623,1.1532491857352978,1.1279553086979066,1.1088445547999617,2.38,4.297937359759202,4.7900383823840516,5.028857742147885,5.171189375629094,5.263278298338794,5.327692665631437,5.373221256995238,5.4067508142647025,5.432044691302093,5.451155445200039,third
+272,8.17,99,2.0136669164914195e+17,3.24,1.1755733298042381,51.5,Linear,Base,1,0.01956267913922298,0.01262809835988917,3.84,3.786318099244426,3.7373404809550266,3.6925846709414922,3.651616235220197,3.6140801792761015,3.5796603778996,3.5480660306436502,3.5190316618237705,3.492317120518042,3.467707580567108,1.48,1.4263180992444262,1.3773404809550267,1.3325846709414924,1.2916162352201972,1.2540801792761018,1.2196603778996007,1.1880660306436506,1.1590316618237708,1.1323171205180422,1.1077075805671086,3.24,3.293681900755574,3.3426595190449735,3.387415329058508,3.4283837647798032,3.4659198207238986,3.5003396221004,3.53193396935635,3.5609683381762296,3.587682879481958,3.612292419432892,second
+270,9.92,100,2.9632039426747546e+17,2.81,1.0331844833456545,131.3,Branched,Base,0,0.013332139531327798,0.011832244694178432,3.93,3.8993311706068776,3.8701366925827307,3.842328276495307,3.815823692403438,3.7905484220153296,3.7664330248097526,3.7434123029527258,3.7214253012975105,3.7004153073846147,3.6803298514417913,0.75,0.7193311706068772,0.6901366925827304,0.6623282764953066,0.6358236924034378,0.6105484220153291,0.5864330248097525,0.5634123029527253,0.54142530129751,0.5204153073846142,0.5003298514417908,3.14,3.1706688293931227,3.1998633074172695,3.2276717235046934,3.254176307596562,3.2794515779846707,3.3035669751902477,3.3265876970472745,3.34857469870249,3.3695846926153856,3.389670148558209,second
+278,1.29,90,1.9483706503497834e+17,0.88,-0.12783337150988489,76.3,Branched,Base,0,2.390924458533402,1.3393349062590414,4.67,0.24852404412669576,0.12772013512231783,0.08592369362765334,0.06467830187309939,0.05191302224357008,0.0433182456632126,0.03721533200276482,0.03257170697009129,0.02897156192239004,0.026091012013432772,4.7,4.7,4.7,4.7,4.7,4.7,4.7,4.7,4.7,4.7,4.7,4.02,6.230737977936652,6.29113993243884,6.3120381531861725,6.32266084906345,6.329043488878215,6.333340877168393,6.336392333998617,6.3387141465149535,6.340514219038805,6.341954493993283,second
+270,9.18,93,2.5849735864323824e+17,1.24,0.2151113796169455,61.0,Branched,None,0,0.2629509448343489,0.2121311344992326,9.83,7.965161842116524,6.453605090021485,5.227081811111095,4.23525375361562,3.4339925207140207,2.783830853282564,2.254951148378651,1.8268683184723484,1.4809711808062416,1.2006499029774091,3.76,3.76,3.76,3.76,3.76,3.76,3.76,3.76,3.76,3.76,3.76,3.04,4.904838157883477,6.416394909978516,7.642918188888906,8.634746246384381,9.43600747928598,10.086169146717438,10.615048851621351,11.043131681527653,11.38902881919376,11.669350097022592,first
+275,5.76,96,2.1852326908097843e+17,4.21,1.43746264769429,84.9,Branched,Enzyme,1,0.12711627000247777,0.10345177164752374,7.84,3.2017298601137583,2.2559459975091576,1.9195955302792158,1.778870658400665,1.716999149811867,1.6880236710994123,1.67497489094958,1.6684234850742317,1.6660326082613552,1.664455570833838,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,0.31,2.6291350699431213,3.1020270012454216,3.2702022348603923,3.3405646707996675,3.3715004250940668,3.385988164450294,3.39251255452521,3.3957882574628844,3.3969836958693227,3.397772214583081,second
+279,8.02,98,4.827804289937177e+17,2.6,0.9555114450274363,141.0,Branched,Enzyme,1,0.2164889150607495,0.1871457345692686,3.47,2.1640038172542906,1.7426896679281192,1.5816501224709814,1.5155828106086058,1.4874157531064927,1.4760804965583705,1.4705981889990587,1.468853116102874,1.4677771274526774,1.4673296773035363,4.58,3.27400381725429,2.852689667928119,2.691650122470981,2.6255828106086057,2.597415753106492,2.5860804965583704,2.5805981889990584,2.5788531161028736,2.5777771274526775,2.577329677303536,2.37,3.67599618274571,4.097310332071881,4.258349877529019,4.324417189391395,4.352584246893508,4.363919503441631,4.369401811000942,4.371146883897127,4.372222872547323,4.3726703226964645,second
+279,1.08,99,1.5597158090908723e+17,3.19,1.1600209167967532,67.3,Linear,Acid,1,0.045446850114477355,0.03968374992795454,4.28,4.130798185950728,3.9914028945927185,3.8611632227512382,3.7395019066387856,3.6258686932347595,3.5197398758508105,3.42061829413084,3.328033334050999,3.2415409279196896,3.160723554377566,2.15,2.15,2.15,2.15,2.15,2.15,2.15,2.15,2.15,2.15,2.15,0.04,0.1892018140492719,0.3285971054072816,0.4588367772487618,0.5804980933612147,0.6941313067652408,0.8002601241491897,0.8993817058691606,0.9919666659490015,1.0784590720803104,1.1592764456224345,first
+277,2.9,95,1.462038344790391e+17,4.42,1.4861396960896067,59.7,Linear,None,0,0.17778885138722844,0.13045149923427193,8.63,8.487768918890216,8.345537837780434,8.203306756670651,8.061075675560868,7.918844594451087,7.776613513341303,7.63438243223152,7.492151351121738,7.349920270011955,7.207689188902172,0.22,0.22,0.22,0.22,0.22,0.22,0.22,0.22,0.22,0.22,0.22,1.75,1.8922310811097827,2.0344621622195658,2.1766932433293484,2.318924324439131,2.461155405548914,2.603386486658697,2.7456175677684795,2.887848648878262,3.0300797299880453,3.172310811097828,zero
+271,6.63,100,4.1672433937735494e+17,4.55,1.5151272329628591,22.7,Unknown,None,1,0.022099263881410768,0.019481201602929526,3.18,2.313726722398882,1.962457382863311,1.7773330717553444,1.6696989464361647,1.6000626550302266,1.5554371912160503,1.5254492235480535,1.5044766356900068,1.4904156398910002,1.4807864280766787,3.54,3.54,3.54,3.54,3.54,3.54,3.54,3.54,3.54,3.54,3.54,2.94,3.2287577592003727,3.345847539045563,3.4075556427482185,3.4434336845212785,3.4666457816565908,3.481520936261316,3.4915169254839817,3.4985077881033306,3.5031947867029993,3.50640452397444,third
+272,3.72,95,1.3296361964826637e+17,2.73,1.0043016091968684,83.4,Branched,Enzyme,0,0.07574565763219618,0.06392595584169336,7.82,4.030214981518564,2.709232793171568,2.0431665990689516,1.6376072146319303,1.3683323305687427,1.1732678472110014,1.0282851796013694,0.9150613086129504,0.8237120250239838,0.7489574728489707,0.69,0.69,0.69,0.69,0.69,0.69,0.69,0.69,0.69,0.69,0.69,4.68,6.574892509240717,7.235383603414216,7.568416700465525,7.771196392684035,7.905833834715629,8.0033660763945,8.075857410199315,8.132469345693524,8.178143987488008,8.215521263575514,second
+280,5.66,100,4.594583601163992e+16,2.46,0.9001613499442714,95.7,Linear,Acid,1,0.01014714372352471,0.0077370665585109015,7.07,3.8585110271259584,2.9912300708864383,2.555416203551981,2.290164248739863,2.1108289731651126,1.98365706791537,1.8870500122919598,1.8136524476415707,1.7571347815371845,1.7118598670259442,4.73,4.73,4.73,4.73,4.73,4.73,4.73,4.73,4.73,4.73,4.73,2.59,3.6604963242913464,3.9495899763711866,4.094861265482672,4.183278583753379,4.243057008944962,4.28544764402821,4.31764999590268,4.342115850786143,4.360955072820937,4.376046710991352,third
+274,10.73,100,3.089520514704377e+17,3.74,1.3190856114264407,136.1,Branched,Enzyme,1,0.02663577439915096,0.01660746018962096,5.82,4.68346905576383,3.934451557266015,3.4093517625634666,3.022804012470489,2.726363744247752,2.496201978256277,2.313168504378543,2.1636365898830667,2.0409676656237554,1.9392825692291684,2.16,2.16,2.16,2.16,2.16,2.16,2.16,2.16,2.16,2.16,2.16,0.6,1.1682654721180852,1.5427742213669924,1.8053241187182665,1.9985979937647553,2.1468181278761236,2.2618990108718613,2.353415747810728,2.428181705058466,2.489516167188122,2.5403587153854157,second
+273,9.78,97,1.6680440111283904e+17,4.27,1.451613827240533,194.1,Ring,Enzyme,0,0.045917311616377895,0.03089465187156678,4.32,1.913523425361653,1.42513087730616,1.1847488227900655,1.0366605823236368,0.93185419326471,0.8542225210597225,0.7934177213468075,0.7434931926360365,0.7019884005450877,0.6667331640855961,0.22,0.22,0.22,0.22,0.22,0.22,0.22,0.22,0.22,0.22,0.22,2.34,3.142158858212782,3.30495637423128,3.385083725736645,3.4344464725587875,3.46938193557843,3.4952591596467593,3.515527426217731,3.532168935787988,3.546003866484971,3.5577556119714684,third
+274,12.58,94,3.246158843416763e+17,1.78,0.5766133643039938,71.6,Branched,None,0,0.38977103028988475,0.2918555149426031,1.21,0.6275846773767784,0.4767291283195347,0.3995360595720103,0.35066077213846963,0.31630487468110163,0.29054802203974045,0.26994664639617244,0.25326076821640814,0.23943623301662365,0.22762637412755565,3.58,3.58,3.58,3.58,3.58,3.58,3.58,3.58,3.58,3.58,3.58,1.32,1.5141384408744072,1.5644236238934885,1.59015464680933,1.6064464092871769,1.6178983751062996,1.62648399265342,1.6333511178679425,1.6389130772611973,1.6435212556611256,1.6474578752908149,third
+273,9.63,97,2.2630273982035805e+17,2.8,1.0296194171811581,181.1,Linear,Acid,0,0.06229579887968347,0.031975943805330094,2.57,1.495195625418299,1.1579791991827597,0.9791633234359775,0.8637401399097766,0.7813212983759976,0.7183630288974537,0.6690852405975374,0.6287527525744119,0.5945900473669717,0.5654532055914075,0.68,0.68,0.68,0.68,0.68,0.68,0.68,0.68,0.68,0.68,0.68,3.72,4.078268124860567,4.190673600272413,4.250278892188008,4.288753286696741,4.3162262338746675,4.337212323700848,4.353638253134155,4.36708241580853,4.3784699842110095,4.3881822648028646,third
+279,7.05,100,3.0006894696778854e+17,0.73,-0.31471074483970024,50.5,Unknown,Enzyme,0,0.0568135169310742,0.04239416360869452,3.49,3.334927422944861,3.1867452763384225,3.0451471936096453,2.9098386931594877,2.780542269064174,2.6569924868369332,2.538934285235978,2.426122976264503,2.3183242451706865,2.21531415044769,0.04,0.04,0.04,0.04,0.04,0.04,0.04,0.04,0.04,0.04,0.04,1.17,1.17,1.17,1.17,1.17,1.17,1.17,1.17,1.17,1.17,1.17,first
+280,1.02,93,3.967060098088757e+17,0.84,-0.1743533871447778,121.7,Ring,Acid,1,1.772064794580084,0.9062019002933998,4.45,2.2729227323443957,2.0167876482334197,1.987175231826872,1.983603394110009,1.982786764493573,1.9817360636015158,1.983935220782225,1.981757013119479,1.9839502050660303,1.9830723662729715,2.13,2.13,2.13,2.13,2.13,2.13,2.13,2.13,2.13,2.13,2.13,1.41,3.5870772676556046,3.8432123517665806,3.8728247681731283,3.8763966058899912,3.877213235506427,3.878263936398484,3.8760647792177747,3.8782429868805206,3.87604979493397,3.8769276337270284,first
+270,13.66,100,2.650148164508849e+16,2.42,0.883767540168595,70.3,Unknown,None,0,0.001192362921737727,0.0007084607373814112,9.03,8.354326850502437,7.807710040265378,7.352482500005974,6.968251497733208,6.639412053811219,6.352773459043203,6.09767295909328,5.869230855187227,5.663930315699345,5.47807808573129,4.87,4.532163425251219,4.258855020132689,4.031241250002987,3.8391257488666044,3.6747060269056098,3.5313867295216017,3.4038364795466403,3.289615427593614,3.1869651578496727,3.0940390428656452,0.86,1.197836574748781,1.4711449798673104,1.6987587499970127,1.8908742511333954,2.0552939730943898,2.198613270478398,2.3261635204533597,2.440384572406386,2.5430348421503273,2.6359609571343547,third
+280,2.3,95,1.4390049386627771e+17,4.71,1.5496879080283263,184.6,Ring,Base,0,0.2722419553150729,0.16130571912580716,8.11,0.8714915481685368,0.6183515790494478,0.50507312273941,0.43771395849084455,0.39150818986569486,0.35770824083738634,0.33102239848749504,0.30961989946463786,0.29204747798610725,0.27713244157269556,3.95,3.95,3.95,3.95,3.95,3.95,3.95,3.95,3.95,3.95,3.95,4.28,6.692836150610487,6.77721614031685,6.8149756257535286,6.83742868050305,6.8528306033781,6.8640972530542035,6.8729925338375,6.880126700178453,6.88598417400463,6.890955852809101,third
+278,4.88,100,4.056685832524033e+17,4.42,1.4861396960896067,149.6,Ring,None,0,0.06577394701224312,0.04840064992391962,2.34,2.2873808423902053,2.234761684780411,2.1821425271706163,2.1295233695608218,2.0769042119510273,2.0242850543412327,1.9716658967314382,1.9190467391216437,1.8664275815118492,1.8138084239020544,2.67,2.67,2.67,2.67,2.67,2.67,2.67,2.67,2.67,2.67,2.67,3.5,3.5526191576097945,3.605238315219589,3.6578574728293836,3.710476630439178,3.7630957880489726,3.815714945658767,3.8683341032685616,3.920953260878356,3.9735724184881507,4.026191576097945,zero
+271,5.08,93,4.86750267390347e+17,1.03,0.02955880224154443,186.0,Ring,Base,1,0.5769233462760477,0.35182606057290045,3.7,1.2829533454108346,1.2811715429148085,1.2814711591160495,1.2810456770857641,1.281612731443364,1.2825497815369435,1.2834197061852528,1.2835023913483377,1.2827364239260985,1.2828456436937672,1.68,1.68,1.68,1.68,1.68,1.68,1.68,1.68,1.68,1.68,1.68,2.65,3.4556822181963884,3.4562761523617307,3.4561762802946503,3.4563181076380785,3.4561290895188783,3.4558167394876853,3.4555267646049153,3.4554992028838876,3.455754525357967,3.455718118768744,third
+279,3.2,92,3.613633621680809e+17,4.21,1.43746264769429,70.6,Branched,None,0,2.1527633382997133,1.5818669141562345,6.71,0.8839715075328913,0.7785626251242439,0.7479481300211404,0.7369690974128277,0.7327552851511872,0.731097219196419,0.7304385234271319,0.7301754334088443,0.7300696988634837,0.7300283295923629,2.99,0.07698575376644581,0.02428131256212211,0.00897406501057035,0.003484548706414019,0.0013776425755937971,0.0005486095982097446,0.00021926171356617533,8.771670442239037e-05,3.4849431742069224e-05,1.4164796181656581e-05,3.19,6.1030142462335535,6.155718687437877,6.171025934989428,6.176515451293585,6.178622357424405,6.1794513904017885,6.179780738286432,6.179912283295575,6.179965150568256,6.179985835203817,third
+277,5.71,97,4.443556440610259e+17,1.59,0.4637340162321402,133.7,Branched,Acid,0,0.2267344048918826,0.13948940317655253,6.15,5.968612476086494,5.787224952172988,5.605837428259482,5.424449904345976,5.24306238043247,5.061674856518963,4.880287332605457,4.698899808691952,4.517512284778445,4.336124760864939,4.01,4.01,4.01,4.01,4.01,4.01,4.01,4.01,4.01,4.01,4.01,2.48,2.661387523913506,2.842775047827012,3.0241625717405185,3.2055500956540244,3.3869376195675303,3.5683251434810366,3.749712667394543,3.931100191308049,4.112487715221555,4.293875239135061,zero
+272,11.61,97,3.789658514480747e+17,4.49,1.501852701754163,165.7,Branched,Base,0,0.0891523676956641,0.06513284510985706,2.86,2.6631235215446782,2.4797997935171585,2.309090531475258,2.15011252856036,2.0020799293483007,1.8642532072599551,1.7359325593820505,1.6164579064671605,1.5052088929337097,1.4016048868659698,3.57,3.57,3.57,3.57,3.57,3.57,3.57,3.57,3.57,3.57,3.57,4.83,4.83,4.83,4.83,4.83,4.83,4.83,4.83,4.83,4.83,4.83,first
+274,7.52,98,3.820192005545523e+16,0.89,-0.11653381625595151,84.6,Unknown,None,0,0.007924063571214585,0.004148091385261695,2.32,2.30533945554005,2.2907715539958557,2.2762957099425276,2.261911341643326,2.2476178710135954,2.233414723690449,2.2193013289312113,2.2052771195622354,2.1913415319789054,2.1774940061456363,4.31,4.31,4.31,4.31,4.31,4.31,4.31,4.31,4.31,4.31,4.31,3.09,3.1046605444599495,3.119228446004144,3.133704290057472,3.1480886583566736,3.1623821289864043,3.1765852763095506,3.1906986710687884,3.2047228804377643,3.2186584680210943,3.2325059938543634,first
+280,10.36,93,4.726910210809852e+17,1.54,0.43178241642553783,22.0,Unknown,None,0,2.111485826935877,1.1197918730004646,5.68,0.31429215366741164,0.22233196204328975,0.1815893910955662,0.1573912217353718,0.14068837776253093,0.12845972496542551,0.11899890631128977,0.11127794139063094,0.1048947406403133,0.09949672758039532,3.4,3.4,3.4,3.4,3.4,3.4,3.4,3.4,3.4,3.4,3.4,1.05,2.8385692821108637,2.8692226793189044,2.882803536301479,2.890869592754877,2.896437207412491,2.9005134250115256,2.903667031229571,2.906240686203124,2.9083684197865636,2.9101677574732028,third
+277,9.14,96,4.378319248719722e+17,3.71,1.3110318766193438,161.2,Ring,Acid,1,0.34488449341602345,0.22407336325859864,4.54,2.4801824276829985,2.036869103291533,1.9025532067666053,1.8580207305644172,1.84277111377155,1.8370985449684685,1.8355886145931881,1.834588104327033,1.8346630458490492,1.8345138014813884,4.05,1.9901824276829982,1.5468691032915327,1.4125532067666051,1.368020730564417,1.3527711137715497,1.3470985449684683,1.345588614593188,1.3445881043270327,1.344663045849049,1.3445138014813882,1.09,3.1498175723170023,3.593130896708468,3.727446793233396,3.771979269435584,3.7872288862284513,3.792901455031533,3.7944113854068133,3.7954118956729683,3.7953369541509523,3.7954861985186126,second
+272,6.56,98,3.302040313032882e+17,2.49,0.9122827104766164,83.3,Ring,Acid,0,0.04991937296509004,0.032465113278841336,5.77,4.072737402464639,3.5586963021869886,3.3094010363170883,3.1662992690567973,3.0777036698485367,3.019498993299812,2.9805939454825214,2.953713565023971,2.9351130091028015,2.9220674581929664,1.44,0.5913687012323193,0.33434815109349403,0.20970051815854396,0.13814963452839837,0.09385183492426823,0.06474949664990609,0.04529697274126057,0.031856782511985635,0.02255650455140066,0.016033729096483304,0.27,1.1186312987676805,1.3756518489065057,1.500299481841456,1.5718503654716014,1.6161481650757317,1.645250503350094,1.6647030272587393,1.6781432174880144,1.6874434954485993,1.6939662709035168,third
+279,6.45,93,4.227555168988628e+17,4.49,1.501852701754163,51.3,Ring,Enzyme,1,1.6364915246273748,1.178897858659212,8.69,4.300505605136118,3.839728772179954,3.7907841041815544,3.7856223581390074,3.7847292496292786,3.7866630536081636,3.783150053000479,3.786936939939227,3.7873818004202753,3.785954444833291,4.49,4.49,4.49,4.49,4.49,4.49,4.49,4.49,4.49,4.49,4.49,0.35,4.739494394863883,5.200271227820048,5.2492158958184465,5.2543776418609935,5.255270750370723,5.253336946391838,5.256849946999522,5.253063060060774,5.252618199579726,5.25404555516671,first
+274,5.15,93,2.0646015043771974e+17,1.16,0.14842000511827322,193.1,Unknown,Base,1,0.38452119812235813,0.3128528892471893,9.35,2.4754627076785263,2.348069756485676,2.3431413751493047,2.343172028333417,2.342989753411471,2.342033919024701,2.342254190610566,2.3415427858004487,2.3394389187542353,2.3437395647668016,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,3.24,6.677268646160737,6.740965121757163,6.743429312425349,6.743413985833292,6.743505123294265,6.7439830404876515,6.743872904694718,6.744228607099777,6.7452805406228835,6.7431302176166,second
+276,9.71,100,3.311388512470386e+17,0.92,-0.08338160893905101,165.4,Ring,Acid,0,0.0392403068747508,0.03288745841517024,6.25,4.489296675128738,3.5115141935871517,2.878754392944404,2.4387823787219434,2.1148616964548057,1.8693811003503085,1.6735857563363714,1.5143826394912674,1.3831644318967407,1.2728396229272705,3.73,3.73,3.73,3.73,3.73,3.73,3.73,3.73,3.73,3.73,3.73,2.69,3.570351662435631,4.059242903206425,4.375622803527798,4.595608810639028,4.757569151772597,4.880309449824845,4.978207121831814,5.057808680254366,5.12341778405163,5.1785801885363645,second
+280,10.69,93,3.2008119908196824e+16,0.73,-0.31471074483970024,91.0,Ring,Base,1,0.14297858118494394,0.11905934540767703,2.2,1.5246027577379797,1.4810422973146653,1.4766689934154655,1.4763451220027135,1.475399245231546,1.4760056657258882,1.4769522064790628,1.4742127712973878,1.477498550423695,1.476711812766876,4.51,4.51,4.51,4.51,4.51,4.51,4.51,4.51,4.51,4.51,4.51,3.62,3.8451324140873404,3.8596525675617785,3.8611103355281786,3.8612182926657623,3.8615335849228183,3.8613314447580374,3.861015931173646,3.8619290762342042,3.860833816525435,3.861096062411041,third
+277,5.19,100,2.1491446326336182e+17,3.19,1.1600209167967532,58.3,Unknown,None,0,0.029806694282602214,0.017853062113722402,6.67,6.512832780156088,6.35936893936075,6.209521034030325,6.0632039377148,5.920334667635851,5.780832052424183,5.644616732119536,5.511611158170675,5.3817395934354,5.254928112180538,3.14,3.14,3.14,3.14,3.14,3.14,3.14,3.14,3.14,3.14,3.14,0.71,0.8671672198439123,1.02063106063925,1.1704789659696746,1.3167960622851997,1.4596653323641493,1.5991679475758165,1.7353832678804642,1.8683888418293244,1.9982604065646,2.1250718878194617,first
+280,12.91,100,3.152489831123639e+17,1.77,0.5709795465857378,142.2,Linear,Acid,0,0.06962277799289074,0.05584509948344452,3.7,3.499550689563816,3.309960886151694,3.1306404130927854,2.961027639866409,2.800604526718731,2.648878055289347,2.5053777515942626,2.3696556860258973,2.241286473353081,2.1198672727210575,2.05,2.05,2.05,2.05,2.05,2.05,2.05,2.05,2.05,2.05,2.05,4.85,5.050449310436184,5.240039113848306,5.419359586907214,5.588972360133591,5.749395473281268,5.901121944710653,6.044622248405737,6.1803443139741026,6.308713526646919,6.430132727278942,first
+270,5.75,92,3.7493598624728e+17,4.33,1.4655675420143985,90.4,Ring,Base,0,0.5954487236523687,0.3683377499777465,3.16,1.962316142285363,1.2183502320252506,0.7567539942922211,0.4703252387719756,0.2921110578388288,0.18158322316512748,0.11276102857228587,0.07011109100894605,0.043530446915158186,0.027077950155435057,3.38,3.38,3.38,3.38,3.38,3.38,3.38,3.38,3.38,3.38,3.38,2.61,3.807683857714637,4.55164976797475,5.013246005707779,5.299674761228024,5.4778889421611705,5.588416776834872,5.657238971427714,5.699888908991053,5.726469553084841,5.742922049844563,first
+279,8.95,90,2.8625045985411504e+17,4.15,1.423108334242607,26.4,Ring,Acid,0,4.038813052103269,2.2933710816951636,8.37,0.15244972004758034,0.07699118004196633,0.051484813328702604,0.038668144317086435,0.030942823545691993,0.025819992772884062,0.022135642826410187,0.019364490698503812,0.017232148343578522,0.015514100270699062,2.48,2.48,2.48,2.48,2.48,2.48,2.48,2.48,2.48,2.48,2.48,4.13,8.23877513997621,8.276504409979015,8.289257593335646,8.295665927841455,8.299528588227153,8.302090003613557,8.303932178586795,8.305317754650748,8.30638392582821,8.30724294986465,second
+278,5.47,91,1.1044197406099627e+17,1.45,0.371563556432483,192.5,Ring,None,0,0.8792801356832097,0.7240656171315409,8.54,0.4870843889048851,0.34450053173768,0.2814313087605846,0.24385029330125052,0.21804590856954728,0.19902723572587,0.18439856350379133,0.17245725429617856,0.16255860996437638,0.15418952538320796,3.83,3.83,3.83,3.83,3.83,3.83,3.83,3.83,3.83,3.83,3.83,1.23,3.9143052036983716,3.9618331560874402,3.9828562304131387,3.99538323556625,4.003984697143484,4.010324254758044,4.01520047883207,4.019180915234608,4.022480463345208,4.025270158205598,third
+276,2.36,95,2.6308424483062464e+17,2.13,0.7561219797213337,106.2,Linear,None,0,0.275505951469358,0.17861254512527358,7.01,1.7193569285909356,0.9788863766765019,0.6845748272619795,0.526802400173306,0.4274380242792992,0.3602595954100245,0.31077013024397904,0.27348260701349114,0.24436301018564358,0.22061253182608728,1.78,1.78,1.78,1.78,1.78,1.78,1.78,1.78,1.78,1.78,1.78,2.86,5.505321535704532,5.875556811661749,6.02271258636901,6.101598799913346,6.15128098786035,6.184870202294987,6.20961493487801,6.228258696493254,6.242818494907178,6.254693734086955,second
+272,13.25,99,4.2550402353620064e+17,3.44,1.235471471385307,142.7,Linear,None,0,0.04133751524006103,0.026076565239957984,7.4,7.1592840758128675,6.926398456286852,6.70108840992498,6.483106788824963,6.272215743429267,6.068185376390058,5.870792643971653,5.679821356050513,5.4950621761152485,5.316312621266614,2.03,2.03,2.03,2.03,2.03,2.03,2.03,2.03,2.03,2.03,2.03,1.88,1.88,1.88,1.88,1.88,1.88,1.88,1.88,1.88,1.88,1.88,first
+279,8.52,94,4.707403623876445e+17,3.67,1.3001916620664788,93.1,Ring,Base,1,1.184072296656942,0.8022330719522415,4.51,1.2930252654951395,1.2912020278717191,1.2932652093242718,1.291187983851669,1.292715523472185,1.2917148285631785,1.2920510538488557,1.2925964037221875,1.2914095937341092,1.2930194825431813,3.64,3.64,3.64,3.64,3.64,3.64,3.64,3.64,3.64,3.64,3.64,2.11,3.1823249115016203,3.1829326573760937,3.182244930225242,3.1829373387161097,3.1824281588426038,3.1827617238122734,3.1826496487170477,3.182467865425937,3.182863468755296,3.1823268391522723,third
+274,3.49,92,9.436794366357266e+16,2.56,0.9400072584914712,148.5,Unknown,Enzyme,1,0.2726169135249349,0.2426806206304283,4.72,3.0012310971931853,2.9636521647205383,2.9619162397299483,2.961494551342343,2.961672289484206,2.9619291961233807,2.962449277157703,2.9629255158422017,2.962846337742191,2.9626286244549234,1.3,0.4406155485965929,0.42182608236026947,0.42095811986497444,0.42074727567117176,0.4208361447421035,0.4209645980616908,0.4212246385788519,0.4214627579211013,0.42142316887109593,0.42131431222746213,3.27,4.129384451403408,4.148173917639731,4.149041880135026,4.149252724328828,4.149163855257896,4.149035401938308,4.148775361421148,4.148537242078898,4.148576831128905,4.148685687772538,third
+270,11.61,96,1.3778883996984227e+17,4.9,1.589235205116581,139.3,Branched,None,0,0.036832128657054986,0.022974865904121126,9.38,2.3087496549346254,1.6587733206318063,1.3608648344635452,1.1823830010964116,1.0585878602455123,0.9680990468815914,0.8967737204161964,0.8390830063928691,0.7914578084433478,0.7510862667589626,2.71,2.71,2.71,2.71,2.71,2.71,2.71,2.71,2.71,2.71,2.71,4.31,6.667083448355126,6.883742226456065,6.983045055178819,7.04253899963453,7.08380404658483,7.113966984372804,7.1377420931946025,7.156972331202378,7.172847397185552,7.186304577747014,third
+270,9.81,95,3.635745258830881e+17,1.11,0.10436001532424286,197.3,Linear,Base,1,0.15173118110860037,0.07910067332826665,1.19,1.467797847956423,1.610243671181832,1.672979676981954,1.6984435647124627,1.7083323382065523,1.712495782321119,1.7137257531517647,1.7146029195431423,1.7145728265615288,1.7146999679716504,0.37,0.5088989239782117,0.580121835590916,0.611489838490977,0.6242217823562314,0.6291661691032762,0.6312478911605596,0.6318628765758824,0.6323014597715712,0.6322864132807644,0.6323499839858252,3.83,3.691101076021788,3.619878164409084,3.5885101615090234,3.575778217643769,3.5708338308967242,3.568752108839441,3.568137123424118,3.567698540228429,3.5677135867192358,3.5676500160141753,third
+270,1.41,92,2.197802952780479e+17,4.21,1.43746264769429,138.7,Linear,None,1,0.3490406392224607,0.29399148401559255,6.15,5.239260405056579,4.695064130843586,4.369411267039384,4.175850981770436,4.058703696387322,3.9903035237553452,3.9478487503405653,3.9230281270240437,3.909011930220754,3.8998266286209353,1.17,1.17,1.17,1.17,1.17,1.17,1.17,1.17,1.17,1.17,1.17,2.35,3.2607395949434212,3.8049358691564152,4.130588732960617,4.324149018229566,4.441296303612679,4.509696476244657,4.5521512496594365,4.5769718729759585,4.5909880697792484,4.600173371379067,first
+273,12.2,97,4.672994896069309e+17,4.6,1.5260563034950492,171.5,Ring,Base,1,0.1286365116226194,0.09157728018710681,6.15,2.880891678628436,2.5501252405848094,2.4609007158884575,2.433247009789562,2.424030584577967,2.420980320788638,2.420162685026801,2.4196596889573825,2.419590261088522,2.419710598247219,2.3,0.6654458393142175,0.5000626202924043,0.4554503579442283,0.4416235048947806,0.437015292288983,0.43549016039431837,0.4350813425133999,0.4348298444786906,0.4347951305442603,0.43485529912360893,1.71,3.344554160685782,3.509937379707595,3.5545496420557714,3.5683764951052193,3.572984707711017,3.5745098396056814,3.5749186574865996,3.575170155521309,3.5752048694557397,3.575144700876391,third
+275,13.07,95,7.776697850506931e+16,3.69,1.3056264580524357,25.2,Linear,Base,1,0.07005670113438074,0.03915209046867148,7.61,7.101081274733284,6.789626852068918,6.592816274737685,6.464472087990044,6.380339072167536,6.3241505479316995,6.286537836512349,6.261397670045077,6.244299560995268,6.232775404082533,1.56,1.0510812747332834,0.7396268520689177,0.5428162747376849,0.4144720879900436,0.3303390721675353,0.2741505479316989,0.23653783651234836,0.21139767004507581,0.19429956099526674,0.18277540408253234,0.36,0.8689187252667165,1.1803731479310824,1.3771837252623151,1.5055279120099565,1.5896609278324647,1.6458494520683011,1.6834621634876519,1.7086023299549244,1.7257004390047335,1.737224595917468,second
+277,1.99,98,3.138099116457982e+17,1.08,0.0769610411361284,98.8,Branched,Acid,1,0.10372271182984295,0.06601415804680674,1.33,1.4904551151697625,1.6212688796338497,1.7258671850855043,1.807772660808444,1.8707422060936745,1.918825799587379,1.9555637716901249,1.983172482956458,2.0036778243646465,2.01903856485453,0.19,0.35045511516976247,0.48126887963384946,0.5858671850855042,0.6677726608084439,0.7307422060936744,0.7788257995873789,0.8155637716901247,0.843172482956458,0.8636778243646464,0.8790385648545295,3.73,3.5695448848302376,3.4387311203661506,3.334132814914496,3.252227339191556,3.189257793906326,3.141174200412621,3.1044362283098756,3.0768275170435424,3.0563221756353536,3.0409614351454706,second
+279,10.43,97,4.9388705381157664e+17,3.65,1.2947271675944,82.0,Unknown,Acid,0,0.340832769623044,0.20190090840550123,5.17,3.9361066857120246,2.996769765800547,2.279590649239652,1.7351003420115583,1.3231996940195592,1.0081010759341336,0.7669164471667014,0.5841080634602482,0.44536577064468064,0.33910337991986783,2.24,2.24,2.24,2.24,2.24,2.24,2.24,2.24,2.24,2.24,2.24,0.47,0.47,0.47,0.47,0.47,0.47,0.47,0.47,0.47,0.47,0.47,first
+276,6.6,97,4.1940408422027654e+17,2.19,0.7839015438284094,92.2,Branched,Base,0,0.18371441952276052,0.14868022914921758,9.01,4.709682720809339,4.652434069316024,4.650102040789506,4.650004470777835,4.649999893610396,4.649998897827859,4.6499992050706105,4.64999983696753,4.6500012477369825,4.650002653561927,2.18,0.02984136040466926,0.0012170346580114527,5.1020394752625176e-05,2.235388917720801e-06,-5.319480259516862e-08,-5.510860708602254e-07,-3.97464694974701e-07,-8.15162352390705e-08,6.238684910918795e-07,1.326780963235536e-06,4.2,6.35015863959533,6.378782965341989,6.379948979605248,6.379997764611083,6.380000053194803,6.380000551086072,6.380000397464696,6.380000081516236,6.37999937613151,6.3799986732190375,third
+279,1.49,90,1.0814230960743322e+17,1.15,0.13976194237515863,25.4,Linear,Base,0,1.5258196327429066,1.0358166634088946,6.86,2.02715061211569,0.5982574122680058,0.17664823880591685,0.05223000190262067,0.015438049616552676,0.004556253712650338,0.0013452076551862706,0.00039765483536877545,0.0001176827731741473,3.484595418458285e-05,4.86,4.86,4.86,4.86,4.86,4.86,4.86,4.86,4.86,4.86,4.86,3.6,3.6,3.6,3.6,3.6,3.6,3.6,3.6,3.6,3.6,3.6,first
+277,3.31,96,3.036610814129242e+17,3.79,1.332366019094335,156.3,Branched,Base,0,0.23919680654598696,0.20332339737843902,5.26,4.343891420981025,3.5873619803646593,2.9612505923987076,2.443731753744471,2.017990852252141,1.668231900893189,1.3796731284842658,1.1396035004171914,0.941124461815068,0.7772353849154696,3.68,3.68,3.68,3.68,3.68,3.68,3.68,3.68,3.68,3.68,3.68,0.19,0.19,0.19,0.19,0.19,0.19,0.19,0.19,0.19,0.19,0.19,first
+273,11.29,100,5.090744435499509e+16,3.69,1.3056264580524357,62.8,Ring,Acid,0,0.0037369946694518026,0.0019726621482373274,4.46,4.3441535249257415,4.234172989641826,4.129623571548237,4.030109210521376,3.93527834473581,3.8448117533477384,3.7584141406492524,3.675814136068331,3.5967642941688442,3.5210410946505504,4.04,4.04,4.04,4.04,4.04,4.04,4.04,4.04,4.04,4.04,4.04,3.91,3.9679232375371294,4.022913505179087,4.075188214225881,4.124945394739312,4.172360827632095,4.217594123326131,4.2607929296753735,4.302092931965834,4.341617852915578,4.379479452674724,second
+275,7.11,92,1.7812148760677712e+17,2.8,1.0296194171811581,168.0,Branched,None,1,0.5959691623237601,0.30786118060438655,7.91,2.043196756298028,1.999615961925619,1.998950053536633,1.9989195866316047,2.000911063090922,1.9986126086651872,1.996257310701326,1.9982663866329677,2.0000290834548107,2.000166330719724,0.85,0.85,0.85,0.85,0.85,0.85,0.85,0.85,0.85,0.85,0.85,4.78,7.713401621850985,7.73519201903719,7.7355249732316835,7.735540206684197,7.734544468454539,7.735693695667407,7.736871344649337,7.735866806683517,7.734985458272596,7.734916834640139,second
+280,4.0,92,3.4630847122770144e+16,1.4,0.3364722366212129,79.7,Linear,Base,0,0.23770206600806787,0.16344201246602266,3.86,3.191539153459471,2.638849922916488,2.180884227335822,1.802158322643954,1.4901922886750774,1.233353825959964,1.0208582557259636,0.8440790450807922,0.6979087657560996,0.5770698632303568,0.63,0.63,0.63,0.63,0.63,0.63,0.63,0.63,0.63,0.63,0.63,4.96,5.628460846540529,6.181150077083512,6.639115772664177,7.017841677356046,7.329807711324922,7.586646174040036,7.799141744274037,7.975920954919207,8.1220912342439,8.242930136769642,first
+270,7.87,92,3.863935832933062e+17,1.41,0.34358970439007686,44.4,Unknown,Base,0,0.6136449272375852,0.4270327964210739,9.62,9.129084058209932,8.638168116419862,8.147252174629795,7.656336232839726,7.165420291049657,6.674504349259589,6.18358840746952,5.692672465679452,5.201756523889383,4.710840582099315,2.74,2.74,2.74,2.74,2.74,2.74,2.74,2.74,2.74,2.74,2.74,0.23,0.7209159417900683,1.2118318835801365,1.702747825370205,2.193663767160273,2.684579708950342,3.1754956507404106,3.666411592530479,4.157327534320547,4.648243476110617,5.139159417900684,zero
+277,7.66,98,3.337101557559088e+17,2.23,0.8020015854720274,32.0,Branched,Enzyme,0,0.11030028382032335,0.06178207609157633,7.73,7.570983198046432,7.5700061766739255,7.569999911491397,7.570002714742846,7.569999470572916,7.570001629108476,7.569999212102108,7.570000288677167,7.569998259310126,7.57000367829357,0.08,0.0004915990232153975,3.088336962344333e-06,-4.425430164960055e-08,1.357371422971507e-06,-2.647135422756317e-07,8.145542378870682e-07,-3.9394894620262007e-07,1.443385832865589e-07,-8.703449367284512e-07,1.8391467849141103e-06,4.83,4.909508400976784,4.909996911663036,4.9100000442543,4.909998642628575,4.910000264713541,4.909999185445761,4.910000393948945,4.9099998556614155,4.910000870344936,4.909998160853214,third
+273,12.33,94,3.702871155772087e+17,1.84,0.6097655716208943,55.7,Ring,Enzyme,0,0.38223927868052504,0.24531847540775326,7.13,5.251405720998298,3.867895537020175,2.846003997305025,2.096696560633558,1.5473991746730795,1.139124226264952,0.8387954811526858,0.6187793853788548,0.4558826182898378,0.33578686734878566,1.75,1.75,1.75,1.75,1.75,1.75,1.75,1.75,1.75,1.75,1.75,2.14,2.14,2.14,2.14,2.14,2.14,2.14,2.14,2.14,2.14,2.14,first
+280,1.92,96,8.268280365008038e+16,4.67,1.541159071680806,162.5,Unknown,None,0,0.10180027282155299,0.09051560188358818,2.72,1.2685067291199792,0.949943563465636,0.7920289532380683,0.6932417842862457,0.6242286216758105,0.5720164775264378,0.5314940098820784,0.49852327949364306,0.47075738284477714,0.44716867851631426,4.54,4.54,4.54,4.54,4.54,4.54,4.54,4.54,4.54,4.54,4.54,3.66,4.14383109029334,4.250018812178122,4.30265701558731,4.335586071904585,4.3585904594413964,4.375994507491187,4.389501996705974,4.400492240168785,4.40974753905174,4.4176104404945615,third
+275,1.33,99,2.9717117729357504e+17,1.79,0.5822156198526637,90.2,Unknown,Enzyme,0,0.04654329435446178,0.031281116358524506,1.6,1.1118042960515364,0.8644285821900852,0.7086917025987874,0.6015614741279571,0.5241272051192176,0.465004048437938,0.41769014654329323,0.37953620548064526,0.34817417340755624,0.3216315640619006,3.84,3.5959021480257682,3.4722142910950424,3.3943458512993936,3.340780737063978,3.3020636025596084,3.272502024218969,3.2488450732716463,3.2297681027403224,3.2140870867037776,3.20081578203095,3.4,3.6440978519742315,3.767785708904957,3.8456541487006057,3.8992192629360214,3.937936397440391,3.9674979757810305,3.991154926728353,4.010231897259677,4.025912913296222,4.03918421796905,third
+279,8.29,90,4.218028243402191e+16,2.02,0.7030975114131134,51.6,Branched,Enzyme,0,0.5951371233525755,0.42893110180273786,6.95,0.9146375467832306,0.49017039336223056,0.3346594832201536,0.25381881366048686,0.20465438138726288,0.1712991355182063,0.14749483875935265,0.1293119894170799,0.11516328104965864,0.10381527315826355,2.42,2.42,2.42,2.42,2.42,2.42,2.42,2.42,2.42,2.42,2.42,3.0,6.017681226608385,6.229914803318884,6.307670258389924,6.348090593169756,6.372672809306368,6.389350432240896,6.401252580620323,6.410344005291459,6.417418359475169,6.423092363420867,second
+277,1.59,92,6.170437994419583e+16,1.38,0.3220834991691132,135.6,Linear,Acid,0,0.27605798179375857,0.19959985031736055,6.78,1.7015105642593407,0.9723167550030949,0.6808839846756515,0.5243385821449947,0.4257253099063928,0.3588809580196677,0.3096528578353302,0.2726108791459866,0.24357822182832894,0.21991807160713864,0.97,0.97,0.97,0.97,0.97,0.97,0.97,0.97,0.97,0.97,0.97,1.42,3.95924471787033,4.323841622498453,4.469558007662175,4.547830708927503,4.597137345046804,4.630559520990166,4.655173571082336,4.673694560427007,4.688210889085836,4.700040964196432,second
+280,13.79,90,2.6363019602515942e+17,1.29,0.25464221837358075,29.2,Linear,Base,0,4.272509536567879,2.580354479474538,3.44,0.11681886726191343,0.06282350809943037,0.043152624095210465,0.03288517179338481,0.026620583658580513,0.022339322323759906,0.019281465371619726,0.01694036304656519,0.015108508805619142,0.013636091636927007,2.76,1.098409433630957,1.0714117540497154,1.0615763120476056,1.0564425858966926,1.0533102918292903,1.05116966116188,1.04964073268581,1.0484701815232826,1.0475542544028096,1.0468180458184635,4.66,6.321590566369044,6.348588245950285,6.358423687952396,6.363557414103308,6.366689708170711,6.36883033883812,6.370359267314191,6.371529818476718,6.372445745597191,6.373181954181537,third
+270,13.42,94,1.6354657588569395e+17,3.8,1.33500106673234,101.7,Branched,None,0,0.10655932599316195,0.09393658416683154,9.5,8.962438754178727,8.723609803037439,8.612183818233929,8.559248511126704,8.53379120768231,8.521496864302852,8.515566465901752,8.512698898419984,8.511307168593635,8.510633234502896,0.99,0.452438754178727,0.21360980303744007,0.10218381823392927,0.04924851112670475,0.023791207682310432,0.011496864302851894,0.0055664659017537355,0.002698898419985239,0.0013071685936372932,0.0006332345028957734,4.33,4.867561245821274,5.10639019696256,5.2178161817660715,5.270751488873296,5.296208792317691,5.308503135697149,5.314433534098247,5.317301101580015,5.318692831406363,5.319366765497104,second
+280,8.18,95,3.2170742577405286e+17,2.63,0.9669838461896731,102.1,Unknown,None,0,0.6086307022232621,0.3726756684482803,7.52,4.6209478902588295,2.8385479650140084,1.745368738682458,1.0726601319896472,0.659718620067263,0.40544545902202944,0.24938055458100594,0.15326778426881582,0.09427183371139848,0.05798174599285852,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,4.36,7.25905210974117,9.04145203498599,10.134631261317542,10.807339868010354,11.220281379932738,11.474554540977971,11.630619445418994,11.726732215731184,11.785728166288601,11.822018254007142,first
+278,11.06,96,1.0972324312865824e+17,1.55,0.4382549309311553,142.4,Ring,None,1,0.10041205685803127,0.06337001644316828,6.62,3.3468918298690165,2.392480913245679,1.9816354940646799,1.7774902387711398,1.668404230032932,1.607185132341964,1.5727971396341438,1.5532005254657375,1.5415012333043703,1.5349118390861851,4.99,4.99,4.99,4.99,4.99,4.99,4.99,4.99,4.99,4.99,4.99,1.14,2.7765540850654915,3.25375954337716,3.45918225296766,3.5612548806144297,3.6157978849835337,3.6464074338290176,3.663601430182928,3.673399737267131,3.679249383347815,3.6825440804569074,second
+278,13.78,95,1.0420639997767422e+17,2.43,0.8878912573524571,54.4,Unknown,Base,1,0.14698830941521882,0.11192200407748368,7.42,7.144164719407881,7.045002577236161,7.007986719030473,6.994360136931852,6.989089986065303,6.987122572838028,6.986400030527853,6.986177060144401,6.986007756550556,6.986009000068889,1.01,0.7341647194078813,0.6350025772361616,0.5979867190304736,0.584360136931852,0.579089986065303,0.5771225728380269,0.5764000305278522,0.5761770601444003,0.576007756550555,0.5760090000688882,4.85,5.125835280592119,5.224997422763838,5.262013280969526,5.275639863068148,5.2809100139346965,5.282877427161972,5.283599969472147,5.2838229398555985,5.283992243449443,5.2839909999311105,second
+277,4.97,93,2.2788965021743478e+17,2.76,1.0152306797290584,197.1,Ring,Base,0,0.6604339640949356,0.5009608360710307,7.57,7.041652828724052,6.513305657448104,5.984958486172155,5.4566113148962065,4.928264143620258,4.399916972344309,3.871569801068361,3.3432226297924124,2.8148754585164646,2.2865282872405155,2.27,2.27,2.27,2.27,2.27,2.27,2.27,2.27,2.27,2.27,2.27,2.75,3.2783471712759487,3.8066943425518973,4.3350415138278455,4.863388685103795,5.391735856379743,5.920083027655692,6.448430198931639,6.976777370207588,7.505124541483536,8.033471712759486,zero
+280,1.21,97,3.453563267239586e+17,3.69,1.3056264580524357,72.1,Unknown,None,1,0.2767210139836818,0.19123934735675563,3.9,3.806775737898819,3.774554383383526,3.763094881805273,3.759109562660969,3.757658203667833,3.7571224664159244,3.756960462552825,3.7569024338876003,3.7568574387378133,3.756870984400798,0.37,0.27677573789881926,0.24455438338352634,0.23309488180527296,0.22910956266096902,0.22765820366783301,0.22712246641592465,0.22696046255282487,0.22690243388760054,0.2268574387378134,0.22687098440079792,1.09,1.1832242621011808,1.2154456166164735,1.2269051181947268,1.2308904373390308,1.2323417963321668,1.2328775335840751,1.233039537447175,1.2330975661123995,1.2331425612621865,1.233129015599202,second
+279,6.83,90,4.0140650971591917e+17,1.86,0.62057648772511,83.9,Linear,Enzyme,0,5.663592126510835,3.5822759908024313,6.1,0.06589473978897994,0.0007143893173239247,7.661717339521246e-06,9.335610033979015e-08,5.01739853606116e-07,-6.732580634102085e-07,-2.401204807220848e-07,3.141722003298895e-07,-1.2617921113794168e-06,2.813551182380311e-07,2.56,2.56,2.56,2.56,2.56,2.56,2.56,2.56,2.56,2.56,2.56,4.93,10.964105260211019,11.029285610682676,11.02999233828266,11.029999906643901,11.029999498260148,11.030000673258064,11.030000240120481,11.0299996858278,11.030001261792112,11.029999718644882,first
+270,10.57,93,3.382366009925591e+17,2.53,0.9282193027394288,40.3,Branched,None,0,0.3440639946008151,0.3016782233095029,8.58,1.0939716805876667,0.7224860582070082,0.5591198611665739,0.46321049293399547,0.3990276380046192,0.35219458318009766,0.31617044586406884,0.28782386686276057,0.2646188301223121,0.24507987783964913,4.71,0.9669858402938333,0.7812430291035041,0.6995599305832868,0.6516052464669977,0.6195138190023095,0.5960972915900488,0.5780852229320343,0.5639119334313802,0.5523094150611559,0.5425399389198245,2.34,6.083014159706167,6.268756970896496,6.350440069416713,6.398394753533003,6.430486180997691,6.453902708409951,6.4719147770679655,6.48608806656862,6.497690584938844,6.507460061080176,third
+273,4.98,100,4.417765536235256e+17,0.93,-0.07257069283483537,81.7,Branched,Enzyme,1,0.03242976831575938,0.027145445585587562,1.66,1.5377324536458945,1.4355366278919222,1.3494964627592005,1.2765733463324385,1.2149909517861692,1.163089453463083,1.1192594017104436,1.081941722880089,1.0496277308759994,1.0215377318098002,4.65,4.5277324536458945,4.425536627891922,4.3394964627592,4.2665733463324385,4.2049909517861686,4.153089453463083,4.109259401710443,4.071941722880089,4.039627730875999,4.0115377318098,3.06,3.1822675463541055,3.284463372108078,3.370503537240799,3.443426653667561,3.5050090482138305,3.556910546536917,3.600740598289556,3.638058277119911,3.6703722691240004,3.6984622681901995,second
+275,12.77,91,2.0846233642334125e+17,3.12,1.1378330018213911,188.2,Linear,Acid,1,1.0801550028102502,0.6141641058831836,4.39,1.8143169575454496,1.8129234583520524,1.8118452096558908,1.8122793430234065,1.8131196173393456,1.8127453251812806,1.8134788291809847,1.8139244524966203,1.8140609462288244,1.8134691476083007,1.26,1.26,1.26,1.26,1.26,1.26,1.26,1.26,1.26,1.26,1.26,4.49,5.777841521227276,5.778538270823974,5.779077395172055,5.778860328488297,5.778440191330327,5.778627337409359,5.778260585409507,5.77803777375169,5.777969526885587,5.7782654261958495,second
+278,4.63,100,4.90572428933363e+16,1.36,0.3074846997479607,108.6,Ring,Base,0,0.007954001438226796,0.005766015142649705,7.84,7.651028286058291,7.475275545810656,7.311428730216368,7.158364926129329,7.015137264088707,6.880879286040819,6.754803557976817,6.636201669932677,6.524444235989206,6.418980894272035,3.93,3.7410282860582913,3.5652755458106564,3.401428730216368,3.24836492612933,3.1051372640887065,2.9708792860408186,2.8448035579768165,2.7262016699326774,2.6144442359892057,2.5089808942720353,1.49,1.678971713941709,1.854724454189344,2.0185712697836324,2.1716350738706702,2.3148627359112934,2.4491207139591813,2.5751964420231834,2.693798330067323,2.805555764010794,2.9110191057279646,second
+275,12.87,92,3.23502866186565e+17,1.24,0.2151113796169455,138.9,Ring,Enzyme,0,1.082394576650768,0.6093314559487074,5.53,4.70237281522369,4.690213510788008,4.690003752222904,4.690000281098582,4.689999995945194,4.690000078744929,4.689999473086694,4.689999954846605,4.690001192695078,4.690001167589777,0.84,0.012372815223688986,0.00021351078800755692,3.752222903107764e-06,2.810985815104895e-07,-4.054806733455838e-09,7.87449275536775e-08,-5.26913308001267e-07,-4.515339706458514e-08,1.192695077024263e-06,1.1675897761948504e-06,4.1,4.92762718477631,4.939786489211992,4.939996247777096,4.939999718901418,4.940000004054806,4.939999921255071,4.940000526913306,4.940000045153395,4.939998807304922,4.939998832410223,second
+278,11.94,90,2.753093557219588e+17,0.88,-0.12783337150988489,74.5,Linear,Base,0,3.37843249763864,2.673043488134658,5.12,2.4172540018890865,-0.2854919962218254,-2.988237994332739,-5.690983992443651,-8.393729990554565,-11.096475988665482,-13.799221986776395,-16.501967984887308,-19.204713982998225,-21.907459981109138,2.66,2.66,2.66,2.66,2.66,2.66,2.66,2.66,2.66,2.66,2.66,4.7,7.402745998110914,10.105491996221826,12.808237994332739,15.51098399244365,18.21372999055456,20.916475988665482,23.619221986776395,26.32196798488731,29.024713982998225,31.72745998110914,zero
+270,1.98,90,9.864300349701709e+16,4.24,1.4445632692438664,43.8,Branched,None,0,0.38184821423696763,0.20887452602726211,3.11,1.0762928857792533,0.6500049258017956,0.46580385842426447,0.36319938252787876,0.29716426229413323,0.25184608774353046,0.21832055912450796,0.19260449620305686,0.1725065996245842,0.15617619506892688,4.05,4.05,4.05,4.05,4.05,4.05,4.05,4.05,4.05,4.05,4.05,4.24,5.256853557110373,5.469997537099102,5.562098070787868,5.61340030873606,5.646417868852933,5.669076956128235,5.6858397204377455,5.698697751898471,5.7087467001877075,5.716911902465536,second
+270,2.58,96,4.2939974302211366e+17,1.65,0.5007752879124892,150.6,Linear,Base,1,0.11478220285299165,0.09260184954641452,9.97,3.9533602938560017,2.9208860895587145,2.60450578152021,2.4922676493178617,2.4513690190894293,2.435306354316149,2.429346902976269,2.4268737411757764,2.426487232911618,2.425884051755857,2.67,2.67,2.67,2.67,2.67,2.67,2.67,2.67,2.67,2.67,2.67,3.52,6.5283198530719995,7.044556955220643,7.202747109239896,7.25886617534107,7.279315490455286,7.2873468228419265,7.2903265485118665,7.291563129412112,7.291756383544191,7.292057974122073,second
+271,4.81,94,2.459521743300374e+17,3.7,1.308332819650179,65.5,Unknown,None,0,0.18702853445456025,0.11737483412318281,5.63,4.696153868516952,4.670992690709285,4.670038660381004,4.670001726828708,4.670000412334532,4.670001112414785,4.670001276184906,4.670000300845924,4.670000575864676,4.670000431461133,0.48,0.013076934258476024,0.0004963453546428701,1.9330190502087242e-05,8.634143546022369e-07,2.061672660769457e-07,5.562073927618276e-07,6.380924534764276e-07,1.5042296226012386e-07,2.879323378862312e-07,2.1573056664624053e-07,3.83,4.296923065741526,4.309503654645358,4.309980669809498,4.309999136585646,4.309999793832735,4.309999443792608,4.309999361907548,4.309999849577039,4.309999712067664,4.309999784269435,third
+273,11.7,90,3.7030959724702374e+17,4.53,1.5107219394949427,151.5,Branched,Enzyme,0,2.2270605891077446,1.692544018263511,8.91,1.5011715481900307,0.25321448307026817,0.04273671973917334,0.007213657598068779,0.0012166959284187883,0.00020484807196299138,3.487453295789089e-05,5.915442047580867e-06,1.1333886712831266e-06,2.6449017472983525e-07,0.34,0.34,0.34,0.34,0.34,0.34,0.34,0.34,0.34,0.34,0.34,1.08,1.08,1.08,1.08,1.08,1.08,1.08,1.08,1.08,1.08,1.08,first
+280,1.86,92,3.682048785490101e+17,1.42,0.35065687161316933,156.2,Linear,Base,0,2.527315027410984,1.9441569455251775,4.43,2.8333738328789853,2.8300110277548454,2.8300000017589566,2.8299998358953613,2.829999932914997,2.8299997948699813,2.8300009523387577,2.829999653683089,2.829999500665308,2.8300012388548272,1.6,0.003373832878985737,1.1027754846260704e-05,1.7589581993601784e-09,-1.641046375661794e-07,-6.708500138073694e-08,-2.0513001730696622e-07,9.523387588820168e-07,-3.4631690993669605e-07,-4.993346909169528e-07,1.238854828813665e-06,2.84,4.436626167121013,4.439988972245152,4.439999998241039,4.440000164104636,4.440000067084999,4.440000205130015,4.439999047661239,4.440000346316908,4.440000499334688,4.4399987611451674,second
+273,4.79,90,2.952084479781793e+17,2.86,1.0508216248317612,152.2,Branched,Acid,1,1.7753984907534044,1.4613759992198403,8.33,6.169905937405159,6.169842394379431,6.16997293119257,6.170068323098834,6.170216458537998,6.1701353430451,6.1700419698052045,6.170126645841432,6.170371289025761,6.170168361680102,1.21,0.12995296870258002,0.12992119718971734,0.1299864655962871,0.13003416154941905,0.13010822926900098,0.13006767152255264,0.13002098490260383,0.1300633229207174,0.13018564451288137,0.1300841808400527,4.93,6.010047031297422,6.010078802810285,6.010013534403714,6.009965838450581,6.009891770731,6.009932328477447,6.0099790150973975,6.009936677079283,6.00981435548712,6.009915819159949,third
+270,2.11,94,2.4050124701695907e+17,2.5,0.9162907318741551,154.2,Ring,None,1,0.15669940286951528,0.10792879975572821,5.24,4.7444781425254545,4.343425257831181,4.018167740548241,3.7554147065969525,3.5437392799871716,3.3726864080348085,3.2334366145123967,3.1206801877962196,3.029595854931033,2.9559052611859578,0.06,0.06,0.06,0.06,0.06,0.06,0.06,0.06,0.06,0.06,0.06,1.24,1.735521857474545,2.136574742168819,2.461832259451759,2.724585293403047,2.936260720012829,3.107313591965192,3.246563385487603,3.35931981220378,3.4504041450689664,3.524094738814042,first
+278,10.66,98,1.5949058841167194e+17,1.94,0.6626879730752367,151.9,Linear,Acid,0,0.061435576573811386,0.04929829602047808,3.96,3.770077521487804,3.5892598700446143,3.41710740387254,3.253212376635112,3.0971831483339978,2.948643700409778,2.8072336357419463,2.672608178648911,2.5444381748879916,2.4224100916554208,0.63,0.63,0.63,0.63,0.63,0.63,0.63,0.63,0.63,0.63,0.63,0.08,0.26992247851219603,0.4507401299553856,0.6228925961274601,0.7867876233648882,0.9428168516660024,1.0913562995902222,1.2327663642580533,1.367391821351089,1.4955618251120084,1.6175899083445793,first
+275,13.05,98,2.893470607964275e+17,3.45,1.2383742310432684,66.9,Linear,Base,1,0.07018115569997255,0.035741298463063016,8.74,1.8943596009061392,1.5831454896908292,1.5019083539519007,1.4763715854351205,1.4683644315280782,1.4658277972683456,1.4647135084108067,1.4644513914948503,1.464614242910483,1.4644113352548218,3.48,3.48,3.48,3.48,3.48,3.48,3.48,3.48,3.48,3.48,3.48,3.74,6.021880133031286,6.125618170103056,6.152697215349366,6.161209471521626,6.163878522823973,6.164724067577217,6.165095497196397,6.165182869501716,6.165128585696505,6.165196221581725,third
+279,6.34,94,2.409612272054931e+17,0.87,-0.13926206733350766,162.0,Unknown,None,0,0.6060995327771199,0.4136972172327421,1.07,0.6246216456352744,0.46590263471490584,0.37993491619987385,0.3237946306646367,0.28429877714533114,0.25414892589370086,0.2305486664712656,0.21157819933212124,0.19572788413194656,0.18225680601011007,0.83,0.6073108228176372,0.5279513173574528,0.48496745809993685,0.45689731533231825,0.4371493885726655,0.42207446294685036,0.4102743332356327,0.4007890996660606,0.3928639420659732,0.38612840300505497,1.11,1.3326891771823628,1.4120486826425471,1.4550325419000631,1.4831026846676818,1.5028506114273346,1.5179255370531497,1.5297256667643673,1.5392109003339396,1.547136057934027,1.5538715969949453,third
+279,13.95,95,3.734227618595486e+17,4.09,1.4085449700547104,141.4,Ring,Enzyme,1,0.6103372488739964,0.5222662110208468,1.69,0.5590521559033496,0.5552071719702165,0.5557430286935912,0.5549473936005638,0.5557300029538907,0.5550487325929606,0.5556961537474461,0.554904132035254,0.5557282695676046,0.5555172439408153,4.64,4.074526077951675,4.0726035859851075,4.0728715143467955,4.072473696800282,4.072865001476946,4.07252436629648,4.072848076873723,4.072452066017626,4.072864134783802,4.072758621970407,0.9,1.4654739220483255,1.4673964140148918,1.4671284856532045,1.4675263031997186,1.4671349985230548,1.46747563370352,1.4671519231262773,1.4675479339823734,1.467135865216198,1.4672413780295925,third
+272,4.3,92,4.2956621045947334e+17,4.3,1.4586150226995167,132.5,Linear,Base,1,0.9221321936805361,0.5323307078053243,2.66,0.5963174217396381,0.5820621120877265,0.5816187986482297,0.5810431004633786,0.5816523190896392,0.582007402000709,0.5821039432461265,0.5826764769530851,0.5817647281937517,0.5818019512792686,2.88,1.8481587108698192,1.8410310560438632,1.8408093993241148,1.8405215502316894,1.8408261595448194,1.8410037010003544,1.8410519716230633,1.8413382384765427,1.8408823640968761,1.8409009756396344,0.04,1.0718412891301812,1.0789689439561372,1.0791906006758856,1.079478449768311,1.079173840455181,1.078996298999646,1.078948028376937,1.0786617615234577,1.0791176359031243,1.079099024360366,third
+272,9.53,92,7.891212953060658e+16,2.27,0.8197798314933114,151.0,Linear,Base,0,0.16939743708944716,0.08742388818513665,4.25,1.9777465614658607,1.2892344531530227,0.9556613482008918,0.759790990704376,0.6303234437423504,0.5389608991058057,0.4700953028707655,0.4172928904566732,0.3752924951530331,0.3406462266997146,4.86,4.86,4.86,4.86,4.86,4.86,4.86,4.86,4.86,4.86,4.86,0.6,1.7361267192670695,2.0803827734234885,2.247169325899554,2.3451045046478116,2.4098382781288246,2.4555195504470966,2.489952348564617,2.516353554771663,2.537353752423483,2.554676886650142,second
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+274,6.12,100,3.1937141281906445e+17,4.96,1.601405740736836,74.7,Linear,Acid,0,0.027534061874325114,0.019546990534311207,8.12,7.943094259350498,7.77004266326847,7.600761222862121,7.4351676920905065,7.273181864343243,7.114725230536839,6.959720903624423,6.80809361859574,6.659769732477157,6.514677224331661,1.07,1.07,1.07,1.07,1.07,1.07,1.07,1.07,1.07,1.07,1.07,3.56,3.7369057406495,3.909957336731529,4.079238777137877,4.244832307909491,4.406818135656755,4.565274769463159,4.720279096375575,4.871906381404258,5.020230267522841,5.165322775668337,first
+273,3.95,96,1.430818900506994e+17,3.02,1.1052568313867783,121.2,Branched,Enzyme,0,0.06119221927681561,0.05183339765174265,2.77,1.5407866180362924,1.1837359759406816,0.9965215608945543,0.8778224302745862,0.792448333225942,0.7284892890997512,0.6781641019872706,0.6365307044924802,0.6017447628735514,0.5720990809542412,1.66,1.66,1.66,1.66,1.66,1.66,1.66,1.66,1.66,1.66,1.66,4.55,4.959737793987903,5.07875467468644,5.141159479701815,5.180725856575138,5.209183888924686,5.230503570300083,5.24727863267091,5.26115643183584,5.272751745708816,5.28263363968192,third
+274,11.36,94,4.636042895239054e+17,3.12,1.1378330018213911,33.8,Ring,Acid,1,0.556656437010169,0.3506452838175579,2.92,1.373254519233845,1.2970440021797718,1.2913649254404658,1.2910010778703536,1.290760053668221,1.2897457050465684,1.2912260384031544,1.292209204365429,1.2896081229276763,1.2914758617127349,0.24,0.24,0.24,0.24,0.24,0.24,0.24,0.24,0.24,0.24,0.24,1.83,2.6033727403830773,2.641477998910114,2.644317537279767,2.644499461064823,2.6446199731658893,2.6451271474767157,2.644386980798423,2.6438953978172854,2.645195938536162,2.6442620691436325,second
+276,5.0,92,3.879408355208117e+17,4.87,1.5830939370944985,23.6,Branched,None,1,1.5017234879481205,1.0713011770837912,6.87,1.3774029190190675,1.3776976901683713,1.3771506282218167,1.3771294005930506,1.3785485757254425,1.3791651065126171,1.3772279075927956,1.377117370217088,1.3767183481386451,1.3780044346450324,3.88,1.1337014595095338,1.1338488450841857,1.1335753141109084,1.1335647002965255,1.1342742878627214,1.1345825532563087,1.1336139537963983,1.1335586851085444,1.1333591740693227,1.1340022173225166,0.27,3.0162985404904665,3.016151154915814,3.016424685889092,3.016435299703475,3.015725712137279,3.015417446743692,3.016386046203603,3.0164413148914573,3.0166408259306787,3.015997782677485,third
+280,2.56,93,1.1303419198394085e+17,2.23,0.8020015854720274,90.6,Branched,None,1,0.5049177659170073,0.39806769132039715,6.34,1.542875552441836,1.5440581548055585,1.5433024892426321,1.5414698367371464,1.5446324393552946,1.544062871677938,1.5419798604792505,1.5426720244196517,1.5444627051327933,1.543144614811091,1.4,1.4,1.4,1.4,1.4,1.4,1.4,1.4,1.4,1.4,1.4,3.06,4.659041482519387,4.658647281731481,4.6588991702524565,4.6595100544209505,4.658455853548236,4.658645709440688,4.659340046506919,4.6591093251934526,4.658512431622406,4.658951795062974,third
+271,6.74,98,4.138384675141434e+17,1.69,0.5247285289349821,142.7,Branched,Enzyme,1,0.05331743145566719,0.047877012754807054,6.89,4.44786275036492,3.381479980743157,2.8109910323476983,2.4754776017419204,2.262316289697673,2.1249143359288443,2.0310840134632464,1.9679633056674826,1.925159803825448,1.8946864018331322,0.13,0.13,0.13,0.13,0.13,0.13,0.13,0.13,0.13,0.13,0.13,1.17,2.3910686248175397,2.924260009628421,3.2095044838261506,3.3772611991290398,3.483841855151163,3.5525428320355776,3.5994579932683766,3.6310183471662585,3.652420098087276,3.6676567990834337,second
+276,12.96,97,3.1322107749748064e+17,3.91,1.3635373739972745,113.6,Linear,Acid,0,0.13720235591344596,0.08839032504125464,4.57,4.094935871894745,3.6692579480996654,3.287668271750415,2.9454245795523435,2.638815892783006,2.3643630544003122,2.118783611846884,1.8989918170500548,1.7020986264218712,1.5254117008590935,4.15,4.15,4.15,4.15,4.15,4.15,4.15,4.15,4.15,4.15,4.15,4.41,4.41,4.41,4.41,4.41,4.41,4.41,4.41,4.41,4.41,4.41,first
+272,2.09,99,3.277976477338471e+17,4.29,1.4562867329399256,75.4,Ring,Enzyme,1,0.03184538690431734,0.02690409192424209,5.62,4.469721832332861,3.763891614877239,3.2922876618895045,2.9660259032579384,2.7270857223459015,2.5510271342680415,2.419522675835197,2.317679019842315,2.238760179425747,2.177330784826578,4.69,4.69,4.69,4.69,4.69,4.69,4.69,4.69,4.69,4.69,4.69,2.63,3.2051390838335694,3.5580541925613804,3.793856169055248,3.9569870483710305,4.076457138827049,4.164486432865979,4.230238662082401,4.281160490078842,4.320619910287126,4.351334607586711,second
+278,11.26,96,4.737753297757207e+17,4.58,1.5216989981260935,193.3,Unknown,Base,0,0.4335704450112705,0.26000424117875004,9.63,1.2567838323360103,0.6730523961095397,0.45949630143071224,0.34862624266213865,0.2808846590250666,0.23525711803690705,0.20243933284190097,0.17746230075019495,0.15812731692666915,0.14261123350374394,3.86,3.86,3.86,3.86,3.86,3.86,3.86,3.86,3.86,3.86,3.86,2.38,6.566608083831995,6.858473801945231,6.965251849284645,7.020686878668932,7.054557670487467,7.077371440981548,7.09378033357905,7.106268849624904,7.115936341536666,7.123694383248129,second
+280,9.56,90,1.3558447046791598e+17,0.52,-0.6539264674066639,102.0,Unknown,Base,0,2.197342913743436,1.7064471159670598,9.57,0.2774479256360767,0.1406206825866856,0.09420577768791283,0.07084683682716629,0.056792076093733795,0.04734616658824893,0.04061104052083425,0.035582964180182426,0.03162628722853849,0.028462108941733576,0.42,0.42,0.42,0.42,0.42,0.42,0.42,0.42,0.42,0.42,0.42,4.9,9.546276037181961,9.614689658706657,9.637897111156043,9.649576581586416,9.656603961953133,9.661326916705876,9.664694479739584,9.667208517909907,9.66918685638573,9.670768945529133,second
+276,11.59,90,1.966129533227511e+17,2.58,0.9477893989335261,81.9,Branched,Enzyme,1,1.8195423081419808,1.315102636936521,1.32,1.5732104296846225,1.5745745478919686,1.5733026681115219,1.5740556722667869,1.5749123421585363,1.5726636146381014,1.572999995036536,1.5740405555908359,1.5747939596673886,1.5735504737174326,1.48,1.7332104296846225,1.7345745478919685,1.7333026681115218,1.7340556722667868,1.7349123421585362,1.7326636146381014,1.732999995036536,1.7340405555908358,1.7347939596673885,1.7335504737174325,4.03,3.776789570315378,3.7754254521080313,3.776697331888478,3.7759443277332134,3.7750876578414636,3.777336385361899,3.777000004963464,3.775959444409164,3.7752060403326118,3.7764495262825677,second
+272,7.99,96,3.504739478646006e+17,1.96,0.6729444732424258,36.1,Branched,Base,0,0.12830234623401407,0.08669480712030228,4.98,1.23636538921258,0.8883895388628957,0.7289856769885127,0.6334966417855746,0.5671124714865923,0.5185884161395548,0.4804985014105341,0.4495799205323988,0.4240241182507171,0.4023726602990384,1.65,1.65,1.65,1.65,1.65,1.65,1.65,1.65,1.65,1.65,1.65,3.18,4.427878203595807,4.543870153712368,4.5970047743371625,4.6288344527381415,4.6509625095044695,4.667137194620149,4.679833832863155,4.6901400264892,4.698658627249761,4.70587577990032,third
+277,6.03,98,7.142438528488937e+16,1.96,0.6729444732424258,38.7,Unknown,Enzyme,0,0.023607702171275412,0.019670170723010777,9.4,6.937407386655527,5.4972073717248895,4.553455098159282,3.885395142021828,3.3911509346339397,3.005372143121903,2.6991215340783183,2.4514349438792786,2.245006012235981,2.069513205163729,0.72,0.72,0.72,0.72,0.72,0.72,0.72,0.72,0.72,0.72,0.72,0.27,1.5012963066722371,2.221396314137556,2.6932724509203596,3.0273024289890866,3.274424532683031,3.4673139284390495,3.6204392329608415,3.7442825280603618,3.8474969938820105,3.9352433974181364,second
+270,3.66,94,2.4171928569092304e+17,2.17,0.7747271675523681,105.9,Branched,Base,1,0.15749302009707447,0.11195436942943342,1.13,1.3939719946561973,1.513179095316329,1.564537434236015,1.586134039078808,1.594408701883962,1.5983818896902828,1.599608541148028,1.600148079115935,1.600527927004782,1.600573488254907,0.91,0.91,0.91,0.91,0.91,0.91,0.91,0.91,0.91,0.91,0.91,3.84,3.7080140026719013,3.6484104523418353,3.6227312828819924,3.611932980460596,3.607795649058019,3.6058090551548587,3.605195729425986,3.6049259604420323,3.604736036497609,3.6047132558725465,second
+274,5.71,100,4.044038191077092e+17,2.72,1.000631880307906,128.8,Linear,None,0,0.03486498581459876,0.029964762269563443,8.38,8.117087858349656,7.913422201143487,7.753433225215885,7.62735522747334,7.5275249693021795,7.447304815402476,7.382316288021349,7.3299308123160705,7.28765803266656,7.2533201943692935,1.28,1.0170878583496543,0.8134222011434862,0.6534332252158834,0.5273552274733389,0.42752496930217765,0.3473048154024753,0.28231628802134867,0.22993081231606957,0.18765803266655845,0.15332019436929284,1.5,1.7629121416503457,1.9665777988565138,2.1265667747841164,2.2526447725266614,2.352475030697822,2.4326951845975247,2.4976837119786515,2.5500691876839308,2.5923419673334416,2.6266798056307072,second
+278,11.04,99,4.737718208165983e+16,4.5,1.5040773967762742,70.8,Ring,Enzyme,0,0.011840033454281647,0.007625726713114737,3.37,3.3382299706026783,3.3067594470774617,3.275585605924733,3.244705650131989,3.2141168088049947,3.183816338030123,3.153801519521781,3.1240696602267994,3.094618092324435,3.0654441732263673,1.1,1.1,1.1,1.1,1.1,1.1,1.1,1.1,1.1,1.1,1.1,1.96,1.96,1.96,1.96,1.96,1.96,1.96,1.96,1.96,1.96,1.96,first
+271,8.13,100,1.4180039827705706e+17,0.56,-0.579818495252942,153.9,Branched,None,0,0.007519801758390201,0.003938556744159693,3.74,3.733984158593288,3.727968317186576,3.721952475779864,3.7159366343731515,3.7099207929664395,3.7039049515597275,3.697889110153015,3.691873268746303,3.6858574273395908,3.679841585932879,1.36,1.36,1.36,1.36,1.36,1.36,1.36,1.36,1.36,1.36,1.36,0.43,0.4360158414067121,0.4420316828134243,0.44804752422013644,0.4540633656268486,0.46007920703356076,0.46609504844027294,0.47211088984698507,0.47812673125369726,0.4841425726604094,0.4901584140671216,zero
+271,9.2,92,2.4710721756078445e+17,0.59,-0.527632742082372,128.0,Ring,Enzyme,0,0.4565118509679393,0.40494049558034056,6.75,4.684848237310493,3.2501925842386115,2.2567716510969813,1.5664233415263538,1.0867849294105127,0.7553573153719084,0.523822295887743,0.36377818767776676,0.25278847933400506,0.1754506195394549,1.43,1.43,1.43,1.43,1.43,1.43,1.43,1.43,1.43,1.43,1.43,0.73,2.795151762689507,4.229807415761389,5.223228348903019,5.913576658473647,6.393215070589488,6.724642684628092,6.956177704112258,7.116221812322234,7.227211520665995,7.3045493804605455,first
+273,12.55,96,4.4270237204250246e+17,4.36,1.472472057360943,122.7,Ring,None,1,0.18933172195860856,0.12016520094229616,6.48,6.062391934633865,5.923544884554898,5.875144535696885,5.85790940519157,5.851755348983807,5.849669964037835,5.8487873251934985,5.8485973515289125,5.848444805834794,5.848420991136901,0.94,0.5223919346338644,0.3835448845548968,0.33514453569688396,0.31790940519157007,0.3117553489838063,0.30966996403783464,0.3087873251934981,0.3085973515289119,0.30844480583479383,0.308420991136901,2.21,2.6276080653661356,2.7664551154451034,2.814855464303116,2.8320905948084296,2.8382446510161934,2.840330035962165,2.8412126748065014,2.841402648471088,2.8415551941652057,2.8415790088630986,second
+278,11.0,97,3.055532093352746e+17,0.65,-0.4307829160924542,122.1,Unknown,None,0,0.18141487861032907,0.13951304737574324,7.34,6.348424282758332,5.490744676822839,4.74778204771319,4.105081081050583,3.5501988588096154,3.07149165558138,2.658114938573464,2.30002336760995,1.989315113469637,1.7205766434223158,0.21,0.21,0.21,0.21,0.21,0.21,0.21,0.21,0.21,0.21,0.21,3.08,4.071575717241668,4.92925532317716,5.672217952286809,6.314918918949416,6.869801141190384,7.348508344418619,7.7618850614265344,8.119976632390049,8.430684886530363,8.699423356577684,first
+273,13.72,98,7.438329675039667e+16,0.82,-0.19845093872383832,49.5,Linear,Enzyme,0,0.013179586425433664,0.010333390725155702,3.8,3.5180834638756218,3.2751204962242775,3.0632884579402804,2.8765932821987032,2.711633639221408,2.565375412919661,2.434984344151849,2.317826030723481,2.2114659273871875,2.1136693458427205,2.75,2.75,2.75,2.75,2.75,2.75,2.75,2.75,2.75,2.75,2.75,4.67,4.810958268062189,4.932439751887861,5.038355771029859,5.131703358900648,5.214183180389295,5.287312293540169,5.352507827924075,5.411086984638259,5.464267036306405,5.513165327078639,second
+277,7.42,90,1.0620667991439794e+17,3.75,1.3217558399823195,72.7,Linear,Base,1,1.1323878095840811,1.016870326654334,8.31,1.4199128844296554,1.4192658947796464,1.417975066185461,1.4172737530606203,1.4176919910687817,1.418962104545984,1.4200103825970076,1.4193878440001324,1.418049602024562,1.4187217307635789,0.16,0.16,0.16,0.16,0.16,0.16,0.16,0.16,0.16,0.16,0.16,0.88,3.1766957051901157,3.176911368406786,3.177341644604848,3.1775754156464613,3.1774360029770743,3.1770126318180076,3.176663205801,3.176870718666625,3.177316799325148,3.1770927564121423,third
+277,6.33,96,2.902117216752293e+17,4.59,1.5238800240724537,127.9,Linear,Acid,0,0.22860261421690742,0.13631967660839792,1.59,1.407117908626474,1.224235817252948,1.041353725879422,0.8584716345058961,0.6755895431323703,0.4927074517588441,0.30982536038531827,0.1269432690117922,-0.055938822361734086,-0.2388209137352597,1.07,1.07,1.07,1.07,1.07,1.07,1.07,1.07,1.07,1.07,1.07,4.09,4.272882091373526,4.4557641827470515,4.638646274120577,4.821528365494103,5.004410456867629,5.187292548241155,5.370174639614681,5.553056730988207,5.735938822361733,5.918820913735259,zero
+273,11.74,94,4.3821044679749056e+17,1.92,0.6523251860396901,173.3,Unknown,Base,0,0.4523550457137568,0.2981918548623735,1.56,1.1981159634289946,0.8362319268579892,0.47434789028698365,0.11246385371597822,-0.2494201828550272,-0.6113042194260329,-0.9731882559970387,-1.3350722925680443,-1.6969563291390504,-2.058840365710056,2.16,2.16,2.16,2.16,2.16,2.16,2.16,2.16,2.16,2.16,2.16,1.2,1.5618840365710054,1.9237680731420108,2.2856521097130162,2.647536146284022,3.0094201828550275,3.371304219426033,3.733188255997039,4.0950722925680445,4.45695632913905,4.818840365710056,zero
+273,1.98,92,2.7667280984541427e+17,3.04,1.1118575154181303,22.2,Branched,Acid,1,0.6893636338175659,0.3978071681970304,2.64,1.4429192301828726,1.4429823287028583,1.4435079837021614,1.4450918220083344,1.443771813866584,1.4427959280232006,1.4424570113593942,1.4429635891692916,1.4446753200300417,1.4445892876099615,2.34,2.34,2.34,2.34,2.34,2.34,2.34,2.34,2.34,2.34,2.34,4.81,5.209026923272376,5.209005890432381,5.208830672099279,5.208302725997221,5.208742728711138,5.209068023992265,5.209180996213535,5.209012136943568,5.208441559989985,5.208470237463345,third
+270,1.16,98,4.5845360260578125e+17,1.82,0.598836501088704,42.7,Ring,Acid,1,0.05027718238017717,0.026923297243020984,6.37,5.934006438551122,5.620663057591096,5.3892124937658705,5.216479735357329,5.084682478011143,4.982281776172196,4.90303146009281,4.841381908060431,4.79266968100056,4.754132469390853,2.14,1.7040064385511222,1.3906630575910957,1.1592124937658708,0.9864797353573298,0.8546824780111426,0.7522817761721958,0.6730314600928106,0.6113819080604304,0.5626696810005594,0.5241324693908521,1.45,1.8859935614488779,2.1993369424089044,2.430787506234129,2.60352026464267,2.7353175219888572,2.8377182238278045,2.9169685399071894,2.9786180919395697,3.0273303189994403,3.0658675306091476,second
+274,6.37,92,4.499481240726082e+17,1.39,0.3293037471426003,152.4,Branched,Acid,0,1.2998425531906417,1.0133088324567026,2.68,0.9133088638483273,0.6359652742646107,0.5298118587458978,0.4772628444895439,0.44784050867743497,0.43035072633485766,0.41953827077997585,0.41268265795595005,0.4082829652498252,0.4054325259453618,2.28,0.513308863848327,0.23596527426461028,0.12981185874589732,0.07726284448954344,0.047840508677434494,0.030350726334857175,0.01953827077997538,0.012682657955949622,0.008282965249824765,0.005432525945361373,3.04,4.806691136151673,5.084034725735389,5.190188141254103,5.242737155510456,5.272159491322565,5.289649273665142,5.300461729220023,5.307317342044049,5.311717034750174,5.314567474054638,second
+275,13.84,96,1.670605305163204e+17,4.57,1.5195132049061133,188.3,Ring,Base,0,0.09718009250539021,0.06889960849530609,7.06,6.531919940945244,6.043340335761034,5.591282351411339,5.172959348898658,4.785934745396988,4.427921579948221,4.096761123996368,3.790422881387544,3.5070045883699854,3.2447322135940375,0.83,0.83,0.83,0.83,0.83,0.83,0.83,0.83,0.83,0.83,0.83,3.21,3.21,3.21,3.21,3.21,3.21,3.21,3.21,3.21,3.21,3.21,first
+275,8.55,95,4.645009878434567e+17,2.86,1.0508216248317612,173.6,Ring,Acid,1,0.41844761758170185,0.24113118752580057,2.04,1.1678133238365176,0.9591712771289294,0.898951199592081,0.8805616986503312,0.8750678816080001,0.8733375671115984,0.8726826397310397,0.8725776939707938,0.872600966989386,0.8725129943655142,3.22,2.3478133238365175,2.1391712771289297,2.078951199592081,2.0605616986503312,2.055067881608,2.053337567111598,2.052682639731039,2.0525776939707936,2.052600966989386,2.052512994365514,1.94,2.8121866761634826,3.0208287228710704,3.081048800407919,3.099438301349669,3.104932118392,3.106662432888402,3.107317360268961,3.1074223060292065,3.1073990330106143,3.107487005634486,second
+272,5.51,97,2.7656303265346787e+17,3.31,1.1969481893889715,199.8,Unknown,Acid,0,0.06506192862479665,0.03908076874898269,8.45,4.513813571138257,3.0729556708854027,2.3319057055443455,1.8760014017744233,1.571977369753413,1.350658889875715,1.1845487002886759,1.0558907865038736,0.9514864635106395,0.8657383755628923,0.89,0.89,0.89,0.89,0.89,0.89,0.89,0.89,0.89,0.89,0.89,4.99,6.958093214430871,7.6785221645572985,8.049047147227828,8.276999299112788,8.429011315123294,8.539670555062141,8.622725649855662,8.687054606748063,8.73925676824468,8.782130812218552,second
+278,2.93,98,1.1794052288955891e+17,4.15,1.423108334242607,178.3,Unknown,None,0,0.04543054293858627,0.02671433286683729,3.44,2.7517946915844487,2.293535846321516,1.9653571088803925,1.7217515613504673,1.530773036680996,1.3771379792912468,1.252354626366809,1.148889953174197,1.060654513837918,0.9847338905480355,3.22,3.22,3.22,3.22,3.22,3.22,3.22,3.22,3.22,3.22,3.22,1.31,1.6541026542077755,1.883232076839242,2.047321445559804,2.1691242193247664,2.264613481659502,2.3414310103543765,2.4038226868165955,2.4555550234129018,2.499672743081041,2.5376330547259824,second
+274,10.49,96,1.806619369286777e+17,0.96,-0.040821994520255166,193.9,Unknown,None,0,0.09016083742772002,0.059183573768817624,7.48,6.23794057973061,5.560775746469916,5.14937390817435,4.88253423520299,4.704389052398832,4.580797516246186,4.494190495366629,4.432724750083162,4.388380775402239,4.356388524708894,3.21,1.96794057973061,1.2907757464699146,0.8793739081743488,0.6125342352029894,0.4343890523988305,0.31079751624618446,0.22419049536662794,0.16272475008316073,0.11838077540223774,0.0863885247088933,2.22,3.46205942026939,4.139224253530085,4.550626091825651,4.817465764797011,4.995610947601169,5.119202483753815,5.205809504633372,5.267275249916839,5.311619224597762,5.343611475291107,second
+276,6.79,100,2.81016770457779e+17,4.34,1.4678743481123135,182.1,Linear,Base,0,0.033300786869880375,0.02927415299693208,8.56,8.334967027923899,8.115849929148734,7.902493123657617,7.694744880114271,7.492458139543898,7.295489576410428,7.103699392147543,6.916951315158675,6.735112600817006,6.558054031465467,2.74,2.74,2.74,2.74,2.74,2.74,2.74,2.74,2.74,2.74,2.74,4.73,4.955032972076103,5.174150070851268,5.387506876342385,5.59525511988573,5.7975418604561035,5.994510423589574,6.186300607852459,6.373048684841327,6.554887399182996,6.731945968534535,first
+272,8.65,98,4.831286258608175e+17,3.0,1.0986122886681098,168.1,Branched,None,0,0.07303810910262933,0.06063522862915873,9.36,4.1319844128246945,3.536562285702178,3.311766817504849,3.20512428741325,3.1495290454568234,3.1191682489693022,3.1022994788366782,3.092731684688997,3.0872956791446433,3.0841859513920995,3.14,0.5259922064123481,0.2282811428510895,0.115883408752425,0.06256214370662569,0.034764522728412246,0.01958412448465162,0.011149739418339442,0.006365842344498797,0.0036478395723218895,0.002092975696050029,2.23,4.844007793587653,5.141718857148912,5.254116591247577,5.307437856293376,5.335235477271589,5.35041587551535,5.3588502605816615,5.363634157655502,5.366352160427679,5.3679070243039515,third
+270,10.13,90,4.105878838367833e+17,3.55,1.2669476034873244,91.5,Unknown,Enzyme,1,1.589390475475052,1.3902387068579238,3.28,1.3894778285321594,1.3880521722386467,1.3905418236869902,1.3882850423861401,1.3898973963638808,1.3886771736265109,1.3893063713106488,1.3893533989456655,1.3888780464966604,1.3904079770043762,1.53,1.53,1.53,1.53,1.53,1.53,1.53,1.53,1.53,1.53,1.53,1.26,2.2052610857339205,2.205973913880677,2.204729088156505,2.2058574788069305,2.20505130181806,2.205661413186745,2.2053468143446757,2.2053233005271675,2.20556097675167,2.204796011497812,second
+271,1.18,95,1.5042071886513472e+17,4.6,1.5260563034950492,116.8,Unknown,Acid,0,0.07338548245712195,0.06113274066468137,4.12,1.7700163287662591,1.2146440747184906,0.9446889793812322,0.7800479528914825,0.6679564758660161,0.5855742167890822,0.5230526796654302,0.4730139653090631,0.4320796425040533,0.39801609384443115,3.54,2.3650081643831293,2.087322037359245,1.952344489690616,1.870023976445741,1.8139782379330078,1.7727871083945408,1.7415263398327148,1.7165069826545312,1.6960398212520262,1.6790080469222153,2.72,3.8949918356168713,4.172677962640755,4.3076555103093845,4.38997602355426,4.4460217620669935,4.48721289160546,4.518473660167286,4.54349301734547,4.563960178747974,4.580991953077786,third
+277,7.71,95,3.9296215720341914e+17,0.95,-0.05129329438755058,89.9,Unknown,Base,0,0.47785539152777595,0.4174252823292447,8.92,8.372072430203135,8.35090669670536,8.350037496551563,8.350001662369777,8.349999898969136,8.34999926807799,8.350000227285646,8.350000327033694,8.35000036586104,8.350001026292274,0.57,0.02207243020313463,0.0009066967053594012,3.749655156205158e-05,1.6623697776429424e-06,-1.0103086439401094e-07,-7.319220109354202e-07,2.2728564489817398e-07,3.2703369162317054e-07,3.6586103802272645e-07,1.0262922718019387e-06,3.98,4.527927569796867,4.549093303294643,4.54996250344844,4.549998337630224,4.550000101030866,4.550000731922013,4.549999772714357,4.54999967296631,4.549999634138964,4.54999897370773,second
+272,8.94,100,3.221325301039582e+17,1.85,0.6151856390902335,60.7,Linear,Base,0,0.020110794443944154,0.013532785874392363,9.25,9.102370880483486,8.957097908100637,8.814143479315133,8.67347058085195,8.535042793262386,8.398824311149149,8.26477988128913,8.13287479894338,8.003074907857124,7.875346600259742,1.61,1.61,1.61,1.61,1.61,1.61,1.61,1.61,1.61,1.61,1.61,3.42,3.42,3.42,3.42,3.42,3.42,3.42,3.42,3.42,3.42,3.42,first
+276,1.49,100,3.5073176037203226e+17,3.45,1.2383742310432684,39.7,Unknown,None,0,0.041562087492574736,0.02724975704213009,4.0,3.96675033000594,3.9335006600118803,3.9002509900178204,3.8670013200237605,3.8337516500297006,3.800501980035641,3.7672523100415813,3.7340026400475215,3.7007529700534616,3.6675033000594017,1.12,1.12,1.12,1.12,1.12,1.12,1.12,1.12,1.12,1.12,1.12,3.38,3.4132496699940598,3.4464993399881196,3.4797490099821795,3.5129986799762394,3.5462483499702993,3.5794980199643587,3.6127476899584186,3.6459973599524784,3.6792470299465383,3.712496699940598,zero
+280,7.24,98,1.251600197404506e+17,4.64,1.534714366238164,56.8,Ring,None,0,0.06526514743992497,0.05293101466430288,5.54,5.258166397192329,4.9906704567350495,4.736781782491268,4.495801890440591,4.267081166761236,4.050001382490549,3.8439712566266375,3.648426456128362,3.4628295959153457,3.28667023886797,0.43,0.43,0.43,0.43,0.43,0.43,0.43,0.43,0.43,0.43,0.43,2.09,2.09,2.09,2.09,2.09,2.09,2.09,2.09,2.09,2.09,2.09,first
+277,9.02,99,1.5038559820096966e+17,4.65,1.536867219599265,50.1,Ring,Enzyme,0,0.032198373631534966,0.019615876741394846,5.67,5.05835452373239,4.576203092429785,4.18538553445146,3.8645275022610193,3.597377951159272,3.370037392464305,3.1723232397440033,3.000297630079548,2.8494577342161147,2.7160764542490563,4.75,4.13835452373239,3.6562030924297857,3.265385534451461,2.94452750226102,2.677377951159273,2.4500373924643055,2.252323239744004,2.0802976300795484,1.9294577342161152,1.7960764542490568,2.27,2.881645476267609,3.363796907570214,3.7546144655485385,4.075472497738979,4.342622048840727,4.569962607535694,4.767676760255996,4.939702369920451,5.090542265783884,5.223923545750942,second
+276,6.35,96,2.6634263158463706e+17,3.06,1.1184149159642893,175.0,Unknown,None,1,0.18039066243694923,0.1522273926145715,8.53,2.839709644805202,2.146736372716004,1.976861598413033,1.9289335987447784,1.9153222455815169,1.9114030753889124,1.9097492025910552,1.9097727072857733,1.9096326482803505,1.9094835201123774,1.82,1.82,1.82,1.82,1.82,1.82,1.82,1.82,1.82,1.82,1.82,1.01,3.855145177597399,4.201631813641997,4.286569200793482,4.31053320062761,4.317338877209242,4.319298462305543,4.320125398704472,4.320113646357113,4.320183675859824,4.3202582399438105,second
+271,7.38,91,3.9657588089850675e+17,3.71,1.3110318766193438,121.7,Unknown,Enzyme,0,1.1419514330439535,0.7512330185060551,1.43,0.4102048041165513,0.29608096025850056,0.2436127845552417,0.2115691730767737,0.18980750643169542,0.17341208860275725,0.16070026593637632,0.15053191913211703,0.14201523667817378,0.1347615432846897,4.0,4.0,4.0,4.0,4.0,4.0,4.0,4.0,4.0,4.0,4.0,3.66,3.999931731961149,4.037973013247166,4.055462405148252,4.066143608974408,4.073397497856101,4.0788626371324135,4.083099911354541,4.086489360289294,4.089328254440608,4.091746152238437,third
+274,13.54,91,2.110783021745764e+17,3.33,1.2029723039923526,43.3,Ring,None,0,0.945836685639431,0.7679619905732239,8.41,7.174684678686018,7.170020624098807,7.170000074709909,7.170000202641994,7.16999975327714,7.170001040646588,7.169998789144523,7.1700002612119516,7.170000748540746,7.170000329040884,1.24,0.004684678686019309,2.0624098808223574e-05,7.470991012399657e-08,2.0264199399624317e-07,-2.467228597440704e-07,1.0406465880331527e-06,-1.2108554769316892e-06,2.612119518414514e-07,7.485407460326224e-07,3.2904088390549147e-07,1.72,2.955315321313981,2.9599793759011916,2.95999992529009,2.959999797358006,2.96000024672286,2.9599989593534124,2.9600012108554776,2.9599997387880483,2.959999251459254,2.959999670959116,second
+270,7.83,95,4.4222551883272664e+16,3.3,1.1939224684724346,56.9,Linear,Acid,0,0.01845547350323159,0.014996512919014065,7.13,6.603305140661494,6.358375382636997,6.231011741847748,6.16154577631816,6.122436226494642,6.100271674946246,6.0874918363064765,6.080138251647447,6.075880915958403,6.073413795189126,0.53,0.2666525703307467,0.1441876913184989,0.08050587092387405,0.04577288815908011,0.026218113247321078,0.015135837473123193,0.008745918153238453,0.005069125823723597,0.002940457979201576,0.0017068975945628113,1.62,1.8833474296692534,2.005812308681501,2.069494129076126,2.10422711184092,2.123781886752679,2.134864162526877,2.141254081846762,2.1449308741762767,2.1470595420207985,2.1482931024054372,third
+277,5.32,94,2.304648984381337e+17,1.02,0.01980262729617973,149.7,Linear,Acid,0,0.4326433850267444,0.3693289529722586,9.63,6.247816520177465,5.9777517554970405,5.944813725542553,5.940616809497532,5.940079054027414,5.94001034636209,5.940001532521891,5.940000333954544,5.9399998340620055,5.940000185629032,3.69,0.3078165201774636,0.037751755497038714,0.004813725542551521,0.0006168094975298262,7.905402741259886e-05,1.0346362087658805e-05,1.5325218886748836e-06,3.3395454118745713e-07,-1.6593799727347343e-07,1.8562902913778415e-07,4.0,7.382183479822536,7.65224824450296,7.685186274457448,7.689383190502469,7.689920945972586,7.689989653637911,7.68999846747811,7.689999666045456,7.690000165937995,7.689999814370969,second
+274,3.13,99,1.2865761368473434e+17,3.6,1.2809338454620642,171.2,Branched,None,0,0.017204972944084598,0.01402937429902507,2.32,2.180726618415444,2.0572312197584752,1.9469394571027743,1.847749915066845,1.7582242399493568,1.6771148428405516,1.6033020189020735,1.53579394736697,1.4737266915396914,1.4163641987960907,2.86,2.86,2.86,2.86,2.86,2.86,2.86,2.86,2.86,2.86,2.86,4.32,4.389636690792278,4.451384390120763,4.5065302714486135,4.556125042466578,4.600887880025322,4.641442578579725,4.6783489905489635,4.712103026316516,4.743136654230155,4.771817900601955,second
+272,9.7,100,1.555033642226699e+17,3.51,1.2556160374777743,112.5,Linear,Base,1,0.00970810427687839,0.005085673216487181,5.47,5.452758328252897,5.4363526724754445,5.420738359393603,5.405873346346467,5.3917189542150705,5.378238499091684,5.365397168805119,5.35316202292073,5.341501992740416,5.330387881302615,0.44,0.4227583282528979,0.40635267247544526,0.3907383593936031,0.3758733463464672,0.3617189542150708,0.34823849909168386,0.33539716880511894,0.32316202292073076,0.3115019927404164,0.3003878813026154,0.25,0.2672416717471021,0.28364732752455474,0.29926164060639693,0.3141266536535328,0.3282810457849292,0.34176150090831614,0.354602831194881,0.36683797707926924,0.3784980072595836,0.3896121186973846,second
+275,11.76,94,2.6264503090709197e+17,2.57,0.9439058989071284,121.6,Linear,Acid,0,0.3664161877605254,0.24196660352844707,1.21,0.9025494961752276,0.6732342856823118,0.501706542898029,0.3742593569036631,0.2797035467631881,0.20859854653042245,0.15551606217987796,0.1161471015097491,0.08669959625896413,0.06467170177324644,1.2,1.2,1.2,1.2,1.2,1.2,1.2,1.2,1.2,1.2,1.2,4.79,5.097450503824772,5.3267657143176885,5.498293457101971,5.625740643096337,5.720296453236812,5.791401453469578,5.844483937820122,5.883852898490251,5.913300403741036,5.935328298226754,first
+279,1.95,98,7.303335160645579e+16,3.6,1.2809338454620642,48.3,Linear,Acid,1,0.0327496934486083,0.027432643107657393,6.11,4.669192770303262,3.813070861700573,3.256381167458845,2.8680858883336935,2.588147847072827,2.3807021786767812,2.2206427051664663,2.096993241712786,2.0009133038465943,1.9245448158951024,3.61,3.61,3.61,3.61,3.61,3.61,3.61,3.61,3.61,3.61,3.61,0.76,1.480403614848369,1.908464569149714,2.1868094162705773,2.3809570558331536,2.520926076463587,2.6246489106616098,2.7046786474167672,2.7665033791436073,2.8145433480767035,2.852727592052449,second
+279,11.18,92,1.770946306715528e+17,1.91,0.6471032420585384,72.8,Linear,Acid,0,1.0550124009033306,0.8177192930893514,6.86,2.9479459933917207,1.26921055498691,0.5462448680878815,0.2351875320012689,0.10127261685542988,0.04360115966153994,0.018759982551136672,0.008068124520159842,0.0034703659460354583,0.001495176953683176,0.36,0.36,0.36,0.36,0.36,0.36,0.36,0.36,0.36,0.36,0.36,2.82,2.82,2.82,2.82,2.82,2.82,2.82,2.82,2.82,2.82,2.82,first
+274,10.97,98,3.152142107549074e+17,1.7,0.5306282510621704,165.9,Branched,Enzyme,1,0.06538355770982866,0.042871651609403316,5.62,5.041102328571269,4.664912115928821,4.408761045576262,4.231964141842917,4.105280840897183,4.013688306999102,3.9478406915797177,3.899349315881733,3.8633805088154944,3.83683225877969,3.02,2.4411023285712687,2.064912115928821,1.808761045576261,1.6319641418429156,1.5052808408971816,1.413688306999101,1.347840691579717,1.2993493158817326,1.2633805088154937,1.2368322587796892,4.79,5.368897671428731,5.745087884071179,6.001238954423738,6.178035858157084,6.3047191591028175,6.396311693000898,6.462159308420283,6.510650684118267,6.546619491184506,6.573167741220311,second
+280,13.34,90,2.331388999834598e+17,1.46,0.37843643572024505,116.0,Unknown,None,0,3.7783538780558192,2.680085140456627,1.15,0.05611908600230789,0.0027413917756190366,0.0001338721191975285,6.788446095659131e-06,2.0428576742613215e-07,-2.509377269819409e-07,-1.221518643171348e-06,2.1237869417271798e-06,8.619501108436322e-07,3.307250956610136e-07,4.01,4.01,4.01,4.01,4.01,4.01,4.01,4.01,4.01,4.01,4.01,4.99,4.99,4.99,4.99,4.99,4.99,4.99,4.99,4.99,4.99,4.99,first
+278,3.78,94,4.2623906681096525e+17,4.84,1.5769147207285403,192.2,Branched,Base,1,0.9267078233073917,0.8175305137487522,4.73,1.4351893088987797,1.4351502512657206,1.4375179106310807,1.4364824683265824,1.4352388201626143,1.4372842843657023,1.4367933753321007,1.435213592120852,1.4370173176130463,1.4374611634983547,2.56,2.56,2.56,2.56,2.56,2.56,2.56,2.56,2.56,2.56,2.56,2.26,3.3582702303670726,3.358283249578092,3.3574940297896387,3.357839177224471,3.3582537266124604,3.3575719052114312,3.3577355415559644,3.3582621359597145,3.3576608941289825,3.3575129455005466,third
+276,11.12,97,3.7970359690201363e+17,3.5,1.252762968495368,103.6,Unknown,Acid,0,0.16632414542467922,0.14796471948950193,7.52,1.6120089278472658,1.0919233439548441,0.8581818421029683,0.7183289439724085,0.624377775990122,0.5547137542922409,0.5013509571710629,0.4589649874604148,0.42379569484714086,0.3942581351020327,4.22,1.2660044639236325,1.0059616719774216,0.8890909210514838,0.819164471986204,0.7721888879950607,0.7373568771461202,0.7106754785855313,0.6894824937302071,0.6718978474235703,0.6571290675510162,4.64,7.593995536076366,7.854038328022577,7.970909078948515,8.040835528013794,8.087811112004939,8.12264312285388,8.149324521414469,8.170517506269793,8.18810215257643,8.202870932448985,third
+275,3.38,96,2.7215122853466252e+16,4.68,1.5432981099295553,192.2,Ring,Enzyme,0,0.015831196921687246,0.009404863074852443,2.28,2.2513059845533654,2.222973086030661,2.1949967597960383,2.1673725178846417,2.1400959284631718,2.1131626181084617,2.0865682672560704,2.060308609615642,2.0343794321709074,2.0087765751796844,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,2.81,2.81,2.81,2.81,2.81,2.81,2.81,2.81,2.81,2.81,2.81,first
+279,13.76,94,2.1556410385764787e+17,4.62,1.5303947050936475,185.8,Branched,None,1,0.5422171199361342,0.4120556093409388,8.16,8.42236910954813,8.426711519003474,8.426642196759445,8.42615042941973,8.4266651298081,8.426870293082901,8.426750745823808,8.426315521189494,8.426280045888952,8.426660239608914,0.06,0.3223691095481312,0.326711519003474,0.3266421967594447,0.3261504294197299,0.3266651298080998,0.3268702930828989,0.32675074582380603,0.32631552118949236,0.3262800458889504,0.32666023960891255,3.89,3.627630890451869,3.6232884809965262,3.6233578032405553,3.6238495705802705,3.6233348701919,3.6231297069171013,3.6232492541761943,3.623684478810508,3.62371995411105,3.623339760391088,second
+280,4.13,97,3.588937634043367e+17,2.52,0.9242589015233319,115.0,Unknown,Enzyme,0,0.28756805199937263,0.23264492337780796,9.55,7.810001114022834,7.80999902355251,7.80999920998605,7.8100016845418265,7.810001510960966,7.809998871200152,7.809999445800162,7.81000106392246,7.810003047552808,7.81000048572008,0.87,5.570114160092803e-07,-4.882237460692557e-07,-3.950069757704199e-07,8.422709124671384e-07,7.554804817601334e-07,-5.643999252727266e-07,-2.7709992042687114e-07,5.319612280821416e-07,1.5237764017448774e-06,2.4286003800677735e-07,3.77,4.639999442988586,4.640000488223747,4.640000395006976,4.639999157729087,4.639999244519519,4.640000564399926,4.6400002770999205,4.6399994680387735,4.6399984762236,4.639999757139964,third
+271,1.49,97,4.433091341369427e+17,3.01,1.1019400787607843,150.6,Branched,None,1,0.08902249306912689,0.06764241900470122,8.17,7.496708962495976,7.164629266449917,6.9884196132246155,6.892878156291686,6.841324039437738,6.812317177035491,6.796743459468169,6.787739651573951,6.7828696478778845,6.780317937585066,2.1,1.4267089624959763,1.0946292664499162,0.9184196132246152,0.822878156291686,0.7713240394377376,0.7423171770354914,0.7267434594681688,0.7177396515739524,0.7128696478778851,0.7103179375850668,4.91,5.583291037504024,5.915370733550083,6.091580386775385,6.187121843708314,6.238675960562262,6.267682822964509,6.2832565405318315,6.292260348426049,6.297130352122116,6.299682062414934,second
+275,4.03,93,2.8560188987034896e+17,2.41,0.8796267475025636,116.6,Branched,None,0,0.6170460065404197,0.531215941822131,7.55,0.5803286994839153,0.41118052765013907,0.33573366624978995,0.2909709932169877,0.26015884246377424,0.23769801245427002,0.21999392722633118,0.2057414890969514,0.19401077229508756,0.18407008664839694,3.54,3.54,3.54,3.54,3.54,3.54,3.54,3.54,3.54,3.54,3.54,3.79,6.113223766838694,6.169606490783286,6.194755444583402,6.209676335594336,6.219947052512074,6.227433995848576,6.233335357591223,6.238086170301016,6.24199640923497,6.245309971117201,third
+279,6.55,100,7.546744299647888e+16,3.58,1.275362800412609,90.7,Linear,None,0,0.014288618978242981,0.012816625433831516,4.25,4.201695304367287,4.153939630801912,4.106726739226534,4.060050459403598,4.0139046922843535,3.9682834103754194,3.923180652907783,3.8785905257246114,3.834507201281254,3.7909249186452407,0.95,0.95,0.95,0.95,0.95,0.95,0.95,0.95,0.95,0.95,0.95,2.98,3.0283046956327127,3.0760603691980877,3.1232732607734657,3.1699495405964018,3.2160953077156464,3.2617165896245806,3.306819347092217,3.3514094742753886,3.395492798718746,3.4390750813547593,first
+272,10.4,93,2.3735472163819683e+17,0.57,-0.5621189181535413,137.2,Ring,None,0,0.32742730520596247,0.16730750264211408,9.49,7.303052373651685,5.619583199595785,4.321846342204934,3.3267000610385673,2.563086832573551,1.9718458725567956,1.5166932430918234,1.168139313796213,0.8997985691972494,0.6924455589814996,1.9,1.9,1.9,1.9,1.9,1.9,1.9,1.9,1.9,1.9,1.9,4.94,7.126947626348317,8.810416800404216,10.108153657795068,11.103299938961435,11.86691316742645,12.458154127443207,12.913306756908177,13.26186068620379,13.530201430802752,13.737554441018501,first
+272,4.79,95,2.6289600155680083e+17,4.27,1.451613827240533,195.3,Ring,Acid,0,0.1497645038505417,0.07604064210502667,8.32,1.1702084732447504,0.8319572376410189,0.6800122295244437,0.5895634005632665,0.5274004398723512,0.4819529490309821,0.446064050734346,0.417240753441499,0.39354959246458987,0.3734486495100464,0.57,0.57,0.57,0.57,0.57,0.57,0.57,0.57,0.57,0.57,0.57,3.04,5.4232638422517505,5.53601425411966,5.586662590158519,5.616812199812244,5.637533186709216,5.652682350323006,5.664645316421884,5.6742530821861665,5.682150135845136,5.688850450163318,third
+272,4.93,91,2.2286628139569917e+17,2.6,0.9555114450274363,143.5,Linear,None,0,0.7444807834826147,0.5795191372423288,3.42,0.5240276592956745,0.3725462954720559,0.3047931976970032,0.2643849676724273,0.23646052539187962,0.21596318245405238,0.2001179493890998,0.18717022330700073,0.17645648995959057,0.16739345541001474,1.79,1.79,1.79,1.79,1.79,1.79,1.79,1.79,1.79,1.79,1.79,0.62,1.5853241135681089,1.635817901509315,1.6584022674343326,1.6718716774425246,1.681179824869374,1.6880122725153164,1.6932940168703006,1.6976099255643335,1.7011811700134702,1.7042021815299955,third
+270,7.97,97,6.322721659095848e+16,4.74,1.556037135706985,170.9,Branched,Base,0,0.010825506416153556,0.00919740477400893,9.19,5.7642191618901615,4.523016049468312,3.8386321997336696,3.384932821050073,3.0606477372896235,2.809828614456445,2.6107335864802654,2.4485726075412337,2.3117229797978887,2.193946707424352,4.81,3.0971095809450806,2.476508024734156,2.134316099866835,1.9074664105250363,1.7453238686448116,1.6199143072282223,1.5203667932401326,1.4392863037706167,1.3708614898989442,1.3119733537121758,4.53,6.24289041905492,6.863491975265844,7.205683900133165,7.432533589474963,7.594676131355188,7.720085692771778,7.8196332067598675,7.900713696229384,7.969138510101057,8.028026646287824,third
+275,11.89,92,8.389561235614122e+16,2.09,0.7371640659767196,26.2,Unknown,Acid,1,0.28070278600472465,0.21807442915661657,5.05,1.3225988908305921,1.3007529512214584,1.2998862638607198,1.3001688616871552,1.299324538130634,1.2995841127866907,1.3010948210151612,1.3016290333168077,1.2998965702274214,1.3003917375823562,4.86,2.9962994454152967,2.9853764756107304,2.984943131930361,2.985084430843578,2.9846622690653177,2.984792056393346,2.985547410507581,2.9858145166584045,2.984948285113711,2.9851958687911786,4.62,6.483700554584703,6.4946235243892705,6.49505686806964,6.494915569156423,6.495337730934684,6.495207943606656,6.49445258949242,6.494185483341596,6.49505171488629,6.494804131208823,third
+275,5.25,100,2.2999321805730717e+17,4.54,1.5129270120532565,81.4,Ring,Acid,0,0.023260254327580943,0.015997661778529047,1.04,0.8760149654968776,0.7580750348280073,0.6690667622064473,0.5997354861742175,0.5434629493403685,0.4969302163655794,0.45807689427255216,0.42512390645678544,0.39661667443302434,0.37164600386085134,4.88,4.798007482748438,4.739037517414003,4.694533381103223,4.6598677430871085,4.631731474670184,4.60846510818279,4.589038447136276,4.5725619532283925,4.558308337216512,4.545823001930425,0.1,0.18199251725156126,0.2409624825859964,0.2854666188967764,0.3201322569128913,0.3482685253298158,0.3715348918172104,0.39096155286372397,0.40743804677160733,0.4216916627834879,0.4341769980695744,third
+270,2.85,96,2.2297731603793008e+17,1.98,0.6830968447064438,187.1,Ring,Enzyme,0,0.05960373273852486,0.04953259115432082,1.65,1.5731693748750937,1.4999163087568301,1.4300740734436594,1.3634826768727428,1.2999919827750475,1.2394586332000617,1.1817450927354012,1.1267196485068074,1.0742564101781495,1.0242353099514232,1.81,1.81,1.81,1.81,1.81,1.81,1.81,1.81,1.81,1.81,1.81,0.63,0.63,0.63,0.63,0.63,0.63,0.63,0.63,0.63,0.63,0.63,first
+279,10.1,91,3.432177389861546e+17,4.58,1.5216989981260935,179.7,Linear,Acid,0,3.1466583391821503,2.725433199651037,5.33,0.4307686915229951,0.03487200579202334,0.0028171114636593177,0.0002284284851047467,1.869542527659438e-05,1.4234798336076288e-06,-1.2822367126763392e-08,-2.1012178083561127e-07,5.899850010430587e-07,1.1184190575933836e-07,4.34,4.34,4.34,4.34,4.34,4.34,4.34,4.34,4.34,4.34,4.34,1.05,1.05,1.05,1.05,1.05,1.05,1.05,1.05,1.05,1.05,1.05,first
+280,8.65,93,3.5000657504931245e+17,3.07,1.1216775615991057,26.5,Branched,None,1,1.563460885846559,1.074321010235202,9.72,7.243712775763005,7.243725381467534,7.243641489002032,7.243700489803815,7.243694657850837,7.243635597617855,7.243712197080485,7.243726340983677,7.24366530834301,7.243699467966253,1.26,0.021856387881501675,0.0218626907337664,0.021820744501014684,0.021850244901905815,0.02184732892541749,0.02181779880892659,0.021856098540241807,0.021863170491837756,0.021832654171503214,0.021849733983125022,0.43,1.668143612118498,1.6681373092662333,1.668179255498985,1.6681497550980944,1.6681526710745822,1.6681822011910734,1.6681439014597579,1.6681368295081622,1.6681673458284971,1.6681502660168748,third
+280,13.68,99,2.97967299693322e+17,3.27,1.184789984909162,194.2,Linear,None,1,0.10111725751440497,0.05845500449267902,3.08,1.5952952190032303,1.4479068854418007,1.4182747179848116,1.411968618270016,1.410268545928586,1.4097449817734855,1.4099041982203302,1.4096898741692594,1.409485736573587,1.410461927530642,1.28,1.28,1.28,1.28,1.28,1.28,1.28,1.28,1.28,1.28,1.28,4.29,4.78490159366559,4.834031038186068,4.843908427338397,4.846010460576662,4.846577151357139,4.8467516727421724,4.846698600593224,4.846770041943581,4.8468380878088055,4.84651269082312,third
+274,9.76,93,1.815209023567675e+17,3.52,1.2584609896100056,186.1,Linear,Base,0,0.33807315702567553,0.23911484624739177,2.17,1.6557662722862874,1.263260740159164,0.9632970674423942,0.7352946225764778,0.5616836168861449,0.42836003530710504,0.3267490659662665,0.2495986910958179,0.19056459861858654,0.14540706756835725,1.6,1.6,1.6,1.6,1.6,1.6,1.6,1.6,1.6,1.6,1.6,1.08,1.5942337277137129,1.9867392598408364,2.286702932557606,2.5147053774235224,2.6883163831138552,2.821639964692895,2.923250934033734,3.0004013089041823,3.0594354013814136,3.104592932431643,first
+272,12.08,93,3.7701024757777786e+17,0.53,-0.6348782724359695,182.5,Branched,Enzyme,1,0.5200800243088955,0.4284308888741351,2.7,1.7427659994821147,1.708583077974503,1.7065209639544217,1.706236145651317,1.706045784981046,1.7073290800560648,1.7070454945578437,1.706506744084182,1.7059711525214132,1.7067085984082895,0.94,0.4613829997410573,0.4442915389872513,0.4432604819772107,0.44311807282565835,0.4430228924905228,0.4436645400280322,0.44352274727892166,0.4432533720420907,0.4429855762607063,0.4433542992041444,1.07,1.5486170002589428,1.5657084610127487,1.5667395180227892,1.5668819271743415,1.5669771075094772,1.5663354599719677,1.5664772527210782,1.566746627957909,1.5670144237392933,1.5666457007958552,third
+273,12.58,92,3.852839198169029e+16,2.81,1.0331844833456545,127.6,Unknown,Base,0,0.09599812976376511,0.07687660341234784,6.15,1.435142728725246,1.0295500429993298,0.844221026533443,0.7326977559514413,0.6563815772170267,0.5999689061154512,0.5554953371744155,0.5199207325044193,0.49065679453764094,0.4656461366158179,0.19,0.19,0.19,0.19,0.19,0.19,0.19,0.19,0.19,0.19,0.19,2.48,4.051619090424918,4.186816652333556,4.248592991155519,4.285767414682852,4.311206140927657,4.3300103646281825,4.344834887608528,4.3566930891651925,4.366447735154119,4.37478462112806,third
+274,3.23,99,4.356503506767119e+17,2.22,0.7975071958841882,139.5,Unknown,None,1,0.058258133986851215,0.0452829114173028,7.83,1.9842970623646332,1.5982343874695248,1.4778412832134133,1.432102508297221,1.4126817043060524,1.4053131175124634,1.401461990533715,1.400479847629579,1.3997418144650005,1.3993950486784588,1.39,1.39,1.39,1.39,1.39,1.39,1.39,1.39,1.39,1.39,1.39,1.38,3.3285676458784557,3.457255204176825,3.497386238928862,3.5126324972342595,3.5191060985646487,3.5215622941625115,3.522846003155428,3.5231733841234734,3.523419395178333,3.5235349837738466,third
+272,5.72,92,8.841162067026822e+16,4.15,1.423108334242607,125.8,Branched,Acid,0,0.18978960572416206,0.1374319239873795,4.16,3.5739910215138124,3.070515200703307,2.6372291909638688,2.264854060135784,1.9455833256404473,1.6721014867461947,1.4375840245683056,1.2356974020690021,1.0616279041192687,0.9120807513527044,2.44,2.44,2.44,2.44,2.44,2.44,2.44,2.44,2.44,2.44,2.44,2.32,2.9060089784861876,3.4094847992966932,3.8427708090361317,4.215145939864216,4.534416674359553,4.8078985132538055,5.042415975431695,5.244302597930998,5.418372095880732,5.567919248647296,first
+280,12.01,99,3.860479871410443e+17,2.52,0.9242589015233319,44.5,Ring,Acid,1,0.13100804608034491,0.10989158231193387,1.69,1.098646921871963,0.9646677596892106,0.9245842090628125,0.9117806335751257,0.9077927654954078,0.9060772307946036,0.905899413314403,0.9054459309250993,0.9055051286058041,0.9056692740667127,2.85,2.5543234609359815,2.4873338798446056,2.4672921045314067,2.4608903167875633,2.4588963827477044,2.458038615397302,2.457949706657202,2.4577229654625503,2.457752564302903,2.4578346370333573,2.01,2.3056765390640184,2.3726661201553942,2.392707895468593,2.3991096832124366,2.4011036172522955,2.4019613846026977,2.402050293342798,2.4022770345374496,2.402247435697097,2.4021653629666426,third
+274,5.89,100,2.566114831080688e+17,0.77,-0.2613647641344075,122.4,Unknown,Base,0,0.022123321530855975,0.019034074815909248,9.76,2.9331908711004973,2.1217055831220106,1.7471726738582454,1.5181113478107684,1.3622343852767287,1.2447061833157669,1.153757179724672,1.0808610899678188,1.0196539161011262,0.967635651849328,2.75,2.75,2.75,2.75,2.75,2.75,2.75,2.75,2.75,2.75,2.75,1.83,4.105603042966501,4.37609813895933,4.500942442047252,4.577296217396412,4.629255204907758,4.668431272228078,4.6987476067584435,4.723046303344061,4.743448694632959,4.760788116050225,third
+273,6.17,93,3.978112295632199e+17,1.45,0.371563556432483,141.9,Linear,Acid,1,0.6379936243356821,0.5301147165860653,8.36,5.595637907338966,4.510119482193617,4.084204692771537,3.9161971096353727,3.8498569636788753,3.8250143862975587,3.8138452646045025,3.8108240656645767,3.808787500462702,3.808143308508778,3.18,3.18,3.18,3.18,3.18,3.18,3.18,3.18,3.18,3.18,3.18,0.03,2.794362092661034,3.8798805178063827,4.305795307228463,4.4738028903646265,4.540143036321124,4.564985613702441,4.576154735395497,4.5791759343354235,4.581212499537298,4.581856691491222,first
+272,8.34,93,1.2727425279561358e+17,4.41,1.4838746894587547,186.6,Ring,Base,0,0.17557293711010744,0.12432364411832209,9.17,2.5707332228621844,1.494495401490458,1.054145536288392,0.8139108350862714,0.6627269128699771,0.559088501960547,0.48370927035664063,0.4257579869983273,0.38045065024908686,0.3438888922246787,2.57,2.57,2.57,2.57,2.57,2.57,2.57,2.57,2.57,2.57,2.57,1.86,5.159633388568908,5.697752299254771,5.917927231855804,6.038044582456863,6.11363654356501,6.165455749019726,6.203145364821679,6.232121006500836,6.254774674875455,6.27305555388766,second
+271,13.59,97,4.0209898954126214e+17,3.64,1.2919836816486494,142.6,Linear,None,0,0.0807469365124388,0.07264244295161988,8.35,7.827662877852096,7.33800073252531,6.878929040167236,6.4485494876791005,6.045112955526726,5.666954019834338,5.3124909523845645,4.980225720618433,4.668743987635372,4.376715112193208,1.36,1.36,1.36,1.36,1.36,1.36,1.36,1.36,1.36,1.36,1.36,2.34,2.8623371221479035,3.3519992674746897,3.8110709598327634,4.241450512320899,4.644887044473274,5.023045980165661,5.377509047615435,5.709774279381566,6.021256012364628,6.313284887806791,first
+270,9.99,93,3.711052021604065e+17,3.5,1.252762968495368,130.3,Ring,Enzyme,1,0.3774988806585762,0.28173049770794556,7.32,1.709306357804707,1.7106039431797069,1.7087121428674923,1.709136965051569,1.7097186054927815,1.7082320764591057,1.7107779080045877,1.7078331692819393,1.7112092354890531,1.709695475661178,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.82,6.690231214065098,6.689798685606765,6.690429285710835,6.6902876783161425,6.690093798169071,6.690589307846963,6.689740697331802,6.690722276906019,6.6895969215036475,6.69010150811294,third
+279,3.6,94,4.062033452342856e+17,3.66,1.297463147413275,112.3,Ring,None,0,1.0217397239143506,0.8348958821800953,1.58,0.43510962578625534,0.3134968740536081,0.25780000185692725,0.22392128720707818,0.20077650834218938,0.18341019107570858,0.17003360716164942,0.15923791623282504,0.1501738535542352,0.14250019421432375,3.5,3.5,3.5,3.5,3.5,3.5,3.5,3.5,3.5,3.5,3.5,3.48,3.861630124737915,3.9021677086487974,3.9207333327143576,3.9320262375976407,3.939741163885937,3.9455299363080973,3.9499887976127837,3.953587361255725,3.9566087154819214,3.9591666019285587,third
+277,9.57,100,3.1692344676432826e+17,3.81,1.3376291891386096,137.8,Branched,Enzyme,1,0.04395441863359831,0.03448862419378903,6.45,5.626146999809292,5.057313730156564,4.646968645770466,4.34539560961503,4.116073487444455,3.93806073022777,3.800074716789657,3.6919716244546095,3.605456949727843,3.536204206403017,4.85,4.026146999809291,3.457313730156564,3.0469686457704657,2.74539560961503,2.516073487444454,2.3380607302277694,2.2000747167896564,2.091971624454609,2.0054569497278423,1.9362042064030165,3.57,4.393853000190709,4.962686269843436,5.373031354229534,5.67460439038497,5.903926512555546,6.0819392697722305,6.219925283210343,6.328028375545391,6.414543050272157,6.483795793596983,second
+273,9.99,97,4.4061577861728134e+17,4.02,1.3912819026309295,142.9,Linear,Enzyme,1,0.12129111627082495,0.08525721944878346,4.98,4.086359002086423,3.64493069956023,3.4018055493565873,3.261169581723065,3.179254962140868,3.129040493087581,3.0992329889175196,3.080866354903435,3.069453240454609,3.062579597514634,3.17,2.276359002086423,1.8349306995602297,1.5918055493565868,1.4511695817230645,1.3692549621408674,1.31904049308758,1.289232988917519,1.270866354903434,1.2594532404546084,1.2525795975146334,3.46,4.353640997913577,4.795069300439771,5.038194450643413,5.178830418276935,5.260745037859133,5.31095950691242,5.34076701108248,5.359133645096565,5.370546759545391,5.377420402485366,second
+275,9.76,94,1.1993077210214909e+17,3.25,1.1786549963416462,63.8,Unknown,Acid,1,0.16731546817038695,0.1168925036469434,6.41,5.657611327408678,5.0578062477523344,4.5802546457614435,4.2005034998452455,3.897503977871504,3.6555249544969692,3.463304608209641,3.3107753893492617,3.1889488096172776,3.0916291975075256,1.49,1.49,1.49,1.49,1.49,1.49,1.49,1.49,1.49,1.49,1.49,0.18,0.932388672591322,1.5321937522476656,2.0097453542385564,2.389496500154755,2.692496022128496,2.934475045503031,3.1266953917903595,3.2792246106507386,3.401051190382723,3.498370802492475,first
+277,12.13,90,2.0353509734977907e+17,1.19,0.17395330712343798,155.7,Unknown,None,1,2.1701145657426193,1.9251746829523233,4.13,1.2098821857692057,1.210790758442946,1.2118904358485738,1.2105935946022044,1.2105666993348,1.211916338868723,1.210620404279921,1.2117325050398473,1.2108714795445676,1.2108005414582381,3.31,3.31,3.31,3.31,3.31,3.31,3.31,3.31,3.31,3.31,3.31,0.19,1.6500589071153973,1.649604620778527,1.6490547820757133,1.6497032026988978,1.6497166503325997,1.6490418305656382,1.6496897978600396,1.6491337474800762,1.649564260227716,1.6495997292708808,second
+277,11.89,96,3.563619515562682e+17,2.72,1.000631880307906,128.0,Unknown,Enzyme,1,0.28070979787773065,0.16659170326487194,7.58,2.951563852958166,2.8650373837152685,2.8586271934286325,2.8581484765539757,2.8579406993729712,2.858409516732321,2.858338483048517,2.857640753389314,2.858160241202004,2.858822221643854,2.6,0.285781926479083,0.24251869185763453,0.2393135967143164,0.23907423827698807,0.23897034968648587,0.23920475836616054,0.2391692415242587,0.2388203766946572,0.23908012060100217,0.23941111082192715,0.93,3.2442180735209165,3.287481308142365,3.290686403285683,3.2909257617230114,3.2910296503135132,3.290795241633839,3.2908307584757406,3.291179623305342,3.290919879398997,3.2905888891780717,third
+270,3.78,93,2.0678259378541864e+16,4.23,1.4422019930581866,157.1,Branched,Acid,1,0.02103451992568184,0.01792886514726342,2.05,2.0750030813756664,2.098563448656249,2.1207467908861126,2.1416187953777905,2.161242851716484,2.179680644246343,2.196992551876787,2.213237648082509,2.2284737009034687,2.2427571729449003,0.58,0.6050030813756666,0.6285634486562491,0.6507467908861126,0.6716187953777906,0.6912428517164841,0.709680644246343,0.7269925518767876,0.7432376480825089,0.758473700903469,0.7727571729449003,3.19,3.1649969186243334,3.1414365513437508,3.119253209113887,3.0983812046222092,3.0787571482835157,3.060319355753657,3.0430074481232126,3.026762351917491,3.011526299096531,2.9972428270550995,second
+270,1.09,91,1.083747167300851e+17,1.69,0.5247285289349821,144.9,Branched,Base,1,0.26871000378791926,0.2183829281240995,9.99,2.7043254023734775,2.370326756428821,2.335013637760628,2.3309612524651433,2.330290548161429,2.328437450418365,2.332079328154219,2.3288150270013133,2.330787438865079,2.3308013130411744,2.2,2.2,2.2,2.2,2.2,2.2,2.2,2.2,2.2,2.2,2.2,2.85,6.492837298813262,6.6598366217855895,6.6774931811196865,6.6795193737674285,6.679854725919285,6.680781274790818,6.67896033592289,6.680592486499344,6.6796062805674605,6.679599343479413,second
+278,12.31,94,1.065049732504783e+17,4.87,1.5830939370944985,25.5,Unknown,Acid,0,0.23155782662253058,0.14807919040880158,3.44,2.201017970964674,1.9411961035335146,1.8349243538355111,1.7828703814019822,1.7553107044520024,1.7400560615348972,1.7314923475715407,1.726613616454808,1.7238102278079526,1.7222023594122464,0.86,0.24050898548233707,0.11059805176675722,0.0574621769177554,0.03143519070099101,0.017655352226001102,0.010028030767448487,0.0057461737857701905,0.0033068082274039044,0.0019051139039760886,0.001101179706123086,3.53,4.149491014517663,4.279401948233242,4.332537823082244,4.358564809299008,4.372344647773998,4.379971969232551,4.384253826214229,4.386693191772595,4.388094886096023,4.388898820293876,third
+270,12.79,94,2.6352537160246675e+17,1.61,0.4762341789963717,155.0,Ring,Enzyme,0,0.1717008493022981,0.13318018626266354,8.18,7.130143547719956,6.214869077926476,5.416138138417484,4.720090033125414,4.114278747964306,3.5871346778733093,3.1279646268166865,2.726988557300235,2.376993152510101,2.0719227372243294,2.12,2.12,2.12,2.12,2.12,2.12,2.12,2.12,2.12,2.12,2.12,1.76,2.809856452280044,3.725130922073524,4.523861861582517,5.219909966874585,5.825721252035693,6.352865322126691,6.812035373183313,7.213011442699765,7.563006847489899,7.868077262775671,first
+273,7.17,96,3.778521984161177e+17,3.5,1.252762968495368,43.2,Ring,Enzyme,0,0.161597072638005,0.13548899105222484,4.49,0.9119562989613689,0.5444416353299592,0.39256529833493403,0.30852823005261115,0.254551693465324,0.21706075713510567,0.18912045844205017,0.1678478855315274,0.15092551745523655,0.13703848250011968,4.77,2.9809781494806837,2.7972208176649787,2.7212826491674664,2.6792641150263052,2.6522758467326613,2.6335303785675523,2.6195602292210247,2.608923942765763,2.600462758727618,2.593519241250059,0.55,2.3390218505193157,2.5227791823350207,2.598717350832533,2.640735884973694,2.667724153267338,2.686469621432447,2.7004397707789747,2.7110760572342363,2.7195372412723815,2.7264807587499402,third
+274,1.28,91,2.4876894985812352e+17,0.84,-0.1743533871447778,123.9,Unknown,None,1,1.1147275518125224,0.6210856590691085,2.39,0.9930327413114584,0.9930670829265136,0.993233651037771,0.9930910612642563,0.993318527557337,0.9924927421924691,0.9934133749965403,0.9919304480428939,0.9935665989611658,0.9929764829573999,1.12,1.12,1.12,1.12,1.12,1.12,1.12,1.12,1.12,1.12,1.12,1.29,1.755655752896181,1.7556443056911624,1.7555887829874097,1.7556363129119146,1.7555604908142208,1.75583575260251,1.7555288750011528,1.7560231839857017,1.7554778003462777,1.7556745056808662,third
+271,8.68,91,8.314563227994371e+16,4.62,1.5303947050936475,104.9,Unknown,Acid,0,0.23942019297367925,0.13234635082208468,9.16,7.563314880433062,6.2445154317744205,5.154233745032165,4.255403360028682,3.5151968917419225,2.904023328263497,2.3975997086450125,1.979485383325817,1.6346894645951109,1.3500071074366349,3.63,3.63,3.63,3.63,3.63,3.63,3.63,3.63,3.63,3.63,3.63,2.26,3.8566851195669383,5.1754845682255795,6.265766254967835,7.164596639971318,7.904803108258077,8.515976671736503,9.022400291354987,9.440514616674182,9.78531053540489,10.069992892563365,first
+270,1.91,94,7.137676599153776e+16,2.65,0.9745596399981308,188.8,Branched,Base,1,0.046505773871693884,0.0361598365457872,6.3,6.208114920216514,6.1221099457960655,6.041608788874603,5.966255628596922,5.895722018653876,5.829704907672435,5.767916936487753,5.710086405428747,5.655957274318105,5.605289162472282,0.96,0.96,0.96,0.96,0.96,0.96,0.96,0.96,0.96,0.96,0.96,4.82,4.911885079783486,4.997890054203935,5.078391211125397,5.153744371403078,5.224277981346123,5.290295092327565,5.352083063512247,5.409913594571253,5.464042725681895,5.514710837527718,first
+279,10.67,95,3.648880630174129e+17,2.72,1.000631880307906,113.8,Linear,Enzyme,1,0.5963877922706081,0.44644750548763656,9.36,1.5334049275324935,1.5330436619015098,1.5321827671526025,1.5341925665697904,1.5350075013381093,1.5350296539229507,1.535034073675596,1.5330942019620868,1.532965166420321,1.5340281586119935,2.98,2.98,2.98,2.98,2.98,2.98,2.98,2.98,2.98,2.98,2.98,2.21,4.818865024155836,4.818985446032831,4.819272410949133,4.81860247781007,4.8183308328872965,4.81832344869235,4.818321975441468,4.818968599345971,4.8190116111932255,4.818657280462667,third
+271,12.98,94,2.4770648796225162e+17,1.53,0.4252677354043441,88.5,Unknown,Base,0,0.18836256091112819,0.12744095695059296,4.19,3.603874932408739,3.099748134898605,2.665467485132599,2.2911987226113824,1.9697742369732456,1.6943784037249374,1.458520272234996,1.2560335657337505,1.0810811153365592,0.9298532817532037,3.34,3.34,3.34,3.34,3.34,3.34,3.34,3.34,3.34,3.34,3.34,2.24,2.24,2.24,2.24,2.24,2.24,2.24,2.24,2.24,2.24,2.24,first
+275,11.17,98,4.729188394323362e+16,1.05,0.04879016416943205,29.0,Unknown,Base,1,0.011470650716926475,0.00928584115510223,6.03,5.463661699221813,5.00401832754387,4.623282521333437,4.304416872738855,4.036553714943293,3.809581485985355,3.614117502455101,3.441720692455781,3.2897429776400076,3.1560656530992977,4.4,4.4,4.4,4.4,4.4,4.4,4.4,4.4,4.4,4.4,4.4,2.42,2.7031691503890936,2.9329908362280652,3.1233587393332813,3.282791563630572,3.4167231425283537,3.5302092570073222,3.6279412487724496,3.7141396537721096,3.7901285111799963,3.8569671734503514,second
+272,4.18,99,2.5213875795860797e+17,2.39,0.8712933659434193,140.9,Linear,Enzyme,1,0.024495161439612747,0.016159600140023954,5.73,5.015259716337114,4.678527668052545,4.491690996864854,4.3802938734303565,4.311051982514877,4.266737201843796,4.238200307734525,4.21921902459104,4.206901210545171,4.198718699841424,0.92,0.5626298581685572,0.3942638340262723,0.300845498432427,0.24514693671517843,0.2105259912574389,0.188368600921898,0.17410015386726246,0.1646095122955203,0.15845060527258578,0.15435934992071249,3.1,3.457370141831443,3.625736165973728,3.7191545015675733,3.774853063284822,3.8094740087425616,3.8316313990781024,3.8458998461327374,3.85539048770448,3.8615493947274144,3.8656406500792877,third
+274,12.71,95,3.11591941364448e+17,4.94,1.5973653311998313,41.1,Ring,Base,0,0.24120246919255514,0.19441479621177113,8.58,7.374138793472797,7.1157527020528955,7.051895055145542,7.035642771781741,7.031452946818556,7.030374536563093,7.030096889794688,7.030025173256207,7.0300065161099266,7.030001752706322,1.55,0.3441387934727974,0.08575270205289469,0.021895055145541735,0.005642771781740464,0.0014529468185550177,0.00037453656309252337,9.688979468766147e-05,2.517325620661873e-05,6.5161099262093586e-06,1.7527063216934783e-06,4.83,6.035861206527203,6.294247297947105,6.358104944854458,6.374357228218259,6.378547053181444,6.379625463436907,6.379903110205312,6.379974826743793,6.379993483890074,6.3799982472936785,second
+277,2.69,99,4.263715372603851e+17,4.5,1.5040773967762742,142.8,Ring,Acid,1,0.09128846263733048,0.06236159754635476,2.82,2.2667129396780727,1.9334823539169805,1.7201963034655843,1.5812103081425326,1.4865964521832913,1.422841490176094,1.3791395859140199,1.3483307252292738,1.3271730405760942,1.3125293134240834,4.42,3.8667129396780724,3.5334823539169804,3.320196303465584,3.1812103081425325,3.086596452183291,3.0228414901760936,2.97913958591402,2.948330725229274,2.9271730405760943,2.9125293134240837,3.84,4.393287060321927,4.7265176460830185,4.9398036965344145,5.078789691857467,5.173403547816708,5.237158509823906,5.280860414085979,5.3116692747707255,5.332826959423905,5.347470686575916,second
+273,10.25,96,3.9176398916568006e+17,3.52,1.2584609896100056,133.2,Branched,Acid,0,0.1675467658506034,0.11645396131761185,4.83,4.224110159619219,3.694228506603201,3.230145768387398,2.8237221214245904,2.4686676529225355,2.158997260066164,1.8890290280384148,1.6533842300202308,1.446987327190564,1.265559495126506,2.3,2.3,2.3,2.3,2.3,2.3,2.3,2.3,2.3,2.3,2.3,4.66,5.2658898403807815,5.795771493396799,6.259854231612603,6.66627787857541,7.021332347077465,7.331002739933837,7.600970971961585,7.836615769979769,8.043012672809436,8.224440504873494,first
+275,1.8,95,1.7797354052004352e+17,1.05,0.04879016416943205,108.1,Branched,Base,0,0.16032819299039033,0.11707840896926001,2.02,1.9570037710875507,1.909376278854415,1.8728130208302787,1.8446613199969806,1.822884813837761,1.8057329838279883,1.792159357064419,1.7814832804590996,1.7730685675424263,1.7663669367867965,0.28,0.21700377108755065,0.16937627885441495,0.13281302083027863,0.10466131999698049,0.08288481383776072,0.06573298382798809,0.052159357064418814,0.04148328045909947,0.033068567542426194,0.026366936786796368,4.49,4.552996228912449,4.600623721145585,4.637186979169721,4.665338680003019,4.68711518616224,4.704267016172012,4.717840642935581,4.728516719540901,4.736931432457574,4.7436330632132035,second
+274,2.36,96,5.496474649307174e+16,2.65,0.9745596399981308,139.0,Ring,Enzyme,1,0.027430612430409732,0.015675856690697355,5.51,5.40100850360477,5.2957115319648445,5.193983480241272,5.09570328436749,5.000754769148113,4.909025281457384,4.820405666488753,4.734790267754876,4.6520769270876166,4.572166984638044,3.81,3.81,3.81,3.81,3.81,3.81,3.81,3.81,3.81,3.81,3.81,0.8,0.9089914963952291,1.0142884680351554,1.1160165197587273,1.2142967156325097,1.3092452308518865,1.4009747185426153,1.4895943335112465,1.5752097322451235,1.657923072912383,1.737833015361955,first
+273,8.55,97,3.546854853213521e+16,3.71,1.3110318766193438,58.8,Unknown,Base,0,0.0097636536246364,0.007274781903285425,7.21,6.66731288520305,6.332781937508896,6.108137358439285,5.951350187853594,5.836855707447595,5.752497724498304,5.689056594449228,5.640450040082379,5.603214260870427,5.574445942248286,0.87,0.5986564426015251,0.4313909687544477,0.3190686792196421,0.2406750939267966,0.18342785372379702,0.14124886224915176,0.10952829722461409,0.08522502004118943,0.0666071304352136,0.05222297112414321,4.36,4.631343557398475,4.798609031245552,4.9109313207803575,4.989324906073203,5.046572146276203,5.088751137750848,5.120471702775386,5.14477497995881,5.1633928695647855,5.177777028875856,third
+274,12.64,95,2.7159137161819085e+17,3.7,1.308332819650179,180.0,Branched,Acid,0,0.21023813760664498,0.18073986498429048,4.15,0.9696799070086364,0.695684457895296,0.5704266719397247,0.49512619293571986,0.4435102164224485,0.40543455496782027,0.3753769378499677,0.3513125924192672,0.33153443522802645,0.31466103023695846,1.96,1.96,1.96,1.96,1.96,1.96,1.96,1.96,1.96,1.96,1.96,2.0,3.0601066976637874,3.151438514034901,3.1931911093534247,3.2182912690214267,3.2354965945258503,3.2481884816773934,3.258207687383344,3.266229135860244,3.272821854923991,3.278446323254347,third
+274,5.21,92,3.6866542419529146e+17,3.03,1.1085626195212777,85.5,Linear,Enzyme,0,1.0650272345213487,0.6293713417253947,4.83,0.5251156955925088,0.27741553626667026,0.18857151848852544,0.1429305995494963,0.11499054969622005,0.09624322025721067,0.08267041406595774,0.07255990533838634,0.0646017155477306,0.05819547552778365,2.78,2.78,2.78,2.78,2.78,2.78,2.78,2.78,2.78,2.78,2.78,1.35,3.5024421522037454,3.6262922318666644,3.670714240755737,3.6935347002252517,3.70750472515189,3.716878389871394,3.723664792967021,3.7287200473308064,3.7326991422261346,3.7359022622361078,second
+274,8.99,92,5.062499512550507e+16,4.71,1.5496879080283263,139.0,Branched,Acid,0,0.14624913273020207,0.10971893960195346,8.74,1.1852166199346992,0.8423040769599935,0.6885470949714374,0.5965100038985416,0.5339679691836995,0.4876401226347646,0.4513071202884391,0.42232679122279815,0.3984420520757574,0.37798423632525113,2.57,2.57,2.57,2.57,2.57,2.57,2.57,2.57,2.57,2.57,2.57,2.75,5.268261126688433,5.382565307680001,5.433817635009521,5.464496665367153,5.4853440102721,5.500786625788412,5.5128976265705205,5.522557736259068,5.530519315974748,5.5373385878915835,third
+277,6.0,91,2.7062512580634672e+17,1.11,0.10436001532424286,110.6,Ring,Base,0,1.869097471523527,1.1704442350580369,9.32,2.091212321984309,0.4698296596613628,0.10540195989163975,0.023694601198456566,0.005313160342000585,0.0011950027860283825,0.00026782505766399453,6.014086961815521e-05,1.3575265823029148e-05,3.12518670043549e-06,2.72,2.72,2.72,2.72,2.72,2.72,2.72,2.72,2.72,2.72,2.72,1.26,1.26,1.26,1.26,1.26,1.26,1.26,1.26,1.26,1.26,1.26,first
+280,11.94,98,3.287734525570184e+17,2.19,0.7839015438284094,97.9,Unknown,Enzyme,0,0.1714401124253908,0.124940301319921,5.5,3.463993462409405,2.607175857606099,2.139314160331578,1.8473877714403952,1.648455315516047,1.5058006633661394,1.3981831951978683,1.3157101669547582,1.2506643794394856,1.198040774589384,4.59,2.5539934624094047,1.6971758576060985,1.2293141603315778,0.9373877714403951,0.7384553155160469,0.5958006633661392,0.48818319519786807,0.40571016695475803,0.34066437943948535,0.288040774589384,4.38,6.416006537590595,7.272824142393901,7.740685839668421,8.032612228559604,8.231544684483952,8.374199336633858,8.48181680480213,8.564289833045239,8.629335620560513,8.681959225410612,second
+272,12.44,96,1.145801941721268e+17,3.08,1.1249295969854831,185.8,Branched,Enzyme,0,0.04194579321459924,0.03232225663420784,8.19,7.919731167412223,7.658381183548031,7.405655703919742,7.161269253793309,6.924947305920222,6.696424628038729,6.4754439974553195,6.261756201044719,6.055120035249891,5.855302306082036,0.99,0.99,0.99,0.99,0.99,0.99,0.99,0.99,0.99,0.99,0.99,2.86,2.86,2.86,2.86,2.86,2.86,2.86,2.86,2.86,2.86,2.86,first
+273,13.81,92,3.608970637846187e+16,1.63,0.4885800148186709,60.8,Unknown,Enzyme,0,0.0899218508185394,0.06959512402045699,9.57,4.033196796419114,2.554914843764112,1.870841293534614,1.473847182848984,1.2179088557210616,1.0359250389093646,0.9025383796665709,0.7993912381599113,0.7169365116222203,0.6499153628698241,2.59,2.59,2.59,2.59,2.59,2.59,2.59,2.59,2.59,2.59,2.59,1.42,4.188401601790442,4.927542578117944,5.269579353232693,5.468076408575508,5.596045572139468,5.687037480545317,5.753730810166714,5.8053043809200435,5.846531744188889,5.880042318565088,second
+274,13.34,90,4.941303395971399e+17,1.22,0.19885085874516517,86.6,Ring,Acid,0,3.434459033517542,2.1236610574853447,6.05,0.38834018933606923,0.024944773367440262,0.0016016769599133164,0.00010312269723680842,6.747896725286241e-06,3.181184359199655e-07,-1.7032010774333872e-07,-7.915187273035683e-07,1.4610167398888907e-06,2.700223512463886e-07,2.98,2.98,2.98,2.98,2.98,2.98,2.98,2.98,2.98,2.98,2.98,0.47,6.131659810663931,6.495055226632559,6.518398323040087,6.519896877302763,6.5199932521032755,6.519999681881565,6.520000170320108,6.5200007915187275,6.51999853898326,6.519999729977649,first
+271,10.49,98,9.07720777124607e+16,0.92,-0.08338160893905101,152.5,Ring,None,0,0.011694741817004277,0.009259873011525217,9.58,9.342502272318482,9.241593600010226,9.196877865799749,9.176768651375356,9.167646097129932,9.163488313061086,9.161589905008734,9.160725152157962,9.160331860142941,9.160151579507987,0.21,0.0912511361592408,0.040796800005113404,0.01843893289987486,0.008384325687677541,0.0038230485649659463,0.0017441565305424274,0.0007949525043659921,0.00036257607897975663,0.00016593007146914815,7.578975399283528e-05,0.62,0.7387488638407591,0.7892031999948866,0.8115610671001252,0.8216156743123225,0.8261769514350341,0.8282558434694577,0.8292050474956341,0.8296374239210204,0.829834069928531,0.8299242102460073,third
+271,9.5,91,2.078298263747843e+17,1.39,0.3293037471426003,28.7,Ring,None,0,0.5984518461391246,0.40154697617254886,7.43,6.9512385230887,6.4724770461774,5.993715569266101,5.514954092354801,5.036192615443501,4.557431138532201,4.078669661620901,3.5999081847096,3.1211467077983004,2.642385230886999,4.82,4.82,4.82,4.82,4.82,4.82,4.82,4.82,4.82,4.82,4.82,3.77,4.2487614769113,4.7275229538226,5.206284430733899,5.685045907645199,6.163807384556499,6.642568861467799,7.121330338379099,7.6000918152904,8.0788532922017,8.557614769113002,zero
+277,6.96,94,4.5704311814938554e+17,3.37,1.2149127443642704,85.1,Linear,Base,1,0.8579904492154544,0.4963584411466823,2.71,2.943301365062127,2.9429136630954837,2.9435454665954985,2.9431932395298195,2.943082769567867,2.943554013714445,2.94276688399752,2.9437015561003816,2.9430264410261775,2.9432121933093067,0.15,0.2666506825310635,0.26645683154774175,0.2667727332977489,0.26659661976490917,0.2665413847839332,0.26677700685722205,0.2663834419987594,0.2668507780501902,0.2665132205130884,0.26660609665465285,4.11,3.993349317468937,3.993543168452259,3.9932272667022524,3.9934033802350917,3.993458615216068,3.993222993142779,3.9936165580012415,3.9931492219498113,3.9934867794869127,3.993393903345348,third
+278,13.51,95,4.965474705052943e+17,3.22,1.169381359556317,193.1,Ring,None,1,0.7004049007509473,0.5126865254338918,5.12,3.2168487607518848,3.1258849955037507,3.1196559688163066,3.119177252479544,3.118684850653914,3.1204854142712217,3.119561672853855,3.1191393749980487,3.118720378318963,3.1197645136711576,2.97,1.0668487607518848,0.9758849955037507,0.9696559688163062,0.9691772524795434,0.9686848506539139,0.9704854142712216,0.9695616728538544,0.9691393749980483,0.9687203783189624,0.969764513671157,2.13,4.033151239248115,4.124115004496248,4.130344031183692,4.1308227475204555,4.131315149346085,4.129514585728777,4.130438327146144,4.13086062500195,4.131279621681036,4.13023548632884,second
+272,12.68,99,1.111890857311719e+17,1.66,0.5068176023684519,152.5,Branched,None,1,0.01080196724755467,0.009011715096729635,4.58,4.309767251506751,4.078676738475035,3.8792517859358737,3.705456722407321,3.553935794707325,3.421743912423141,3.3060709052836565,3.204241523159392,3.1137154360625,3.0320872341467657,4.86,4.86,4.86,4.86,4.86,4.86,4.86,4.86,4.86,4.86,4.86,4.84,4.975116374246625,5.090661630762483,5.1903741070320635,5.27727163879634,5.353032102646338,5.41912804378843,5.476964547358172,5.527879238420304,5.57314228196875,5.6139563829266175,second
+270,5.3,91,3.245671362848828e+17,4.84,1.5769147207285403,174.9,Linear,Acid,0,0.8047489216304822,0.49674597293525385,9.9,0.5090152938740365,0.36043121932984934,0.2941999915140458,0.2548332825868537,0.22792269330483514,0.20818999765661494,0.19262828291368853,0.18017822198139424,0.1699666211099574,0.16127958659232774,2.44,2.44,2.44,2.44,2.44,2.44,2.44,2.44,2.44,2.44,2.44,1.38,4.510328235375321,4.559856260223384,4.581933336161985,4.595055572471049,4.6040257688983885,4.610603334114462,4.615790572362104,4.619940592672869,4.623344459630014,4.626240137802558,third
+270,9.98,98,1.574014462923933e+17,3.47,1.244154593958768,99.7,Ring,Enzyme,0,0.01726172763648499,0.011235509847192371,8.1,7.988912793045259,7.87934908836899,7.771287986888417,7.664708874308226,7.5595914421703645,7.455915651270497,7.353661728953408,7.252810169113001,7.1533417321923025,7.055237445183456,2.35,2.35,2.35,2.35,2.35,2.35,2.35,2.35,2.35,2.35,2.35,1.27,1.3810872069547409,1.4906509116310096,1.5987120131115817,1.7052911256917738,1.8104085578296347,1.914084348729502,2.016338271046591,2.117189830886998,2.216658267807697,2.3147625548165425,first
+271,7.43,93,3.756031512261304e+17,2.61,0.959350221334602,136.8,Unknown,Base,0,0.4451856350053747,0.29949405120144845,1.05,0.7353632330048838,0.5149774688323142,0.36035960299492314,0.25274277276256224,0.17704999938799326,0.12394476752944024,0.08695696329181857,0.060862243379374514,0.04263474727352727,0.029906877873476442,1.32,1.32,1.32,1.32,1.32,1.32,1.32,1.32,1.32,1.32,1.32,1.19,1.5046367669951162,1.725022531167686,1.8796403970050768,1.9872572272374378,2.0629500006120067,2.1160552324705595,2.153043036708181,2.179137756620625,2.1973652527264727,2.2100931221265236,first
+271,6.4,91,9.783724839285931e+16,1.88,0.6312717768418578,105.5,Branched,None,0,0.2817251158950237,0.19402982347567121,2.71,0.8212746028572449,0.5947028431660445,0.48941308299194836,0.425400503901508,0.38156468752170936,0.34894989810380417,0.3232597246485238,0.3027061042873259,0.2857522769774571,0.2712211989737371,0.28,0.28,0.28,0.28,0.28,0.28,0.28,0.28,0.28,0.28,0.28,4.03,4.65957513238092,4.735099052277986,4.770195639002685,4.7915331653661655,4.806145104159431,4.817016700632067,4.825580091783827,4.832431298570893,4.838082574340849,4.842926267008756,third
+274,8.47,90,1.4902045593959923e+17,1.62,0.4824261492442928,98.3,Branched,Base,1,1.0357685211111085,0.5675896363523313,5.98,2.2431680902731235,2.242635758142158,2.242875744001656,2.2431252055831457,2.2424756425481687,2.242896881908458,2.2421280609784806,2.2415829946485917,2.242145879525065,2.2425058330214376,2.2,0.33158404513656137,0.33131787907107874,0.3314378720008276,0.33156260279157274,0.3312378212740843,0.3314484409542288,0.33106403048924027,0.3307914973242957,0.3310729397625325,0.331252916510719,1.17,3.0384159548634395,3.038682120928922,3.038562127999173,3.0384373972084275,3.0387621787259165,3.038551559045772,3.03893596951076,3.039208502675705,3.0389270602374676,3.038747083489281,third
+279,11.93,92,8.589550506382256e+16,2.32,0.8415671856782185,179.1,Unknown,Enzyme,0,0.5117084729251721,0.37866059749274744,9.19,6.102674134995105,4.05116296310113,2.690146521248436,1.7883458399043906,1.1866746827630454,0.7894199405079823,0.5237815987622523,0.34819936575824245,0.23141191684195334,0.15368995377683842,4.67,4.67,4.67,4.67,4.67,4.67,4.67,4.67,4.67,4.67,4.67,4.22,7.307325865004895,9.35883703689887,10.719853478751563,11.62165416009561,12.223325317236954,12.620580059492017,12.886218401237747,13.061800634241758,13.178588083158045,13.256310046223161,first
+274,12.7,97,2.6459485080312864e+17,4.96,1.601405740736836,89.9,Branched,Enzyme,1,0.08513113143972484,0.07378509620554842,8.11,7.59567215511002,7.333977293074998,7.192583434613883,7.1152380774196216,7.072964607321424,7.049166394946073,7.036106770792443,7.0288330724870915,7.0246491991172695,7.022416848494644,1.75,1.2356721551100205,0.9739772930749985,0.8325834346138831,0.7552380774196212,0.7129646073214239,0.6891663949460723,0.676106770792443,0.6688330724870916,0.6646491991172695,0.6624168484946439,4.25,4.764327844889979,5.026022706925001,5.167416565386117,5.244761922580378,5.287035392678575,5.310833605053927,5.323893229207556,5.331166927512908,5.33535080088273,5.337583151505355,second
+274,3.84,97,1.567010816184414e+17,3.28,1.1878434223960523,135.6,Unknown,Enzyme,1,0.05041723350063337,0.042541046405215166,4.13,4.078129449703638,4.036370199773437,4.002544817200178,3.975089953722058,3.952940297945565,3.935086371517871,3.9205677784546134,3.9085618723177036,3.8987370853043135,3.890711875915175,0.5,0.4481294497036387,0.40637019977343625,0.37254481720017807,0.34508995372205736,0.3229402979455648,0.305086371517871,0.29056777845461296,0.2785618723177034,0.2687370853043131,0.2607118759151748,0.75,0.8018705502963613,0.8436298002265638,0.8774551827998219,0.9049100462779427,0.9270597020544353,0.944913628482129,0.9594322215453871,0.9714381276822966,0.9812629146956869,0.9892881240848252,second
+277,11.11,91,4.430678842675828e+17,2.03,0.7080357930536959,188.2,Linear,Base,0,3.060089338454161,1.9288834809521513,5.48,0.26118807304191743,0.1847125391822931,0.15086709949841542,0.13074458621236412,0.11688051223625123,0.10670579660525693,0.09885567292627076,0.09244348920319026,0.08713867364544253,0.08265312159441118,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,4.25,5.989603975652694,6.015095820272569,6.026377633500529,6.033085137929212,6.037706495921249,6.041098067798247,6.043714775691242,6.0458521702656025,6.047620442118186,6.049115626135196,third
+275,1.92,91,4.447549799457518e+17,3.8,1.33500106673234,174.9,Linear,Base,1,2.304513730660586,1.4909833350683672,8.38,3.697094626046612,3.6975110295772593,3.6981023893494918,3.6986170767025053,3.6983151454918386,3.697493851313953,3.697430877728551,3.6973980206221517,3.6981415595399776,3.6982917726919884,2.61,0.2685473130233058,0.2687555147886292,0.26905119467474575,0.26930853835125224,0.269157572745919,0.2687469256569761,0.2687154388642747,0.26869901031107496,0.26907077976998767,0.269145886345993,3.34,5.6814526869766935,5.681244485211371,5.680948805325254,5.680691461648747,5.680842427254083,5.681253074343025,5.681284561135725,5.681300989688925,5.680929220230012,5.680854113654005,third
+280,3.35,100,1.8110980359815853e+17,0.74,-0.3011050927839216,66.5,Branched,Acid,0,0.03999812314622531,0.024287827205092805,9.6,5.946235050351823,4.308038623259653,3.3804604974365478,2.778485074477702,2.3620704126767684,2.0515214050865898,1.8137443535318138,1.6269475373372537,1.4740221577581873,1.3469605198472439,0.84,0.84,0.84,0.84,0.84,0.84,0.84,0.84,0.84,0.84,0.84,0.01,1.8368824748240884,2.6559806883701738,3.1197697512817264,3.420757462761149,3.628964793661616,3.784239297456705,3.903127823234093,3.996526231331373,4.072988921120907,4.136519740076379,second
+274,4.72,99,2.713627654592132e+17,4.99,1.6074359097634274,113.4,Ring,Base,1,0.03628847841992662,0.02581621818032537,6.81,2.893084652062045,2.0931419626370973,1.7352239018419255,1.5388209938787936,1.4200384554596255,1.3437142390475447,1.292987042154223,1.2594623356042205,1.2359549070801072,1.2196611336572085,4.91,2.9515423260310234,2.55157098131855,2.3726119509209638,2.274410496939398,2.215019227729814,2.1768571195237736,2.151493521077113,2.1347311678021117,2.122977453540055,2.114830566828606,1.3,3.2584576739689775,3.658429018681451,3.837388049079037,3.9355895030606027,3.994980772270187,4.033142880476227,4.0585064789228875,4.07526883219789,4.087022546459946,4.095169433171396,third
+270,8.28,98,1.817593284636966e+17,2.84,1.0438040521731147,122.6,Branched,Base,1,0.019932980904778182,0.012979065648674102,4.89,3.423435872687763,2.7596964376509203,2.366992978765097,2.1054309549983583,1.915879540023159,1.7743146534612217,1.6633968104645742,1.5744717066778684,1.5023970342008948,1.442950269261168,3.22,2.486717936343882,2.1548482188254607,1.958496489382549,1.8277154774991795,1.7329397700115798,1.6621573267306113,1.6066984052322875,1.5622358533389344,1.5261985171004477,1.4964751346305845,0.45,1.1832820636561183,1.5151517811745396,1.7115035106174512,1.8422845225008209,1.9370602299884205,2.0078426732693893,2.063301594767713,2.107764146661066,2.1438014828995526,2.173524865369416,third
+274,2.66,93,4.4379077593761376e+17,2.02,0.7030975114131134,68.1,Ring,Base,0,0.8265370364081914,0.5261112532495238,1.8,0.9284690646249371,0.4797827960284775,0.24807045930380223,0.1279745634888304,0.06612806671417924,0.03419700537949772,0.017642676744733604,0.009114419917433463,0.004714073301955345,0.002433666942586449,3.37,3.37,3.37,3.37,3.37,3.37,3.37,3.37,3.37,3.37,3.37,4.43,4.43,4.43,4.43,4.43,4.43,4.43,4.43,4.43,4.43,4.43,first
+277,1.11,93,1.3530553009955904e+17,2.19,0.7839015438284094,73.5,Unknown,Acid,1,0.39212121973225905,0.2528300248180241,5.68,5.371420527130288,5.334435914764518,5.329689151287651,5.329165131260386,5.329005869560439,5.328499744405926,5.329377355915155,5.328746443161412,5.3294945796648205,5.329069384699321,0.99,0.6814205271302884,0.6444359147645189,0.6396891512876518,0.639165131260387,0.6390058695604394,0.6384997444059266,0.6393773559151559,0.638746443161413,0.6394945796648218,0.6390693846993222,4.93,5.238579472869711,5.275564085235481,5.2803108487123485,5.280834868739613,5.28099413043956,5.281500255594073,5.280622644084844,5.281253556838587,5.280505420335179,5.2809306153006785,second
+274,8.83,95,4.3583220470099814e+17,2.19,0.7839015438284094,41.2,Unknown,Acid,0,0.33737651707930305,0.22802940195134658,4.77,0.7776075665581255,0.5530430540082893,0.4527618474627606,0.3923587344675763,0.3513315014825157,0.3206501006110958,0.29707418714608974,0.2780701095175766,0.26214146688386514,0.24867049292298748,2.79,2.79,2.79,2.79,2.79,2.79,2.79,2.79,2.79,2.79,2.79,0.69,2.020797477813958,2.09565231533057,2.1290793841790796,2.1492137551774744,2.1628894995058277,2.1731166331296343,2.1809752709513033,2.187309963494141,2.192619511038711,2.197109835692337,third
+278,8.31,93,1.301563034081006e+17,4.7,1.547562508716013,95.0,Linear,None,1,0.436170166830575,0.2199076389867922,2.04,0.8974962995697724,0.8896391183235547,0.8900421398567806,0.8903373859113005,0.8891766798677468,0.8896653720088349,0.8899441360780949,0.8887182554483344,0.8896343172614578,0.8901997997083813,3.77,3.198748149784886,3.194819559161777,3.1950210699283903,3.1951686929556504,3.1945883399338735,3.1948326860044176,3.1949720680390477,3.1943591277241676,3.1948171586307295,3.195099899854191,4.44,5.011251850215114,5.015180440838223,5.01497893007161,5.01483130704435,5.0154116600661265,5.015167313995583,5.015027931960954,5.015640872275833,5.015182841369272,5.014900100145811,third
+278,5.27,100,1.5587382014053792e+17,3.06,1.1184149159642893,121.2,Unknown,Enzyme,1,0.025272936603376758,0.02223260043908052,2.09,2.0810094516406314,2.072888578267087,2.065551202121563,2.058919420021818,2.0529224274842126,2.04749906132896,2.0425949287471035,2.0381597050018643,2.0341471334286374,2.0305150254349957,2.08,2.0710094516406317,2.062888578267087,2.0555512021215634,2.0489194200218184,2.042922427484213,2.03749906132896,2.0325949287471037,2.0281597050018645,2.0241471334286376,2.020515025434996,4.41,4.4189905483593686,4.427111421732913,4.434448797878437,4.441080579978181,4.447077572515787,4.45250093867104,4.4574050712528965,4.461840294998136,4.465852866571362,4.469484974565004,second
+280,9.84,91,1.2605845339237837e+17,2.26,0.8153648132841944,45.0,Ring,None,0,1.329538259128013,0.8629739617994723,5.83,3.4196916225358494,3.3810803479421394,3.380029911159061,3.380000998242063,3.379999943159867,3.379999870000803,3.3800003747758263,3.3799999119558524,3.3799994453623796,3.3800003219475525,2.45,0.03969162253584931,0.0010803479421399608,2.9911159061673506e-05,9.982420637262734e-07,-5.684013234253666e-08,-1.2999919596010122e-07,3.7477582729696824e-07,-8.804414667475078e-08,-5.546376194320079e-07,3.2194755372251483e-07,1.12,3.530308377464151,3.5689196520578608,3.569970088840939,3.569999001757937,3.5700000568401333,3.570000129999197,3.569999625224174,3.570000088044148,3.5700005546376206,3.5699996780524477,second
+276,5.13,100,2.54449593168237e+16,4.06,1.4011829736136412,93.4,Unknown,Enzyme,0,0.0030152548039819923,0.002063415859021733,1.47,1.4475382326839321,1.4260756658516325,1.405540301683641,1.3858670283289756,1.3669971441710844,1.3488780990696783,1.3314613647982034,1.3147023157714657,1.2985602290456297,1.28299828431822,0.54,0.54,0.54,0.54,0.54,0.54,0.54,0.54,0.54,0.54,0.54,2.06,2.067487255772023,2.0746414447161228,2.081486566105453,2.0880443238903417,2.094334285276305,2.100373966976774,2.1061795450672656,2.111765894742845,2.1171465903181237,2.12233390522726,third
+271,5.83,98,4.156557829411636e+17,3.99,1.3837912309017721,71.0,Unknown,Acid,0,0.053551567714907426,0.03728414645263549,4.1,1.7801869616838195,1.3231117336994387,1.0989886489493665,0.9605959269503896,0.8637260852463453,0.7919709725560009,0.7348532500764012,0.688631560029802,0.6503856560198561,0.6178295423378378,2.84,2.84,2.84,2.84,2.84,2.84,2.84,2.84,2.84,2.84,2.84,0.74,1.51327101277206,1.665629422100187,1.7403371170168778,1.78646802434987,1.8187579715845514,1.8426763424813328,1.861715583307866,1.8771228133233993,1.8898714479933811,1.9007234858873872,third
+273,5.92,98,4.217571482972486e+17,1.9,0.6418538861723947,160.3,Unknown,Acid,1,0.07472893820746641,0.041878435688233275,7.3,1.8967884785717686,1.6429597760406374,1.588415105402746,1.5750288685982887,1.5719344182772208,1.570458850754779,1.570747501358192,1.5698534268437494,1.5706580076243137,1.5707089096250808,3.39,3.39,3.39,3.39,3.39,3.39,3.39,3.39,3.39,3.39,3.39,5.0,6.801070507142743,6.88568007465312,6.903861631532417,6.9083237104672355,6.909355193907592,6.9098470497484055,6.909750832880601,6.910048857718749,6.909780664125227,6.9097636967916385,third
+276,12.27,90,1.8242503714862912e+17,1.7,0.5306282510621704,98.3,Ring,Enzyme,0,1.6882411232154249,1.4856365265391374,7.58,1.9664234138192929,0.5096514308908051,0.13242435096296923,0.034320388581825186,0.008904989126243944,0.0023127670494994213,0.0005991418503216673,0.00015548745361217722,4.04648616790513e-05,1.0581057492958435e-05,3.26,3.26,3.26,3.26,3.26,3.26,3.26,3.26,3.26,3.26,3.26,3.01,3.01,3.01,3.01,3.01,3.01,3.01,3.01,3.01,3.01,3.01,first
+274,4.08,100,4.865418946012836e+16,2.44,0.8919980393051105,30.3,Unknown,Base,0,0.004194637995978902,0.002638176382664957,4.69,4.686644289603217,4.683288579206434,4.679932868809651,4.676577158412868,4.6732214480160845,4.669865737619302,4.666510027222519,4.663154316825736,4.659798606428953,4.6564428960321695,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,4.32,4.3233557103967835,4.326711420793567,4.33006713119035,4.333422841587133,4.336778551983916,4.340134262380698,4.343489972777482,4.346845683174265,4.350201393571048,4.353557103967831,zero
+279,8.9,100,6.453299446954173e+16,3.7,1.308332819650179,43.4,Ring,Base,1,0.012218346519880971,0.007813582418514889,8.57,5.290160618992752,4.1450982571780015,3.533231165944741,3.1425117314815516,2.87290707542621,2.673124161484049,2.5225918869486583,2.405157593901475,2.310425491211097,2.233765987690992,4.82,3.1800803094963763,2.607549128589001,2.301615582972371,2.106255865740776,1.971453537713105,1.8715620807420246,1.7962959434743293,1.7375787969507377,1.6902127456055487,1.6518829938454962,4.19,5.829919690503624,6.402450871411,6.708384417027631,6.903744134259226,7.038546462286897,7.138437919257977,7.213704056525672,7.272421203049264,7.319787254394453,7.358117006154505,third
+280,11.03,93,7.2055241384400296e+16,2.43,0.8878912573524571,140.4,Linear,Base,0,0.32186695781034996,0.2813595968322035,7.3,5.642739266398692,4.361803418158157,3.3689174027294086,2.6029956287090137,2.0147591471561563,1.5593119393866783,1.204481492049087,0.9308839665513537,0.7204648434048764,0.5572678314212498,1.76,1.76,1.76,1.76,1.76,1.76,1.76,1.76,1.76,1.76,1.76,1.09,1.09,1.09,1.09,1.09,1.09,1.09,1.09,1.09,1.09,1.09,first
+272,12.77,99,1.8312608661561002e+17,2.45,0.8960880245566357,40.2,Ring,None,0,0.017790612961575167,0.009432156442120932,6.25,3.0076163110104543,2.2609586749253174,1.888390170501366,1.653382401364888,1.4902625939771985,1.3659081379033953,1.268993908288604,1.1908002442071175,1.1248363798167955,1.068588589963991,2.26,2.26,2.26,2.26,2.26,2.26,2.26,2.26,2.26,2.26,2.26,4.81,5.890794562996514,6.13968044169156,6.263869943166211,6.342205866211703,6.396579135340933,6.438030620698867,6.470335363903797,6.496399918597627,6.5183878733944,6.537137136678668,third
+276,2.65,96,3.883742874984039e+17,3.63,1.2892326482767593,64.5,Ring,None,1,0.2630412359391749,0.18190569140464263,9.03,2.0932420595312173,2.0227130783641916,2.01960335302939,2.0193570689068645,2.0169637888713177,2.019761231658669,2.0194700906058833,2.019041110209463,2.0198831879143886,2.0202105118205362,4.68,1.2116210297656087,1.1763565391820958,1.1748016765146951,1.1746785344534323,1.1734818944356589,1.1748806158293346,1.1747350453029417,1.1745205551047315,1.1749415939571943,1.1751052559102682,3.42,6.888378970234391,6.923643460817904,6.925198323485305,6.925321465546568,6.926518105564342,6.925119384170666,6.925264954697059,6.925479444895269,6.925058406042806,6.924894744089733,third
+279,10.38,93,9.445496997754206e+16,1.23,0.20701416938432612,63.1,Unknown,Acid,0,0.36563628775579093,0.25898345071550993,4.61,1.2509055300467664,0.7235380157876803,0.509139765129654,0.39242157990131993,0.31942813738110676,0.26920865890277207,0.23290510275516052,0.20494814249339943,0.18304798115052,0.16538850846945397,1.85,1.85,1.85,1.85,1.85,1.85,1.85,1.85,1.85,1.85,1.85,2.87,4.549547234976617,4.81323099210616,4.920430117435173,4.9787892100493405,5.015285931309447,5.040395670548614,5.05854744862242,5.072525928753301,5.08347600942474,5.092305745765273,second
+279,9.57,97,2.5588838769252195e+17,0.96,-0.040821994520255166,26.7,Ring,None,0,0.17658925703464792,0.13645310614795012,3.37,1.0357205272315264,0.7506179293056071,0.6177804292592106,0.5371372622568519,0.4817427263305176,0.4406695076196927,0.40822620112592256,0.3822347595198341,0.36083373296085425,0.34253469534119124,3.33,3.33,3.33,3.33,3.33,3.33,3.33,3.33,3.33,3.33,3.33,3.19,3.968093157589491,4.06312735689813,4.107406523580264,4.134287579247717,4.152752424556494,4.1664434974601035,4.177257932958026,4.185921746826723,4.193055422346383,4.199155101552938,third
+273,13.42,97,3.846243978147939e+17,4.57,1.5195132049061133,141.1,Branched,Base,1,0.10587801168253598,0.0952660971903447,8.85,8.427203572329189,8.067258275884294,7.760216655397716,7.497970694244089,7.27510097556184,7.086403875147095,6.926833462585424,6.791501501251844,6.675677448310812,6.576076763760397,4.81,4.81,4.81,4.81,4.81,4.81,4.81,4.81,4.81,4.81,4.81,3.83,4.25279642767081,4.612741724115705,4.9197833446022825,5.1820293057559095,5.4048990244381585,5.593596124852904,5.753166537414574,5.888498498748155,6.004322551689187,6.103923236239602,first
+270,6.48,99,4.323892944493983e+17,0.58,-0.5447271754416722,178.8,Unknown,Base,1,0.030372592054598465,0.017752279420609276,8.53,8.134830954292646,7.83058235530549,7.5920591797099375,7.404028986180125,7.255103851191624,7.1352307893062346,7.037212961099449,6.9575961274565294,6.892792875424537,6.839735113323669,2.4,2.004830954292646,1.7005823553054906,1.4620591797099387,1.2740289861801262,1.1251038511916245,1.0052307893062356,0.9072129610994502,0.8275961274565299,0.7627928754245381,0.7097351133236696,3.23,3.625169045707354,3.9294176446945093,4.167940820290061,4.3559710138198735,4.504896148808375,4.624769210693764,4.72278703890055,4.8024038725434695,4.867207124575462,4.92026488667633,second
+280,12.88,92,4.5519694246197286e+17,1.57,0.45107561936021673,75.0,Unknown,None,1,3.124418333752601,2.604065756152147,7.88,1.322875868636198,1.3258982901045016,1.3235613196367388,1.3250388935720703,1.3236433453567888,1.3241654060282548,1.3247205610711206,1.3236745395935268,1.3252588737060902,1.3244018922599827,0.22,0.22,0.22,0.22,0.22,0.22,0.22,0.22,0.22,0.22,0.22,0.6,2.7857080437879334,2.7847005699651657,2.7854795601210864,2.784987035475976,2.785452218214402,2.78527819799058,2.7850931463096247,2.7854418201354894,2.7849137087646345,2.7851993692466697,third
+271,3.06,100,3.825832445674255e+17,3.52,1.2584609896100056,132.1,Linear,Enzyme,1,0.020288731133234324,0.014319911246764077,3.59,2.708258555028787,2.268548044535516,1.9989385006547737,1.820779980909466,1.6988830895931575,1.6114429089159292,1.5462768964187488,1.498236773001618,1.4623386176131423,1.4343979588407543,3.43,2.989129277514394,2.769274022267758,2.634469250327387,2.545389990454733,2.484441544796579,2.440721454457965,2.4081384482093746,2.384118386500809,2.366169308806571,2.3521989794203773,4.71,5.150870722485607,5.370725977732243,5.505530749672614,5.594610009545268,5.655558455203422,5.699278545542036,5.731861551790626,5.7558816134991915,5.773830691193429,5.787801020579623,third
+276,2.07,95,1.639351025821951e+17,2.21,0.7929925155296614,154.0,Linear,Enzyme,1,0.17167541311799975,0.09499432504057342,3.63,2.4420914375417992,1.9213380891979088,1.6540888267732277,1.5068850966137024,1.4208622169622458,1.370491300358155,1.3394604776451324,1.3212013384213268,1.3098588489996768,1.3028074811428096,4.03,2.8420914375417996,2.321338089197909,2.0540888267732282,1.9068850966137028,1.8208622169622461,1.7704913003581553,1.7394604776451328,1.7212013384213272,1.709858848999677,1.70280748114281,1.61,2.7979085624582005,3.318661910802091,3.585911173226772,3.7331149033862974,3.819137783037754,3.8695086996418446,3.900539522354867,3.918798661578673,3.930141151000323,3.93719251885719,second
+273,9.27,93,1.9171620010637216e+17,2.5,0.9162907318741551,102.1,Ring,Acid,1,0.30746671853387497,0.1812719288181104,6.56,1.1252042149175194,1.0742876563644825,1.070658938725094,1.0704595300026682,1.0707293512180767,1.069647544399682,1.0696430457819004,1.072065972165016,1.071472922894218,1.0706549979102225,1.4,1.4,1.4,1.4,1.4,1.4,1.4,1.4,1.4,1.4,1.4,0.25,2.0615985950274935,2.0785707812118392,2.0797803537583017,2.079846823332444,2.0797568829273074,2.080117485200106,2.080118984739366,2.079311342611661,2.079509025701927,2.079781667363259,third
+276,7.2,100,6.960861744481877e+16,2.49,0.9122827104766164,117.0,Ring,None,0,0.008248695371670762,0.005343278310376069,4.45,3.33822383223711,2.7839378630670235,2.436136959748783,2.191772298402128,2.011066572829474,1.867499291629117,1.7501965937143635,1.6532539695326636,1.57138824056586,1.5002736907503404,4.3,4.3,4.3,4.3,4.3,4.3,4.3,4.3,4.3,4.3,4.3,1.01,1.3805920559209635,1.5653540456443256,1.681287680083739,1.762742567199291,1.8229778090568423,1.870833569456961,1.9099344687618791,1.9422486768224458,1.9695372531447137,1.9932421030832201,third
+278,9.29,90,3.450697315773391e+17,3.85,1.3480731482996928,81.7,Ring,Acid,0,4.234490295671926,2.150643021879186,6.7,0.22208871907704408,0.15719948906940429,0.12830974247245758,0.11109818503057438,0.09939392429526657,0.0907592472417786,0.08397626696197462,0.07856464314438143,0.07411441726356012,0.07030856235908942,3.35,3.35,3.35,3.35,3.35,3.35,3.35,3.35,3.35,3.35,3.35,4.79,6.949303760307653,6.970933503643533,6.980563419175848,6.986300604989809,6.990202025234912,6.993080250919408,6.99534124434601,6.997145118951874,6.9986285275788145,6.999897145880304,third
+280,3.81,93,3.6115062954191245e+17,1.65,0.5007752879124892,25.0,Unknown,None,1,1.6132407887140066,1.2254445644556027,9.74,1.3376465727087248,1.3352316287615218,1.3379143004087013,1.3353861008385468,1.3378357943640427,1.3353959429000106,1.3378337799933866,1.3352642948139368,1.3379755333127787,1.3366170280521656,4.99,4.99,4.99,4.99,4.99,4.99,4.99,4.99,4.99,4.99,4.99,0.34,3.1407844757637586,3.1415894570794927,3.1406952331971,3.1415379663871517,3.140721401878653,3.1415346856999964,3.140722073335538,3.1415785683953543,3.1406748222290735,3.1411276573159443,third
+272,13.58,95,2.5050282600562813e+17,3.05,1.1151415906193203,51.3,Unknown,Enzyme,1,0.14270445814211344,0.11648478689913955,1.7,1.910184876095112,2.080997631214278,2.2202253136399936,2.3336937524171124,2.4254050585733244,2.499228045384469,2.558919987367677,2.608008968571827,2.6481506609803414,2.680770239700541,4.33,4.33,4.33,4.33,4.33,4.33,4.33,4.33,4.33,4.33,4.33,4.58,4.369815123904888,4.199002368785722,4.059774686360007,3.946306247582888,3.854594941426676,3.780771954615531,3.7210800126323234,3.671991031428173,3.631849339019659,3.599229760299459,first
+274,2.65,91,3.098268652754663e+17,1.65,0.5007752879124892,153.7,Unknown,Base,1,1.3883265705436294,0.7800675426236162,8.59,1.2492403104778513,1.2499927669161226,1.2510259572415319,1.2516993763115947,1.2510828844485682,1.250069227867233,1.2493336501902426,1.2491305190783746,1.2494913260585425,1.2508157799283899,4.6,4.6,4.6,4.6,4.6,4.6,4.6,4.6,4.6,4.6,4.6,1.03,3.476919896507383,3.476669077694626,3.4763246809194897,3.476100207896135,3.476305705183811,3.476643590710922,3.476888783269919,3.4769564936405413,3.4768362246471516,3.4763947400238693,third
+275,2.59,97,1.8830420911771462e+17,0.74,-0.3011050927839216,189.6,Branched,Base,0,0.07073143579272981,0.03860626794547211,9.71,4.639130909895384,3.044410229843815,2.266339647982097,1.8066303600301072,1.4995253898203553,1.2833863701572232,1.1213643022872692,0.994928926295746,0.8946764214221931,0.8128034472182196,4.66,4.66,4.66,4.66,4.66,4.66,4.66,4.66,4.66,4.66,4.66,4.08,6.615434545052309,7.412794885078093,7.801830176008952,8.031684819984948,8.185237305089823,8.293306814921388,8.374317848856366,8.437535536852128,8.487661789288904,8.52859827639089,second
+278,7.83,95,4.870657788480983e+17,4.42,1.4861396960896067,108.3,Linear,Acid,1,0.6870305031382651,0.5844760107244642,5.09,3.836655653226842,3.3831809547045038,3.218654683109084,3.1591717786406974,3.1384635065490327,3.1299654087391318,3.1277876183373516,3.126059577262889,3.1263762321764976,3.1261108169063476,2.34,2.34,2.34,2.34,2.34,2.34,2.34,2.34,2.34,2.34,2.34,1.71,2.9633443467731584,3.4168190452954965,3.581345316890917,3.6408282213593033,3.661536493450968,3.670034591260869,3.672212381662649,3.6739404227371115,3.673623767823503,3.673889183093653,first
+273,5.56,98,9.802461069604994e+16,1.41,0.34358970439007686,96.5,Unknown,Acid,0,0.01736846691298594,0.012502067271078547,9.06,7.2373655522484235,6.027136720586113,5.160971031788915,4.519048174276808,4.016855892902679,3.6124350566291366,3.2840501952971706,3.0121359159971792,2.780571689533471,2.5811261589848393,0.95,0.95,0.95,0.95,0.95,0.95,0.95,0.95,0.95,0.95,0.95,4.28,5.191317223875789,5.7964316397069435,6.229514484105543,6.550475912861597,6.801572053548661,7.003782471685431,7.167974902351415,7.30393204200141,7.419714155233264,7.51943692050758,second
+270,12.3,97,2.8243567430363232e+17,2.73,1.0043016091968684,115.0,Ring,Enzyme,0,0.04835748541810479,0.0319710689244749,6.56,6.311066071123305,6.071578523930368,5.841178807849024,5.619520529279102,5.406273333397666,5.201119482123771,5.003752093472054,4.813875141552725,4.631203456571568,4.4554627248299505,1.55,1.55,1.55,1.55,1.55,1.55,1.55,1.55,1.55,1.55,1.55,3.88,3.88,3.88,3.88,3.88,3.88,3.88,3.88,3.88,3.88,3.88,first
+277,7.34,92,3.185372954870666e+17,0.63,-0.4620354595965587,44.6,Branched,Base,0,1.425097586228532,1.2094215358306935,3.51,1.1234753668617892,0.35938192212470266,0.11499656150062229,0.03681777915113002,0.011795432024728533,0.0037796845049622467,0.001210262482143739,0.00038739188748719507,0.00012406439623309864,3.994362366117823e-05,2.92,2.92,2.92,2.92,2.92,2.92,2.92,2.92,2.92,2.92,2.92,2.86,5.24652463313821,6.0106180778752964,6.255003438499378,6.333182220848869,6.358204567975271,6.366220315495037,6.368789737517856,6.369612608112512,6.369875935603766,6.369960056376338,first
+276,11.65,92,2.2253455209854384e+17,0.69,-0.37106368139083207,131.1,Unknown,Base,1,0.8614338403374142,0.5327391332411443,1.89,1.4334913197904453,1.4328076828596275,1.4321741018301466,1.432208363800877,1.4318790365169567,1.4312663678899293,1.4312351356633681,1.4315958055459623,1.4318738015617782,1.4331363441726617,2.57,2.57,2.57,2.57,2.57,2.57,2.57,2.57,2.57,2.57,2.57,4.6,4.752169560069851,4.75239743904679,4.752608632723286,4.752597212066374,4.752706987827681,4.752911210703357,4.752921621445544,4.752801398151346,4.75270873281274,4.752287885275779,third
+273,3.78,96,6.787887366043167e+16,4.4,1.4816045409242156,81.2,Branched,Base,1,0.029029941663620728,0.025067474537182985,3.0,2.9656337257031202,2.9416694236172227,2.9247764656627906,2.9125480001622495,2.9040226455039844,2.8982868252213416,2.894193828812647,2.890979858339306,2.888684537139744,2.8870455452255204,0.5,0.4828168628515602,0.47083471180861136,0.46238823283139546,0.4562740000811247,0.4520113227519923,0.4491434126106709,0.44709691440632354,0.44548992916965324,0.4443422685698721,0.44352277261276035,4.19,4.20718313714844,4.219165288191388,4.227611767168605,4.233725999918875,4.2379886772480075,4.240856587389329,4.242903085593676,4.244510070830346,4.245657731430128,4.246477227387239,third
+272,8.94,100,5.503115230968849e+16,4.95,1.599387576580599,91.2,Branched,None,1,0.003435605189442893,0.0022269178750557324,3.23,2.997761854539352,2.8124841554456146,2.660086875284216,2.53178939791432,2.4235185555959595,2.331591116515999,2.252426867189358,2.1825486124590117,2.118836672737645,2.061389857192792,3.35,3.35,3.35,3.35,3.35,3.35,3.35,3.35,3.35,3.35,3.35,2.95,3.0274127151535493,3.089171948184795,3.139971041571928,3.182736867361893,3.21882714813468,3.2494696278280006,3.2758577109368807,3.299150462513663,3.3203877757541185,3.3395367142690695,third
+276,8.63,97,4.733121720011722e+17,1.0,0.0,120.6,Ring,Base,1,0.2073281453467745,0.18050885883663517,6.18,1.4645782482937102,1.4241669993209227,1.4223960390452473,1.4216628007860244,1.4216541577540651,1.4220293454103148,1.4230554720579804,1.4238950071972123,1.4238241224759844,1.4236241150394695,1.29,1.29,1.29,1.29,1.29,1.29,1.29,1.29,1.29,1.29,1.29,1.72,3.291807250568763,3.3052776668930264,3.3058679869849183,3.3061123997379926,3.3061152807486454,3.305990218196562,3.3056481759806733,3.3053683309342627,3.305391959174672,3.305458628320177,third
+278,4.56,93,3.8365086132112134e+17,4.58,1.5216989981260935,127.2,Linear,None,1,1.2856623598355257,0.9477910422352827,1.25,0.9850412572657518,0.9858298616508778,0.9843900177673838,0.9841296119923467,0.9837779771236662,0.9840078551943927,0.9852901550001514,0.9848377171255621,0.9847182817949626,0.9847582430730987,3.14,3.0075206286328755,3.0079149308254385,3.007195008883691,3.007064805996172,3.0068889885618315,3.007003927597195,3.007645077500074,3.0074188585627795,3.0073591408974796,3.0073791215365473,3.82,3.9524793713671245,3.9520850691745615,3.952804991116309,3.9529351940038278,3.9531110114381685,3.952996072402805,3.952354922499926,3.9525811414372205,3.9526408591025204,3.9526208784634527,third
+271,13.5,92,4.079156337511773e+16,2.88,1.0577902941478545,85.5,Branched,Base,0,0.07535932088131063,0.056251051866291195,4.92,4.859712543294952,4.7994250865899035,4.739137629884855,4.678850173179806,4.6185627164747585,4.55827525976971,4.497987803064661,4.4377003463596125,4.377412889654564,4.317125432949515,2.37,2.37,2.37,2.37,2.37,2.37,2.37,2.37,2.37,2.37,2.37,0.29,0.3502874567050485,0.41057491341009705,0.47086237011514553,0.531149826820194,0.5914372835252425,0.6517247402302911,0.7120121969353397,0.7722996536403882,0.8325871103454369,0.8928745670504854,zero
+270,4.5,93,3.653942137300653e+17,3.79,1.332366019094335,180.2,Unknown,Base,1,0.37168949904021764,0.3096249620109207,8.0,6.850997817906705,6.185791573016726,5.799233080551158,5.576606536089154,5.445745762887902,5.372013974331233,5.327074939306575,5.302036592077785,5.288306515406199,5.279397319930489,0.97,0.97,0.97,0.97,0.97,0.97,0.97,0.97,0.97,0.97,0.97,3.59,4.739002182093295,5.404208426983274,5.790766919448842,6.0133934639108455,6.144254237112098,6.2179860256687665,6.262925060693425,6.287963407922215,6.301693484593801,6.310602680069511,first
+277,13.57,94,2.6919988208454164e+16,2.93,1.075002423028976,124.2,Ring,Base,0,0.050535916325288574,0.02686012903156931,3.73,3.6895712669397693,3.6491425338795382,3.6087138008193076,3.5682850677590765,3.5278563346988454,3.4874276016386148,3.4469988685783837,3.406570135518153,3.366141402457922,3.3257126693976913,2.34,2.34,2.34,2.34,2.34,2.34,2.34,2.34,2.34,2.34,2.34,4.17,4.210428733060231,4.250857466120461,4.291286199180693,4.331714932240923,4.372143665301154,4.412572398361385,4.453001131421615,4.493429864481847,4.5338585975420775,4.574287330602308,zero
+272,12.05,99,4.471669697101383e+17,1.42,0.35065687161316933,76.3,Linear,Acid,1,0.043442060245693824,0.03184439108572059,4.07,4.042500346983971,4.016608088592365,3.992229340807129,3.9692754807827066,3.947662659231909,3.9273132169402687,3.90815380568027,3.890114815560676,3.873130375026531,3.8571383508591595,4.12,4.12,4.12,4.12,4.12,4.12,4.12,4.12,4.12,4.12,4.12,4.44,4.46749965301603,4.4933919114076355,4.5177706591928715,4.540724519217294,4.562337340768092,4.582686783059732,4.601846194319731,4.619885184439325,4.63686962497347,4.652861649140842,first
+280,10.59,90,4.206746642700518e+17,4.35,1.4701758451005926,77.5,Branched,Enzyme,0,6.81764282690424,4.5286459917610475,3.11,0.17483071792186797,0.12380796360096737,0.10106150892327577,0.08755451601275942,0.07829737840636404,0.07152839909989213,0.06618537058863078,0.061902020895975136,0.05838653601744686,0.05540283167231256,3.85,3.85,3.85,3.85,3.85,3.85,3.85,3.85,3.85,3.85,3.85,2.91,3.8883897606927103,3.9053973454663438,3.9129794970255745,3.9174818279957466,3.9205675405312115,3.922823866966702,3.9246048764704557,3.926032659701341,3.927204487994184,3.9281990561092286,third
+278,3.77,96,4.178720462131715e+17,2.65,0.9745596399981308,44.6,Unknown,Base,1,0.3824111507033975,0.26846904909372304,7.35,6.726841575647849,6.673669563942913,6.668656104312297,6.668186888476365,6.668249900138815,6.668068401262758,6.668068835910324,6.668551593298182,6.668219032057632,6.668259511068241,1.1,0.4768415756478498,0.423669563942914,0.4186561043122971,0.41818688847636476,0.4182499001388149,0.4180684012627578,0.41806883591032423,0.4185515932981824,0.41821903205763167,0.41825951106824166,3.29,3.91315842435215,3.9663304360570857,3.9713438956877027,3.9718131115236353,3.971750099861185,3.971931598737242,3.9719311640896757,3.9714484067018176,3.9717809679423683,3.971740488931758,second
+270,11.9,90,3.906017200917244e+17,2.47,0.9042181506398859,34.6,Unknown,None,0,1.5120238030812099,0.8974719193470515,7.95,0.3942758569333884,0.20205626227870735,0.13586545939529246,0.10241120462537097,0.08211974768446617,0.06857010854876713,0.05880898883248639,0.051556763585973324,0.04585313312280807,0.04127471295553015,0.35,0.35,0.35,0.35,0.35,0.35,0.35,0.35,0.35,0.35,0.35,0.14,3.9178620715333063,4.013971868860647,4.047067270302354,4.063794397687315,4.073940126157767,4.080714945725616,4.085595505583757,4.089221618207014,4.092073433438596,4.094362643522235,second
+270,2.5,91,1.3380543035061632e+17,2.29,0.8285518175661483,88.3,Unknown,Enzyme,0,0.3317642599787033,0.18762882597116892,7.26,1.49932852345149,0.8369106651170075,0.5800993076573766,0.44361664282125324,0.3596944592110821,0.3019101806167017,0.2605295685579324,0.22901212005292665,0.20419289549111053,0.18423442017049094,3.66,3.66,3.66,3.66,3.66,3.66,3.66,3.66,3.66,3.66,3.66,3.45,6.330335738274256,6.661544667441497,6.789950346171312,6.858191678589374,6.90015277039446,6.929044909691649,6.949735215721034,6.965493939973537,6.977903552254445,6.987882789914755,second
+274,10.44,98,3.1891541267117926e+17,1.38,0.3220834991691132,89.3,Ring,Acid,0,0.06615128245329352,0.04977859641730508,9.34,8.858568852741946,8.401953183033358,7.9688619275209005,7.558082760306598,7.168483967742445,6.798981696798296,6.448539781248178,6.116169741670287,5.800930785446985,5.501929806764808,1.78,1.78,1.78,1.78,1.78,1.78,1.78,1.78,1.78,1.78,1.78,3.06,3.5414311472580544,3.998046816966642,4.431138072479099,4.841917239693402,5.231516032257555,5.601018303201704,5.951460218751821,6.283830258329712,6.599069214553014,6.898070193235192,first
+272,10.67,92,1.1244918618607182e+17,2.06,0.7227059828014898,145.5,Linear,Acid,0,0.24139006330232804,0.21340801871303916,5.54,1.7692299480280074,1.0528897793697802,0.7490346107976669,0.5817122208949933,0.47524956875842284,0.40194244045068483,0.3478419451185022,0.3069963348623714,0.2746384522725733,0.24830085695326715,4.87,4.87,4.87,4.87,4.87,4.87,4.87,4.87,4.87,4.87,4.87,4.12,6.005385025985996,6.36355511031511,6.5154826946011655,6.5991438895525025,6.652375215620788,6.689028779774657,6.716079027440748,6.7365018325688135,6.752680773863713,6.765849571523366,second
+277,5.52,90,2.765344382822201e+17,4.72,1.5518087995974639,31.1,Ring,Base,1,2.948441916208662,1.8357698158100386,8.96,1.238774482268578,1.2381335322708895,1.2383959089702297,1.240157890526644,1.239699516999651,1.2383887153566568,1.2381077929445152,1.238891113573177,1.2402834395670057,1.2399091957932113,1.93,1.93,1.93,1.93,1.93,1.93,1.93,1.93,1.93,1.93,1.93,0.48,3.053741839243806,3.053955489243035,3.0538680303432546,3.0532807031577818,3.0534334943334454,3.0538704282144433,3.0539640690184897,3.053702962142269,3.053238853477658,3.0533636014022556,third
+275,12.12,92,4.3733583034020486e+17,3.23,1.172482137234565,152.0,Unknown,Enzyme,0,1.4632634836140972,1.069790243489555,5.12,1.5906582497959865,0.4936740829191215,0.1531990394312981,0.04757344824603096,0.014786096566256596,0.004595189277001446,0.0014263683003215319,0.0004426278677983952,0.0001373550941543902,4.289867181844066e-05,4.62,4.62,4.62,4.62,4.62,4.62,4.62,4.62,4.62,4.62,4.62,3.75,3.75,3.75,3.75,3.75,3.75,3.75,3.75,3.75,3.75,3.75,first
+276,13.52,90,4.2986857092709414e+17,2.85,1.0473189942805592,114.2,Branched,Enzyme,0,3.978191866425066,2.7793400690025196,7.68,0.17801234669852073,0.10038297265393184,0.0706478182786033,0.05467028659616989,0.04468639051862397,0.03781276299252894,0.032825193856205005,0.028974001686970726,0.025948412416188688,0.02350124754819728,4.46,0.7090061733492605,0.6701914863269661,0.6553239091393018,0.6473351432980852,0.6423431952593122,0.6389063814962646,0.6364125969281027,0.6344870008434855,0.6329742062080945,0.6317506237740987,4.08,7.830993826650741,7.869808513673035,7.884676090860699,7.892664856701916,7.897656804740689,7.901093618503737,7.903587403071898,7.905512999156516,7.907025793791907,7.9082493762259025,third
+270,2.26,99,2.4715769279286563e+17,3.84,1.3454723665996355,39.5,Linear,Enzyme,0,0.01736125263210463,0.012573169800447452,8.85,8.727931994860757,8.607547673311,8.488823812188752,8.37173749935616,8.256266154087944,8.142387512658598,8.030079608330754,7.919320771355178,7.810089628970775,7.702365105404581,0.98,0.98,0.98,0.98,0.98,0.98,0.98,0.98,0.98,0.98,0.98,4.93,5.052068005139242,5.172452326689,5.2911761878112475,5.40826250064384,5.523733845912057,5.6376124873414035,5.749920391669247,5.860679228644822,5.969910371029226,6.07763489459542,first
+277,7.94,96,2.7744470078722326e+17,2.94,1.0784095813505903,53.2,Ring,Enzyme,1,0.21854590687954437,0.1792068128732818,6.27,1.6659424750192544,1.5453010205898818,1.53367813629595,1.5325822005062117,1.5328198226564989,1.531150071832977,1.533793580263169,1.533103068727698,1.531853821353553,1.5329483607177816,4.02,1.717971237509627,1.6576505102949406,1.6518390681479747,1.6512911002531057,1.6514099113282492,1.6505750359164881,1.6518967901315842,1.6515515343638487,1.6509269106767763,1.6514741803588906,2.36,4.6620287624903725,4.722349489705059,4.728160931852026,4.728708899746894,4.7285900886717505,4.7294249640835115,4.728103209868415,4.728448465636151,4.729073089323224,4.728525819641109,third
+279,7.71,94,2.3314108280925814e+17,3.56,1.269760544863939,190.2,Ring,Acid,0,0.5864292068920118,0.31839982631918673,9.15,5.723685582317596,3.57842273494183,2.2407748593476233,1.4005049763130448,0.8775226251917798,0.5484014942557722,0.3436778757090925,0.2148059878218534,0.13459475837644694,0.08422045207371287,0.69,0.69,0.69,0.69,0.69,0.69,0.69,0.69,0.69,0.69,0.69,1.39,4.816314417682404,6.96157726505817,8.299225140652377,9.139495023686957,9.66247737480822,9.991598505744228,10.196322124290907,10.325194012178146,10.405405241623553,10.455779547926287,first
+271,7.74,92,3.349604714932675e+17,2.78,1.0224509277025455,114.1,Linear,Base,0,0.6188140773543813,0.3253013190354797,4.02,2.4498340074885627,1.4933999942609244,0.9099326826523826,0.5554976148446102,0.33849928521124334,0.20658685629808535,0.12590199385330614,0.07682963036165874,0.04682887174471496,0.02858539564853123,4.11,4.11,4.11,4.11,4.11,4.11,4.11,4.11,4.11,4.11,4.11,1.67,1.67,1.67,1.67,1.67,1.67,1.67,1.67,1.67,1.67,1.67,first
+280,6.92,93,4.5618066711637715e+17,3.18,1.1568811967920856,38.8,Linear,Enzyme,0,2.0377349477373663,1.211640972222376,9.0,5.699998734400487,5.6999984779174655,5.699997898726731,5.699999302548379,5.699999036163338,5.699998452556989,5.699999383928888,5.69999713725371,5.6999990085512104,5.700000326247597,1.65,-6.327997561112398e-07,-7.61041267195642e-07,-1.0506366339616337e-06,-3.4872581017601236e-07,-4.819183307746605e-07,-7.73721504812528e-07,-3.080355551286554e-07,-1.4313731446367837e-06,-4.95724394960962e-07,1.6312379920123503e-07,0.11,1.7600006327997566,1.760000761041268,1.7600010506366348,1.760000348725811,1.7600004819183315,1.7600007737215055,1.760000308035556,1.7600014313731456,1.760000495724396,1.7599998368762018,third
+272,4.54,94,2.4426319357123226e+17,1.11,0.10436001532424286,98.2,Ring,Enzyme,1,0.21653544443476816,0.1816896670545263,4.79,1.177007045183926,1.069829758996776,1.054613842188508,1.0523106121048764,1.0516524379487497,1.0514294297565576,1.0517009659090193,1.0514809289058111,1.0518406631580237,1.0520878347028306,3.28,3.28,3.28,3.28,3.28,3.28,3.28,3.28,3.28,3.28,3.28,0.14,1.344330984938691,1.3800567470010745,1.385128719270497,1.3858964626317076,1.386115854017083,1.386190190081147,1.3860996780303265,1.3861730236980627,1.3860531122806585,1.385970721765723,third
+276,10.06,100,2.936182799140961e+17,0.68,-0.3856624808119846,80.3,Ring,None,0,0.034794079173966,0.02269590187191308,2.93,2.9021647366608274,2.8743294733216547,2.846494209982482,2.8186589466433087,2.790823683304136,2.7629884199649632,2.7351531566257905,2.7073178932866178,2.679482629947445,2.651647366608272,4.77,4.77,4.77,4.77,4.77,4.77,4.77,4.77,4.77,4.77,4.77,3.12,3.147835263339173,3.1756705266783456,3.2035057900175183,3.2313410533566915,3.2591763166958643,3.287011580035037,3.3148468433742098,3.3426821067133825,3.3705173700525553,3.3983526333917284,zero
+277,10.09,91,5.398466029583496e+16,2.92,1.0715836162801904,87.6,Branched,Base,1,0.3728500513740372,0.32193648663885444,7.59,6.593335175349356,6.0230784659206895,5.694634523014831,5.508074156387292,5.399040175362898,5.338684056643722,5.3021266673135266,5.281724396501406,5.271186355589736,5.264088915802136,2.89,2.89,2.89,2.89,2.89,2.89,2.89,2.89,2.89,2.89,2.89,3.75,4.746664824650644,5.31692153407931,5.645365476985169,5.831925843612708,5.940959824637102,6.0013159433562775,6.037873332686473,6.058275603498594,6.068813644410264,6.075911084197864,first
+270,2.24,91,2.2028768451865702e+17,2.5,0.9162907318741551,166.4,Ring,Acid,0,0.5461929343618577,0.4268980691645324,1.05,0.19965953634457292,0.11178265441521867,0.07775779961213776,0.059598004141665495,0.04836402589082199,0.04067943755665619,0.035146733652662146,0.03089788208493515,0.027577540708347916,0.024904428021421156,4.98,4.5548297681722865,4.510891327207609,4.493878899806068,4.484799002070832,4.479182012945411,4.4753397187783275,4.472573366826331,4.470448941042467,4.468788770354173,4.46745221401071,3.0,3.4251702318277135,3.4691086727923905,3.4861211001939307,3.495200997929167,3.500817987054589,3.5046602812216716,3.5074266331736688,3.5095510589575323,3.5112112296458258,3.5125477859892893,third
+278,5.99,94,5.686941793520196e+16,3.27,1.184789984909162,159.5,Branched,Base,0,0.12364266584428805,0.09745094744946992,5.22,4.728382753769184,4.283049693093419,3.879341676685746,3.51352675631585,3.1823079385774635,2.8825607256723327,2.6113331154102193,2.3658456012088975,2.143491172094158,1.9418353126998027,1.95,1.95,1.95,1.95,1.95,1.95,1.95,1.95,1.95,1.95,1.95,1.38,1.871617246230816,2.3169503069065804,2.720658323314254,3.0864732436841495,3.417692061422536,3.717439274327667,3.9886668845897804,4.234154398791102,4.456508827905841,4.6581646873001965,first
+270,4.15,92,1.4364551890473958e+17,3.64,1.2919836816486494,109.1,Unknown,Enzyme,0,0.2281283846512343,0.18798760418941313,5.03,0.9403863417518062,0.6713005595274761,0.5494476580615822,0.47665870334824934,0.4266095627848857,0.38994283408379776,0.360965456444548,0.3377008411383832,0.3185816535510675,0.30234847286057476,4.75,4.75,4.75,4.75,4.75,4.75,4.75,4.75,4.75,4.75,4.75,0.7,2.063204552749398,2.1528998134908415,2.193517447312806,2.21778043221725,2.2344634790717044,2.2466857219720673,2.256344847851817,2.264099719620539,2.270472782149644,2.2758838423798085,third
+280,2.96,100,1.5912369594442445e+17,0.85,-0.16251892949777494,31.0,Branched,Acid,1,0.03514248847615843,0.023721164842296368,7.81,2.3717319146690987,1.7812149000213087,1.5335332423945136,1.4014673958234498,1.3235141051524382,1.2740318062313718,1.2417158397763188,1.2209187622283917,1.2063973156333432,1.196480482771902,0.76,0.76,0.76,0.76,0.76,0.76,0.76,0.76,0.76,0.76,0.76,0.19,2.0027560284436334,2.19959503332623,2.2821555858684954,2.3261775347255167,2.3521619649491874,2.3686560645895427,2.379428053407894,2.386360412590536,2.3912008947888856,2.394506505742699,third
+280,11.55,94,1.5716043890286445e+17,3.49,1.2499017362143359,145.7,Linear,None,0,0.4568725099826226,0.3180261787701127,9.07,6.293191517429788,4.364970084312995,3.0284960467138062,2.103410688855195,1.4582433836169337,1.0129136331236706,0.7029626877228163,0.48751845055440185,0.33887795164443213,0.2351480159436421,2.92,2.92,2.92,2.92,2.92,2.92,2.92,2.92,2.92,2.92,2.92,2.57,5.346808482570212,7.2750299156870035,8.611503953286192,9.536589311144803,10.181756616383066,10.627086366876327,10.937037312277182,11.152481549445596,11.301122048355566,11.404851984056355,first
+276,1.89,99,1.687963423375688e+17,4.97,1.6034198401085373,122.1,Branched,Base,1,0.030927731494922464,0.01727666839623652,6.36,2.519556393942146,1.976587462728096,1.76347297075497,1.6595242509703503,1.6034548649684006,1.5729569276260609,1.5552760226815772,1.5447703428084927,1.539379190717669,1.5358608851424718,4.87,4.87,4.87,4.87,4.87,4.87,4.87,4.87,4.87,4.87,4.87,4.81,6.090147868685951,6.271137512423968,6.3421756764150095,6.376825249676549,6.395515045010533,6.405681024124646,6.41157465910614,6.415076552397169,6.41687360309411,6.418046371619176,third
+271,10.57,98,2.4910823609808854e+17,1.48,0.3920420877760237,41.5,Unknown,Acid,0,0.03209419216870668,0.02162021133000268,2.79,2.03359282026803,1.6411696814019812,1.3875209937994049,1.2086845123439909,1.076055334593193,0.9731484542032431,0.8891108750723442,0.8198164269512763,0.7616653618257085,0.711866873585233,2.82,2.441796410134015,2.2455848407009906,2.1187604968997023,2.0293422561719954,1.9630276672965963,1.9115742271016216,1.869555437536172,1.834908213475638,1.8058326809128542,1.7809334367926164,2.59,2.968203589865985,3.164415159299009,3.2912395031002974,3.3806577438280043,3.446972332703403,3.4984257728983783,3.540444562463828,3.5750917865243617,3.6041673190871455,3.6290665632073833,third
+271,4.35,99,3.547647455921658e+17,3.7,1.308332819650179,194.6,Branched,Acid,0,0.02932406052645222,0.015146595641523264,5.89,5.315863773623344,4.855889783795982,4.478047610001018,4.16408062878294,3.900554829326357,3.675642627143812,3.479208371717253,3.306441382415393,3.154256799662434,3.019204156509686,4.67,4.0958637736233445,3.6358897837959825,3.258047610001018,2.94408062878294,2.6805548293263572,2.455642627143812,2.259208371717253,2.0864413824153933,1.9342567996624342,1.7992041565096863,2.91,3.4841362263766555,3.944110216204018,4.321952389998982,4.63591937121706,4.899445170673643,5.124357372856188,5.320791628282747,5.493558617584608,5.6457432003375665,5.780795843490314,second
+280,1.74,93,4.949564567482867e+17,2.02,0.7030975114131134,188.0,Linear,Base,1,2.2109443521571657,1.4380678469170063,1.62,1.1624900025847706,1.1629008130276806,1.1629403388775754,1.1623252878876267,1.1615699995511195,1.1609861451261452,1.1606300418948066,1.1604525323426609,1.1604143760243086,1.1613701545119015,2.26,2.0312450012923855,2.03145040651384,2.031470169438787,2.0311626439438135,2.0307849997755594,2.0304930725630723,2.030315020947403,2.03022626617133,2.0302071880121537,2.03068507725595,3.98,4.208754998707615,4.208549593486159,4.208529830561211,4.208837356056185,4.2092150002244395,4.2095069274369274,4.2096849790525965,4.209773733828669,4.209792811987846,4.20931492274405,third
+273,5.28,91,2.84980636551266e+17,0.62,-0.4780358009429998,83.4,Branched,Acid,0,1.103163359806921,0.7247770360136719,6.33,5.447469312154463,4.564938624308926,3.682407936463389,2.7998772486178525,1.917346560772316,1.0348158729267771,0.15228518508123834,-0.7302455027642996,-1.6127761906098375,-2.495306878455377,3.37,3.37,3.37,3.37,3.37,3.37,3.37,3.37,3.37,3.37,3.37,0.8,1.6825306878455373,2.565061375691074,3.4475920635366113,4.330122751382148,5.212653439227685,6.095184127073223,6.977714814918762,7.8602455027643,8.742776190609838,9.625306878455378,zero
+277,11.35,93,2.3705468011858733e+17,4.67,1.541159071680806,33.6,Ring,None,0,0.6869946131761536,0.5883205464182184,5.75,5.200404309459077,4.650808618918155,4.101212928377231,3.5516172378363082,3.002021547295386,2.4524258567544623,1.9028301662135396,1.3532344756726173,0.8036387851316937,0.254043094590771,3.86,3.86,3.86,3.86,3.86,3.86,3.86,3.86,3.86,3.86,3.86,3.53,4.079595690540923,4.629191381081846,5.178787071622769,5.728382762163692,6.277978452704614,6.827574143245538,7.377169833786461,7.926765524327383,8.476361214868307,9.02595690540923,zero
+271,6.67,93,1.9399206883536864e+17,2.93,1.075002423028976,83.6,Branched,Acid,1,0.22993013255760933,0.15296184154807455,5.56,2.225765962922617,1.787220327559134,1.6858360934611067,1.66009937204826,1.6528745277796497,1.6510770954506635,1.6508028542310393,1.6503915851674438,1.6503104497635173,1.650996649585652,4.86,4.86,4.86,4.86,4.86,4.86,4.86,4.86,4.86,4.86,4.86,2.14,3.8071170185386913,4.0263898362204324,4.077081953269446,4.089950313975869,4.093562736110175,4.094461452274668,4.094598572884481,4.094804207416278,4.094844775118241,4.094501675207174,second
+278,4.7,91,3.375203437521042e+17,4.54,1.5129270120532565,138.3,Linear,Enzyme,0,2.6871570901683377,1.8582887406980504,8.64,6.490274327865331,4.34054865573066,2.19082298359599,0.04109731146131956,-2.108628360673352,-4.258354032808025,-6.408079704942695,-8.55780537707737,-10.707531049212037,-12.857256721346712,0.19,0.19,0.19,0.19,0.19,0.19,0.19,0.19,0.19,0.19,0.19,2.67,4.819725672134671,6.96945134426934,9.119177016404011,11.268902688538681,13.418628360673353,15.568354032808026,17.718079704942696,19.86780537707737,22.01753104921204,24.16725672134671,zero
+270,7.75,92,2.9147375306620544e+17,3.13,1.1410330045520618,90.0,Unknown,Enzyme,0,0.4628994831319604,0.39560432084710906,7.33,5.061346819323717,3.49417841205371,2.4114325798439005,1.6677464136692737,1.1508485852059211,0.7950074936594581,0.5495909175429006,0.37916082453207234,0.26221167211809543,0.18115318570841943,0.06,0.06,0.06,0.06,0.06,0.06,0.06,0.06,0.06,0.06,0.06,4.7,6.968653180676283,8.53582158794629,9.618567420156099,10.362253586330725,10.879151414794078,11.234992506340541,11.4804090824571,11.650839175467928,11.767788327881904,11.84884681429158,first
+280,3.3,100,1.4987131256559373e+17,4.65,1.536867219599265,65.7,Linear,Enzyme,1,0.03309909843083721,0.01998691107466611,7.98,7.787991448750982,7.60396655258758,7.427591092093374,7.258547670017357,7.09653431206447,6.94125983569908,6.792443849828452,6.649816754802739,6.513119742414991,6.382104795901153,4.43,4.43,4.43,4.43,4.43,4.43,4.43,4.43,4.43,4.43,4.43,0.95,1.1420085512490181,1.3260334474124205,1.5024089079066256,1.6714523299826425,1.8334656879355302,1.9887401643009195,2.137556150171548,2.280183245197261,2.4168802575850084,2.5478952040988476,first
+274,12.32,99,1.4102511121593042e+17,1.34,0.29266961396282004,47.7,Branched,Base,0,0.018858839002347336,0.01405507105161668,3.02,2.9747790285971796,2.9302351885053173,2.8863583405789575,2.843138495361327,2.800565813139889,2.758630609551692,2.717323340861987,2.676634602865332,2.6365551308855917,2.5970757997759377,0.89,0.89,0.89,0.89,0.89,0.89,0.89,0.89,0.89,0.89,0.89,4.85,4.85,4.85,4.85,4.85,4.85,4.85,4.85,4.85,4.85,4.85,first
+276,9.69,99,2.2841899276579494e+17,3.65,1.2947271675944,154.3,Unknown,Acid,1,0.04185209927400666,0.02345857426368201,7.92,5.052247095051258,4.461702084596183,4.228756043637483,4.119935661634687,4.0655646939381445,4.037158135820315,4.0222647509264435,4.014294488490316,4.010097333733794,4.007790955636085,2.08,0.6461235475256292,0.3508510422980917,0.23437802181874162,0.17996783081734377,0.15278234696907245,0.1385790679101573,0.131132375463222,0.12714724424515836,0.12504866686689728,0.12389547781804255,1.55,2.983876452474371,3.279148957701908,3.3956219781812584,3.450032169182656,3.4772176530309276,3.4914209320898424,3.498867624536778,3.5028527557548417,3.5049513331331026,3.5061045221819573,third
+279,9.54,97,2.3606595876436064e+17,4.91,1.5912739418064292,33.4,Unknown,None,0,0.16290974610173184,0.12240108604432119,1.75,1.6196722031186146,1.489344406237229,1.3590166093558438,1.2286888124744584,1.0983610155930728,0.968033218711687,0.8377054218303015,0.707377624948916,0.5770498280675302,0.4467220311861446,1.48,1.48,1.48,1.48,1.48,1.48,1.48,1.48,1.48,1.48,1.48,3.84,3.9703277968813855,4.100655593762771,4.230983390644156,4.3613111875255415,4.4916389844069275,4.621966781288313,4.752294578169698,4.882622375051084,5.01295017193247,5.143277968813855,zero
+275,13.8,93,2.576060828870058e+17,1.79,0.5822156198526637,160.4,Linear,Base,0,0.5565607593776987,0.44346636841902304,7.24,4.637810342232601,2.971350621364676,1.9020786839481192,1.2212724410589442,0.7816433547087516,0.5017169848851954,0.3211717352702438,0.2060516141025131,0.13205950122013974,0.08463425508267736,3.47,3.47,3.47,3.47,3.47,3.47,3.47,3.47,3.47,3.47,3.47,4.38,4.38,4.38,4.38,4.38,4.38,4.38,4.38,4.38,4.38,4.38,first
+274,10.49,92,4.855235782043022e+17,0.59,-0.527632742082372,190.6,Ring,Enzyme,1,1.4026154877923105,1.1473201563429445,9.55,5.88525998396082,5.407129507803611,5.34563288883152,5.337274571966054,5.335696387185578,5.337645519742579,5.331252697349412,5.343060544279241,5.335047714603918,5.338192971026427,2.24,2.24,2.24,2.24,2.24,2.24,2.24,2.24,2.24,2.24,2.24,2.31,5.974740016039181,6.45287049219639,6.5143671111684816,6.522725428033947,6.524303612814423,6.522354480257422,6.528747302650589,6.5169394557207605,6.5249522853960835,6.521807028973575,first
+276,9.66,93,6.57377374305012e+16,2.47,0.9042181506398859,44.3,Ring,Acid,0,0.16457977021510242,0.1374616817880887,6.7,6.568336183827919,6.436672367655836,6.305008551483755,6.173344735311673,6.041680919139591,5.910017102967509,5.7783532867954275,5.646689470623345,5.5150256544512635,5.383361838279182,4.76,4.76,4.76,4.76,4.76,4.76,4.76,4.76,4.76,4.76,4.76,2.86,2.991663816172082,3.1233276323441634,3.254991448516246,3.386655264688328,3.5183190808604095,3.6499828970324915,3.7816467132045735,3.9133105293766555,4.044974345548737,4.176638161720819,zero
+271,5.86,98,3.482032773030146e+17,2.64,0.9707789171582248,108.0,Branched,Enzyme,0,0.044861234098803694,0.029988826320257362,1.27,1.225229178795226,1.1820366494213865,1.1403667616863564,1.1001656362308008,1.061381675291206,1.0239651096372762,0.9878677644022994,0.953043059083148,0.9194460075402785,0.8870332179977316,1.7,1.7,1.7,1.7,1.7,1.7,1.7,1.7,1.7,1.7,1.7,3.22,3.264770821204774,3.3079633505786137,3.349633238313644,3.3898343637691997,3.4286183247087942,3.466034890362724,3.502132235597701,3.5369569409168524,3.570553992459722,3.6029667820022686,first
+274,4.14,95,2.027936140764908e+17,4.49,1.501852701754163,26.9,Ring,None,0,0.15698198174682548,0.09129217313115628,1.0,0.881979859131182,0.7778892521279055,0.6859966653409584,0.6048045656023786,0.5332244773318742,0.47022600682589466,0.4148269658008463,0.36609337139309184,0.32313944615895035,0.2851276180746973,0.49,0.49,0.49,0.49,0.49,0.49,0.49,0.49,0.49,0.49,0.49,4.84,4.84,4.84,4.84,4.84,4.84,4.84,4.84,4.84,4.84,4.84,first
+272,7.58,95,2.8234519227841018e+17,0.75,-0.2876820724517809,103.1,Branched,None,0,0.1608441641780764,0.1411816736993366,5.83,5.126079532025581,4.507156231626777,3.9623678554835307,3.4823968372174874,3.060580019797243,2.6905905896743545,2.366378741205026,2.0821716766501015,1.8324736061750722,1.6120657478500746,1.47,1.47,1.47,1.47,1.47,1.47,1.47,1.47,1.47,1.47,1.47,0.31,0.31,0.31,0.31,0.31,0.31,0.31,0.31,0.31,0.31,0.31,first
+270,8.64,96,4.172276908680465e+17,3.08,1.1249295969854831,98.7,Branched,Acid,0,0.11152850980312558,0.09470907657963105,2.63,2.405507829884216,2.2001390730988635,2.012221125643604,1.840355034090396,1.683224361725281,1.5395865890330316,1.4082731136971547,1.2881892505998886,1.1783142318222053,1.0777411480882564,1.22,1.22,1.22,1.22,1.22,1.22,1.22,1.22,1.22,1.22,1.22,0.12,0.3444921701157838,0.549860926901137,0.7377788743563964,0.9096449659096043,1.0667756382747196,1.2104134109669689,1.3417268863028458,1.4618107494001116,1.571685768177795,1.6722588519117438,first
+278,3.09,90,7.328798451919062e+16,3.59,1.2781522025001875,152.7,Linear,Acid,1,0.8993465112610506,0.4582043720646599,2.29,1.2033631121537698,1.203934872211211,1.2050341148167085,1.2045429479086938,1.205273840685917,1.2045331381180657,1.2039014419929854,1.203783027912123,1.2027865654629404,1.203782072205103,1.01,1.01,1.01,1.01,1.01,1.01,1.01,1.01,1.01,1.01,1.01,3.06,3.4222122959487438,3.42202170926293,3.4216552950610972,3.421819017363769,3.421575386438028,3.4218222872939785,3.422032852669006,3.422072324029294,3.422404478179022,3.422072642598301,third
+278,3.56,99,1.9201230038112787e+17,4.71,1.5496879080283263,61.2,Unknown,Enzyme,1,0.04798580160862286,0.02986732884784553,3.48,3.4023722601835025,3.3294319389428635,3.2608957106829024,3.1964940579972594,3.135980592580458,3.0791238162313936,3.0257036965099724,2.975511666737111,2.928350625994735,2.8840349391257822,0.78,0.78,0.78,0.78,0.78,0.78,0.78,0.78,0.78,0.78,0.78,2.24,2.3176277398164977,2.390568061057137,2.4591042893170982,2.523505942002741,2.584019407419542,2.6408761837686066,2.694296303490028,2.7444883332628893,2.791649374005265,2.835965060874218,first
+280,12.6,96,2.8704917595088253e+17,2.43,0.8878912573524571,74.3,Branched,Enzyme,1,0.35341912870625547,0.27520578814598573,3.2,1.2314929118741968,1.218253373993675,1.2175233107772596,1.217433357863106,1.2179288892008164,1.2196798264119941,1.2188624655055438,1.217462747532969,1.2170144854996725,1.2183195882379432,4.08,4.08,4.08,4.08,4.08,4.08,4.08,4.08,4.08,4.08,4.08,1.66,2.316169029375268,2.3205822086687755,2.3208255630742474,2.3208555473789656,2.3206903702663957,2.3201067245293365,2.3203791781648206,2.3208457508223455,2.320995171500111,2.320560137254021,third
+276,6.72,95,4.96603568032848e+16,2.58,0.9477893989335261,173.2,Unknown,None,0,0.05200510528559081,0.04586029170542913,3.83,2.603028040411018,2.1002601957777802,1.810653101881838,1.616821558445255,1.4747331688448717,1.3660475393770304,1.2781788029285435,1.205663044564572,1.1446935222376544,1.092345980243266,1.86,1.2465140202055092,0.9951300978888902,0.850326550940919,0.7534107792226276,0.6823665844224359,0.6280237696885153,0.5840894014642718,0.547831522282286,0.5173467611188273,0.49117299012163307,1.91,2.5234859797944904,2.7748699021111096,2.9196734490590805,3.016589220777372,3.0876334155775638,3.1419762303114847,3.1859105985357283,3.2221684777177138,3.2526532388811726,3.2788270098783667,third
+273,6.38,94,1.2030748625632851e+17,0.65,-0.4307829160924542,194.3,Branched,Acid,0,0.12419078285994961,0.0737531742242461,3.7,3.6006473737120404,3.5012947474240805,3.401942121136121,3.3025894948481618,3.203236868560202,3.103884242272242,3.0045316159842823,2.9051789896963225,2.8058263634083627,2.706473737120403,3.47,3.47,3.47,3.47,3.47,3.47,3.47,3.47,3.47,3.47,3.47,0.81,0.9093526262879598,1.0087052525759195,1.1080578788638793,1.207410505151839,1.3067631314397985,1.4061157577277585,1.5054683840157184,1.6048210103036777,1.7041736365916376,1.8035262628795974,zero
+274,7.71,95,1.8007958788738282e+17,0.52,-0.6539264674066639,172.0,Ring,None,0,0.1393991162268563,0.10354517858445825,9.12,2.7392974353535635,2.2174157263141847,2.0015354185669656,1.8849866684409868,1.813893534800722,1.7677679572416134,1.7365710873625544,1.715025941821601,1.699754849574515,1.6888783143030908,3.73,0.5396487176767827,0.27870786315709317,0.17076770928348367,0.11249333422049429,0.07694676740036187,0.05388397862080755,0.038285543681278046,0.027512970910801272,0.01987742478725829,0.014439157151546205,0.82,4.010351282323217,4.2712921368429075,4.379232290716517,4.437506665779506,4.473053232599638,4.496116021379192,4.511714456318722,4.522487029089199,4.530122575212742,4.535560842848454,third
+278,12.54,93,3.245534449033796e+17,0.77,-0.2613647641344075,104.1,Linear,Enzyme,0,1.0876194736807079,0.804726355357007,4.19,3.3199044210554343,2.449808842110868,1.5797132631663016,0.7096176842217354,-0.16047789472283114,-1.030573473667399,-1.9006690526119652,-2.7707646315565313,-3.6408602105010974,-4.510955789445665,4.49,4.49,4.49,4.49,4.49,4.49,4.49,4.49,4.49,4.49,4.49,2.91,3.7800955789445667,4.650191157889133,5.5202867368337,6.390382315778266,7.260477894722833,8.1305734736674,9.000669052611967,9.870764631556533,10.740860210501099,11.610955789445667,zero
+280,3.82,100,3.2517770403377216e+17,3.01,1.1019400787607843,67.9,Branched,None,1,0.07181553727046211,0.03817313239334166,4.88,1.8058520549352317,1.2928457194721303,1.0921141050489165,0.9951783214200703,0.9444642548203537,0.9168980639460519,0.9013995438397449,0.8924571951767801,0.8877727178595973,0.8848061576767642,4.37,2.832926027467616,2.5764228597360654,2.4760570525244585,2.4275891607100353,2.4022321274101768,2.388449031973026,2.3806997719198724,2.37622859758839,2.373886358929799,2.3724030788383823,1.46,2.9970739725323843,3.2535771402639346,3.3539429474755416,3.402410839289965,3.4277678725898233,3.441550968026974,3.4493002280801277,3.45377140241161,3.456113641070201,3.4575969211616178,third
+280,6.22,92,4.5164071535366e+17,4.17,1.4279160358107101,100.5,Unknown,Enzyme,0,3.1000088086883397,2.0710564910551383,6.18,0.517853307409949,0.043538316992764475,0.003649838136827306,0.000307171353009597,2.6037912851352446e-05,2.0543718953473525e-06,8.320830798182349e-08,-2.828850217216773e-07,2.9981294008689574e-07,1.35112792848226e-07,2.53,2.53,2.53,2.53,2.53,2.53,2.53,2.53,2.53,2.53,2.53,3.82,9.48214669259005,9.956461683007234,9.996350161863173,9.99969282864699,9.999973962087148,9.999997945628104,9.999999916791692,10.000000282885022,9.99999970018706,9.999999864887206,first
+272,6.29,98,1.1909215299400194e+17,2.75,1.0116009116784799,121.0,Unknown,None,1,0.018004037016321993,0.01220419825193747,8.61,8.102759297875593,7.682651288865039,7.329461779942785,7.030387966223185,6.776382836050328,6.559182656211525,6.371306908454818,6.20614469694395,6.060795313168993,5.9330734943590535,4.78,4.272759297875593,3.85265128886504,3.499461779942785,3.2003879662231856,2.946382836050329,2.729182656211526,2.5413069084548185,2.3761446969439506,2.2307953131689935,2.1030734943590543,3.46,3.967240702124406,4.387348711134959,4.740538220057214,5.039612033776814,5.293617163949671,5.510817343788474,5.698693091545181,5.863855303056049,6.009204686831007,6.136926505640946,second
+274,11.6,90,4.753931217857718e+17,3.27,1.184789984909162,42.8,Linear,Base,0,3.3042257695012,1.7155578073889315,2.85,0.20661938439904048,-2.4367612312019205,-5.080141846802881,-7.7235224624038405,-10.3669030780048,-13.010283693605762,-15.653664309206718,-18.29704492480768,-20.940425540408636,-23.583806156009594,4.18,4.18,4.18,4.18,4.18,4.18,4.18,4.18,4.18,4.18,4.18,4.37,7.01338061560096,9.65676123120192,12.30014184680288,14.943522462403841,17.5869030780048,20.230283693605763,22.873664309206717,25.517044924807678,28.160425540408635,30.803806156009593,zero
+273,8.68,94,3.3355696089848474e+17,0.52,-0.6539264674066639,20.0,Ring,Acid,1,0.34432354453910274,0.2793664430605452,5.23,4.904552735735379,4.7082098196329385,4.587618263299323,4.515157471383565,4.47215798840399,4.4443142180392385,4.428225186878984,4.4191997325875185,4.412881988968166,4.409050984384431,2.96,2.96,2.96,2.96,2.96,2.96,2.96,2.96,2.96,2.96,2.96,4.6,4.925447264264621,5.121790180367062,5.242381736700677,5.314842528616435,5.35784201159601,5.3856857819607615,5.401774813121016,5.4108002674124815,5.417118011031834,5.420949015615569,first
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+274,5.36,95,3.369902918883109e+17,2.19,0.7839015438284094,60.6,Linear,Base,0,0.26086326283486705,0.14444075305474066,9.46,7.678140402706635,6.231971443427568,5.055420998307275,4.100271986106801,3.328747855415759,2.7056055870411853,2.1981974306082064,1.7840171962727571,1.448039194804625,1.1754199887553543,3.08,3.08,3.08,3.08,3.08,3.08,3.08,3.08,3.08,3.08,3.08,3.9,3.9,3.9,3.9,3.9,3.9,3.9,3.9,3.9,3.9,3.9,first
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+275,8.06,91,2.928433646414314e+17,2.36,0.8586616190375187,86.2,Linear,Acid,0,1.5173782985664117,1.0039004934236888,2.2,1.0348240629844296,0.8562301108962901,0.8017385527088947,0.7821732601655019,0.774740018832798,0.7718564160601671,0.77072877783959,0.7702864901049399,0.7701128959865239,0.7700444086266302,1.43,0.2648240629844295,0.08623011089629,0.03173855270889465,0.012173260165501859,0.004740018832797796,0.0018564160601669461,0.0007287778395899837,0.0002864901049397397,0.00011289598652368418,4.4408626629954725e-05,2.3,3.4651759370155704,3.64376988910371,3.698261447291105,3.7178267398344977,3.725259981167202,3.728143583939833,3.72927122216041,3.7297135098950602,3.7298871040134762,3.7299555913733697,second
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+275,6.44,98,2.7297091548129427e+17,4.11,1.4134230285081433,163.4,Linear,None,1,0.066209120176393,0.03488639093327761,2.72,2.3336924832787473,2.108932820820761,1.9666228350254273,1.8769992227280137,1.8176420975705727,1.7780640775399026,1.7525401170914894,1.735024801187264,1.7229937031088025,1.7149146586054782,1.11,1.11,1.11,1.11,1.11,1.11,1.11,1.11,1.11,1.11,1.11,4.96,5.153153758360626,5.265533589589619,5.3366885824872865,5.381500388635994,5.411178951214714,5.430967961230048,5.443729941454255,5.452487599406368,5.458503148445598,5.46254267069726,second
+277,10.22,91,3.532675445227107e+17,2.19,0.7839015438284094,172.4,Linear,None,1,2.439874983046524,1.9673758809794273,7.79,5.166744292700784,5.166955100871043,5.1669954147181745,5.167074015270412,5.167115883578509,5.167116934843698,5.167049541934912,5.166919481968816,5.166722927814167,5.167767649125542,3.52,0.8967442927007843,0.8969551008710437,0.8969954147181758,0.8970740152704126,0.8971158835785095,0.8971169348436979,0.8970495419349123,0.896919481968818,0.8967229278141697,0.8977676491255455,3.12,5.743255707299216,5.743044899128957,5.743004585281826,5.742925984729588,5.742884116421491,5.7428830651563025,5.7429504580650885,5.743080518031184,5.743277072185833,5.742232350874458,second
+272,7.84,95,1.7198179405543155e+17,2.76,1.0152306797290584,184.8,Ring,None,0,0.09797322099047896,0.07477961700357937,8.52,7.119480695990327,7.1003739702584845,7.100007073099013,7.100000369178087,7.09999854736808,7.100001205858007,7.099999745663295,7.100000320217438,7.100001694587762,7.100002295178175,0.71,0.009740347995163618,0.00018698512924237364,3.5365495065682924e-06,1.8458904388576671e-07,-7.26315959776162e-07,6.029290033265092e-07,-1.271683525988435e-07,1.6010871922356983e-07,8.472938816100866e-07,1.1475890880403584e-06,2.29,2.990259652004837,2.999813014870758,2.999996463450494,2.999999815410957,3.0000007263159603,2.999999397070997,3.0000001271683527,2.9999998398912813,2.999999152706119,2.9999988524109127,third
+273,10.86,100,9.505568607349829e+16,4.87,1.5830939370944985,77.2,Branched,Acid,1,0.006977812315241322,0.005641826108574294,2.45,2.4124470787931864,2.377024112212431,2.343583789797843,2.311990911988,2.282122159049423,2.253866260054148,2.227119499639418,2.201785505019167,2.1777752459840207,2.155007034901295,3.49,3.49,3.49,3.49,3.49,3.49,3.49,3.49,3.49,3.49,3.49,3.14,3.1587764606034066,3.1764879438937847,3.1932081051010783,3.209004544006,3.2239389204752884,3.238066869972926,3.2514402501802913,3.2641072474904167,3.2761123770079896,3.2874964825493525,second
+270,7.55,90,3.475842193083168e+17,4.88,1.5851452198650557,133.2,Unknown,None,0,1.3455025570449588,0.8748675567159042,2.93,0.3909789575716913,0.2777983325534865,0.2270331493166196,0.19671154459948895,0.17604850137978906,0.1608035363361404,0.14881196078558662,0.13923634283041347,0.13136319043492287,0.12463308823289646,4.89,4.89,4.89,4.89,4.89,4.89,4.89,4.89,4.89,4.89,4.89,4.38,5.226340347476104,5.264067222482173,5.280988950227795,5.291096151800173,5.297983832873406,5.303065487887955,5.30706267973814,5.310254552389864,5.312878936521694,5.31512230392237,third
+273,11.73,95,3.1164028736642426e+17,4.77,1.5623463049002497,112.9,Branched,Acid,1,0.2070654879477398,0.14987897434047767,3.23,1.7047070366924693,1.6173221908647946,1.6086647110780026,1.6076310828716915,1.6068829323598652,1.6072693334885735,1.6076404016833483,1.6065039832511419,1.6085394872627317,1.6075956492485404,2.42,1.657353518346235,1.6136610954323973,1.6093323555390013,1.6088155414358458,1.6084414661799327,1.6086346667442868,1.608820200841674,1.608251991625571,1.609269743631366,1.6087978246242705,4.93,5.692646481653765,5.736338904567601,5.740667644460998,5.741184458564153,5.741558533820067,5.741365333255713,5.741179799158325,5.741748008374429,5.740730256368633,5.741202175375729,third
+270,8.42,92,4.6953813006276806e+17,2.19,0.7839015438284094,109.4,Branched,Acid,1,0.7456896390510805,0.3757656685125314,3.74,2.2393247172681847,2.2346698785650845,2.234924036796842,2.2341308758275087,2.2355781385234805,2.2344894891594445,2.2347228977967295,2.2343765407551324,2.2350221835143858,2.234774957018687,1.09,0.3396623586340923,0.3373349392825421,0.3374620183984211,0.33706543791375426,0.3377890692617402,0.3372447445797222,0.33736144889836467,0.33718827037756605,0.3375110917571928,0.33738747850934336,2.59,3.340337641365908,3.342665060717458,3.342537981601579,3.3429345620862456,3.34221093073826,3.3427552554202777,3.3426385511016354,3.3428117296224342,3.3424889082428075,3.342612521490657,third
+270,8.69,97,3.990926680222127e+17,1.5,0.4054651081081644,184.5,Unknown,None,1,0.06833102058350171,0.038750155111039984,2.88,2.720027057424454,2.5991706332636983,2.506256746436955,2.4342888778948013,2.378878726419129,2.335849464472309,2.3013195252581093,2.273690417904479,2.251788436337729,2.234359579193921,1.98,1.820027057424454,1.6991706332636984,1.6062567464369548,1.5342888778948014,1.4788787264191292,1.4358494644723094,1.4013195252581097,1.373690417904479,1.351788436337729,1.3343595791939211,4.11,4.269972942575547,4.390829366736302,4.483743253563046,4.555711122105199,4.6111212735808715,4.654150535527691,4.688680474741891,4.716309582095521,4.738211563662271,4.755640420806079,second
+271,3.03,98,4.9042391533448294e+17,3.71,1.3110318766193438,55.5,Linear,Enzyme,0,0.0631844198707134,0.03230938732226572,8.13,7.72926194329763,7.348276883070753,6.986070032586525,6.64170801213523,6.314319830871078,6.003075586529133,5.70718066323176,5.425875731488624,5.158436748196686,4.904174956640208,1.37,1.37,1.37,1.37,1.37,1.37,1.37,1.37,1.37,1.37,1.37,4.72,4.72,4.72,4.72,4.72,4.72,4.72,4.72,4.72,4.72,4.72,first
+278,11.12,91,4.155048236391516e+17,2.0,0.6931471805599453,61.2,Linear,Acid,0,3.3080279559715584,2.0438240697819356,3.49,0.2478341288552088,0.017640028785219947,0.0012542102839772505,8.913232676841598e-05,6.478826155216156e-06,3.3860723447648103e-07,-1.8051781502723766e-07,-3.449278866741438e-07,8.719115681845461e-07,2.7919973041633394e-07,1.73,1.73,1.73,1.73,1.73,1.73,1.73,1.73,1.73,1.73,1.73,4.45,4.45,4.45,4.45,4.45,4.45,4.45,4.45,4.45,4.45,4.45,first
+275,3.11,93,2.9334270749424704e+17,4.63,1.5325568680981427,190.4,Ring,Acid,0,0.633770127674045,0.39389766038811297,7.98,7.420000748797704,7.420001274098752,7.419999894554859,7.42000083231024,7.41999816688034,7.420002558820219,7.419999906119463,7.419999759152825,7.419999445127986,7.420000242675498,0.28,3.743988519149584e-07,6.370493757910286e-07,-5.272257068135401e-08,4.1615512005743134e-07,-9.165598301223607e-07,1.2794101089052694e-06,-4.694026883670157e-08,-1.2042358829269113e-07,-2.774360072764103e-07,1.213377486209474e-07,4.48,4.759999625601148,4.759999362950624,4.760000052722572,4.759999583844882,4.760000916559833,4.759998720589895,4.760000046940274,4.760000120423595,4.760000277436014,4.75999987866226,third
+276,6.34,90,8.0961844011251e+16,4.43,1.4883995840570443,159.6,Unknown,Base,0,0.7492563334921243,0.38168604570831516,3.45,1.8935820989807064,1.0403481940149328,0.5718359784170142,0.3139016242326136,0.17271391137891928,0.09480301505323153,0.05210112881762641,0.028654664083509473,0.015723082899202084,0.008651780599613329,3.9,3.9,3.9,3.9,3.9,3.9,3.9,3.9,3.9,3.9,3.9,3.56,3.56,3.56,3.56,3.56,3.56,3.56,3.56,3.56,3.56,3.56,first
+278,4.04,95,1.70795465092546e+17,2.61,0.959350221334602,134.0,Linear,None,0,0.24091549727385247,0.1657527769264756,5.97,0.9202947210404229,0.6551601236958104,0.535802302528249,0.4643943775818114,0.4157017988936062,0.3797520789115015,0.3514689922889178,0.3288783492002597,0.31029867773449404,0.2944136820616861,4.37,4.37,4.37,4.37,4.37,4.37,4.37,4.37,4.37,4.37,4.37,0.33,2.013235092986526,2.101613292101397,2.141399232490584,2.1652018741393966,2.181432733702132,2.1934159736961667,2.202843669237028,2.210373883599914,2.216567107421836,2.2218621059794383,third
+278,10.68,92,1.0807616332840805e+17,3.56,1.269760544863939,27.9,Linear,None,0,0.5582411482740574,0.29409747434818484,1.63,0.5730305625163102,0.4182238805986128,0.3453692090199316,0.30089623531625814,0.2699780451485305,0.24695438598490754,0.22916610219933883,0.21461248588031903,0.20248241020853955,0.1922012563026347,1.13,1.13,1.13,1.13,1.13,1.13,1.13,1.13,1.13,1.13,1.13,2.12,2.4723231458278967,2.5239253731337956,2.5482102636600223,2.5630345882279135,2.573340651617156,2.581015204671697,2.58694463260022,2.5917958380398933,2.595839196597153,2.5992662478991213,third
+272,12.89,99,1.432585730181182e+17,0.54,-0.616186139423817,98.0,Ring,Enzyme,1,0.013917502815110361,0.01023679596391761,7.22,7.174855190788136,7.130574360379115,7.087140974523152,7.04453881093035,7.002751954368655,6.961764816988972,6.921562099649856,6.882128786671712,6.843450145836788,6.805511728389186,3.21,3.21,3.21,3.21,3.21,3.21,3.21,3.21,3.21,3.21,3.21,4.25,4.295144809211863,4.339425639620885,4.382859025476848,4.42546118906965,4.467248045631345,4.508235183011028,4.548437900350143,4.587871213328288,4.626549854163212,4.664488271610813,first
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+277,4.71,98,3.177834605642003e+17,1.9,0.6418538861723947,193.1,Ring,None,1,0.10503607783298693,0.06407536570389423,8.19,2.737022629886469,2.3378457980707625,2.234789831595071,2.2033921688456006,2.193547573556426,2.190872629634989,2.1893853475298615,2.1894801063195075,2.189249089068559,2.189147360876127,3.94,1.213511314943235,1.013922899035382,0.9623949157975361,0.946696084422801,0.9417737867782137,0.9404363148174951,0.9396926737649314,0.9397400531597543,0.9396245445342802,0.9395736804380641,4.38,7.106488685056765,7.306077100964618,7.357605084202464,7.373303915577199,7.378226213221787,7.379563685182505,7.3803073262350685,7.380259946840246,7.380375455465719,7.380426319561936,third
+271,2.64,90,3.602855292145483e+17,2.9,1.0647107369924282,50.3,Branched,Enzyme,0,1.6170478302652702,0.852232841795271,8.06,6.766361735787784,5.472723471575568,4.179085207363351,2.8854469431511345,1.5918086789389188,0.2981704147266999,-0.9954678494855198,-2.289106113697735,-3.5827443779099557,-4.876382642122175,1.39,1.39,1.39,1.39,1.39,1.39,1.39,1.39,1.39,1.39,1.39,4.85,6.143638264212216,7.437276528424432,8.73091479263665,10.024553056848866,11.318191321061082,12.6118295852733,13.90546784948552,15.199106113697734,16.492744377909958,17.786382642122177,zero
+273,3.52,97,4.2492108814442106e+17,0.6,-0.5108256237659907,175.2,Linear,None,0,0.11697073870070666,0.06508003259047695,1.78,0.7487751734272076,0.4845254093843856,0.36024872652330886,0.287240071078574,0.23950571509897972,0.20525949657740694,0.1797283012468945,0.16006808785420473,0.1441752198441285,0.13115665712474664,4.5,3.9843875867136034,3.8522627046921922,3.790124363261654,3.7536200355392864,3.729752857549489,3.7126297482887027,3.699864150623447,3.6900340439271018,3.6820876099220636,3.6755783285623727,4.56,5.075612413286396,5.207737295307807,5.2698756367383455,5.306379964460713,5.33024714245051,5.347370251711297,5.360135849376554,5.369965956072898,5.377912390077936,5.384421671437627,third
+279,9.47,94,3.559980690251223e+17,1.94,0.6626879730752367,70.6,Linear,Base,1,0.8954563595481417,0.6354390233482764,7.81,1.311650402939156,1.31045187234183,1.3114857890279157,1.3127447137447235,1.311616353660792,1.3099389607120866,1.3099380195800827,1.3115750204488905,1.3127439008284985,1.311815106962839,4.74,1.4908252014695778,1.490225936170915,1.4907428945139578,1.4913723568723616,1.4908081768303958,1.489969480356043,1.489969009790041,1.490787510224445,1.4913719504142489,1.4909075534814191,0.36,3.6091747985304212,3.6097740638290845,3.6092571054860416,3.6086276431276376,3.609191823169603,3.610030519643956,3.6100309902099577,3.6092124897755533,3.6086280495857492,3.6090924465185785,third
+276,11.62,100,1.3933486868787146e+17,4.26,1.449269160281279,175.5,Unknown,None,0,0.016511330473832703,0.014844312262580478,8.81,8.69645874911811,8.596477198842216,8.508111607726041,8.42978293998119,8.36038707631526,8.298896209702173,8.244348541130925,8.195848279605583,8.152565642145285,8.113736853784248,1.04,0.9264587491181081,0.8264771988422155,0.7381116077260402,0.659782939981188,0.5903870763152581,0.5288962097021721,0.47434854113092445,0.425848279605582,0.3825656421452851,0.34373685378424634,2.5,2.613541250881892,2.7135228011577843,2.8018883922739595,2.8802170600188117,2.9496129236847417,3.0111037902978275,3.065651458869075,3.1141517203944176,3.1574343578547146,3.1962631462157534,second
+275,8.92,98,4.808996853695904e+17,0.97,-0.030459207484708574,65.9,Linear,None,0,0.11664226207134755,0.06088498686930588,3.01,2.2767787329455333,1.8189304166501308,1.5048332248416862,1.2776081839958462,1.1034695280596465,0.9675381373761683,0.8585315540731764,0.7682419631313872,0.6926987857002017,0.6286522361485498,3.39,2.6567787329455337,2.198930416650131,1.8848332248416864,1.6576081839958463,1.4834695280596466,1.3475381373761683,1.2385315540731765,1.1482419631313872,1.0726987857002017,1.00865223614855,3.27,4.0032212670544665,4.461069583349869,4.775166775158314,5.002391816004154,5.176530471940354,5.312461862623832,5.421468445926823,5.511758036868613,5.587301214299798,5.65134776385145,second
+270,13.18,93,3.10882636852539e+17,3.38,1.2178757094949273,47.0,Branched,Enzyme,0,0.3162387558698068,0.1947655428039792,8.37,6.499027646293753,5.046379712456114,3.9153395910098636,3.038710338959437,2.3623774139473075,1.836863681127505,1.425363206825477,1.1064184875443739,0.8600524168594523,0.6683788082864612,3.53,3.53,3.53,3.53,3.53,3.53,3.53,3.53,3.53,3.53,3.53,3.29,3.29,3.29,3.29,3.29,3.29,3.29,3.29,3.29,3.29,3.29,first
+276,2.05,90,3.7311519808015763e+17,1.03,0.02955880224154443,139.5,Ring,Acid,1,3.4529713187471023,2.0991305924807486,8.07,1.345054083294235,1.3447487456243217,1.3444610008212006,1.3441848481413095,1.3438563682092404,1.3436317794026156,1.3433476073524873,1.3431899756984866,1.3430049289215071,1.3441524410832828,4.11,4.11,4.11,4.11,4.11,4.11,4.11,4.11,4.11,4.11,4.11,1.75,3.991648638901922,3.9917504181252275,3.991846333059602,3.9919383839529,3.9920478772635897,3.992122740199132,3.9922174642158414,3.992270008100509,3.992331690359503,3.991949186305578,third
+278,3.87,95,2.1836627295612163e+17,4.76,1.5602476682433286,111.5,Linear,None,0,0.3080164874902045,0.22747779923801043,9.61,1.680552711325767,0.920406390433924,0.6340019999319649,0.4838500838656628,0.3905852984166317,0.32806907142067876,0.28236408710916483,0.24793908955212668,0.22122953074292495,0.19952618918557957,3.76,3.76,3.76,3.76,3.76,3.76,3.76,3.76,3.76,3.76,3.76,3.77,7.734723644337116,8.114796804783037,8.257999000034017,8.333074958067169,8.379707350791683,8.41096546428966,8.433817956445417,8.451030455223936,8.464385234628537,8.47523690540721,second
+279,10.46,97,7.101127384320217e+16,1.49,0.3987761199573678,170.7,Ring,Acid,0,0.04900506897609977,0.04059889263146127,5.67,3.7458311625691882,3.1542029347669502,2.851579792822561,2.666884962182946,2.5417412703560514,2.4530937030832867,2.386799550853092,2.33646854099685,2.297538398577803,2.2666368378983264,1.77,0.8079155812845943,0.5121014673834752,0.36078989641128056,0.268442481091473,0.20587063517802576,0.16154685154164333,0.12839977542654613,0.10323427049842519,0.08376919928890172,0.06831841894916318,4.46,5.422084418715405,5.717898532616525,5.8692101035887205,5.961557518908528,6.024129364821975,6.0684531484583575,6.101600224573454,6.126765729501575,6.146230800711099,6.161681581050838,third
+274,9.31,99,3.2615050292422886e+17,4.04,1.3962446919730587,124.9,Unknown,Base,0,0.04361506806943642,0.03665951687408566,9.55,3.9335781710495215,3.01805413241529,2.5858552230999274,2.3241641668997333,2.1433303938583834,2.0110591984354866,1.90873939070123,1.8264342447903994,1.7590889424081446,1.702722634699449,4.18,1.37178908552476,0.9140270662076443,0.6979276115499631,0.567082083449866,0.47666519692919107,0.4105295992177427,0.3593696953506144,0.3182171223951991,0.2845444712040717,0.25636131734972395,2.81,5.618210914475239,6.075972933792355,6.292072388450036,6.422917916550133,6.513334803070808,6.579470400782256,6.630630304649384,6.671782877604799,6.705455528795927,6.733638682650275,third
+274,9.93,97,1.9498651199050266e+17,1.43,0.3576744442718159,64.9,Unknown,Base,0,0.06273524345183776,0.03156039983967251,6.01,5.959811805238529,5.909623610477059,5.859435415715589,5.809247220954118,5.759059026192648,5.708870831431178,5.658682636669708,5.608494441908237,5.558306247146767,5.5081180523852975,2.11,2.11,2.11,2.11,2.11,2.11,2.11,2.11,2.11,2.11,2.11,0.74,0.7901881947614703,0.8403763895229405,0.8905645842844107,0.9407527790458808,0.990940973807351,1.0411291685688213,1.0913173633302915,1.1415055580917617,1.1916937528532319,1.241881947614702,zero
+279,10.61,99,1.9240422403993952e+17,1.53,0.4252677354043441,35.4,Branched,Acid,0,0.05606255883520379,0.04239361888926466,8.18,1.8798628131345771,1.3478062386943204,1.105192820766079,0.958933482398108,0.8591806281028472,0.7851478866874775,0.7269663673645138,0.6804927469907802,0.6421788271675999,0.6093523645569611,4.83,4.83,4.83,4.83,4.83,4.83,4.83,4.83,4.83,4.83,4.83,3.55,5.65004572895514,5.827397920435226,5.90826905974464,5.957022172533963,5.990273123965717,6.014950704437507,6.034344544211828,6.049835751003073,6.0626070576108,6.073549211814346,third
+279,13.19,90,2.3327708314420003e+17,3.06,1.1184149159642893,53.8,Ring,Acid,0,3.2913921907393235,2.617817107889167,9.08,0.6528689298159249,0.047031830236375374,0.0033929778015878423,0.0002441355168796507,1.76689213050303e-05,1.283705006512805e-06,-1.710400031285349e-08,-8.29084068833329e-08,5.342591665655755e-07,1.7129317209873986e-07,1.86,1.86,1.86,1.86,1.86,1.86,1.86,1.86,1.86,1.86,1.86,2.69,11.117131070184074,11.722968169763625,11.766607022198412,11.769755864483121,11.769982331078698,11.769998716294996,11.770000017104003,11.77000008290841,11.769999465740836,11.769999828706831,first
+270,8.3,95,8.610953510283507e+16,2.26,0.8153648132841944,179.8,Unknown,None,0,0.035936240126094594,0.031738915133004204,6.14,6.111251007899123,6.082502015798248,6.0537530236973724,6.025004031596497,5.996255039495621,5.967506047394745,5.93875705529387,5.910008063192994,5.881259071092118,5.8525100789912425,0.26,0.26,0.26,0.26,0.26,0.26,0.26,0.26,0.26,0.26,0.26,2.53,2.5587489921008753,2.587497984201751,2.6162469763026266,2.6449959684035025,2.673744960504378,2.702493952605254,2.7312429447061293,2.759991936807005,2.7887409289078806,2.8174899210087565,zero
+271,6.6,97,4.4303748976620243e+17,4.39,1.47932922708708,158.9,Unknown,Enzyme,1,0.08896794319128921,0.05838829267343603,5.55,5.3818258774143555,5.232354585925254,5.09949001521726,4.9812632355474555,4.876162792789019,4.782841059567234,4.7000282797443,4.626532568419339,4.5612399119283875,4.503114167844405,4.7,4.7,4.7,4.7,4.7,4.7,4.7,4.7,4.7,4.7,4.7,4.64,4.808174122585644,4.9576454140747455,5.09050998478274,5.208736764452544,5.31383720721098,5.407158940432765,5.489971720255699,5.56346743158066,5.628760088071612,5.686885832155594,first
+280,3.61,98,6.700783120814665e+16,4.25,1.4469189829363254,32.1,Linear,Enzyme,0,0.0349414772584595,0.01799780260832325,6.38,2.2840287127876646,1.6691504123902294,1.3790183061252916,1.201747127376882,1.07841912034417,0.9865602980746537,0.9155622256431424,0.857462340559161,0.8090348322100662,0.7679837526271336,4.13,4.13,4.13,4.13,4.13,4.13,4.13,4.13,4.13,4.13,4.13,2.55,3.9153237624041113,4.1202831958699235,4.216993897958236,4.2760842908743735,4.317193626551943,4.347813233975115,4.371479258118953,4.39084588648028,4.4069883892633115,4.420672082457623,third
+280,1.38,100,3.361407643696898e+17,3.46,1.2412685890696329,133.8,Ring,Base,0,0.07423673053920679,0.05896930678345229,8.92,6.3671703118781915,6.2342187018875235,6.22142572465681,6.220143594663923,6.220014452720674,6.220001239229004,6.219999856910328,6.2200001671261465,6.219999683355613,6.220000809580605,1.35,0.0735851559390959,0.007109350943761584,0.000712862328404936,7.179733196148649e-05,7.226360337442898e-06,6.196145020407616e-07,-7.154483567844192e-08,8.35630738702868e-08,-1.5832219307947924e-07,4.0479030325652763e-07,4.96,6.236414844060904,6.302890649056239,6.309287137671595,6.309928202668039,6.309992773639663,6.309999380385498,6.310000071544835,6.309999916436926,6.310000158322193,6.309999595209696,third
+272,6.99,98,4.6182718090806714e+17,1.13,0.12221763272424911,107.4,Unknown,Base,1,0.0698178129387857,0.06147884204364918,1.05,1.174302547457312,1.2654205309607383,1.3313602071872137,1.378264733135627,1.4102908092132844,1.4321553459887524,1.447923075754408,1.4587561237388533,1.4658901195740648,1.4707915375169915,3.6,3.6,3.6,3.6,3.6,3.6,3.6,3.6,3.6,3.6,3.6,2.71,2.647848726271344,2.6022897345196307,2.5693198964063932,2.5458676334321866,2.5298545953933576,2.518922327005624,2.511038462122796,2.5056219381305733,2.5020549402129677,2.4996042312415043,second
+280,8.07,95,4.1913223947620006e+17,1.21,0.1906203596086497,125.3,Linear,Acid,1,0.7929464127942514,0.5599494672800522,4.62,1.1642191563012794,1.164328801175437,1.1635939125943662,1.1654751624052944,1.163292840537221,1.1655587967687797,1.1631960658966596,1.1650752484092923,1.1634318893517772,1.1641104286331931,0.57,0.57,0.57,0.57,0.57,0.57,0.57,0.57,0.57,0.57,0.57,1.08,2.231926947899574,2.231890399608188,2.2321353624685445,2.231508279198235,2.2322357198209266,2.2314804010770732,2.2322679780344465,2.231641583863569,2.2321893702160747,2.2319631904556023,third
+280,10.63,96,2.7763620994153114e+17,3.94,1.3711807233098425,143.7,Unknown,Enzyme,0,0.3418297477768505,0.2795566127651336,6.07,4.503147450361306,4.142188705378958,4.0332364613153615,3.9977982137879584,3.9859866380024864,3.9820175201179553,3.9806802151350724,3.980229465403694,3.9800775537010478,3.9800261669861974,2.09,0.523147450361305,0.1621887053789571,0.05323646131536072,0.017798213787957838,0.005986638002486113,0.0020175201179549298,0.00068021513507185,0.0002294654036935264,7.755370104712899e-05,2.616698619671507e-05,0.73,2.296852549638695,2.6578112946210424,2.7667635386846388,2.8022017862120414,2.8140133619975134,2.8179824798820445,2.8193197848649274,2.819770534596306,2.819922446298952,2.8199738330138024,second
+278,1.74,100,2.5381190346884672e+17,1.01,0.009950330853168092,133.3,Ring,Acid,1,0.04115233808837867,0.022203583585466872,8.63,2.3215403921872007,1.8391499379642229,1.6734387429256847,1.6030992054390731,1.571753656965344,1.5558623101982798,1.5491167848760634,1.5451981144698885,1.543432908852908,1.5428882603173888,2.21,2.21,2.21,2.21,2.21,2.21,2.21,2.21,2.21,2.21,2.21,4.43,6.5328198692709325,6.693616687345259,6.748853752358105,6.772300264853643,6.782748781011552,6.788045896600574,6.790294405041313,6.791600628510037,6.792189030382364,6.792370579894204,third
+275,13.75,91,4.5637594692279686e+17,1.32,0.27763173659827955,51.6,Branched,Base,0,2.3647281839432006,1.960306794082973,7.67,5.778217452845439,3.886434905690879,1.9946523585363178,0.10286981138175744,-1.7889127357728025,-3.6806952829273634,-5.572477830081926,-7.464260377236485,-9.356042924391048,-11.247825471545605,3.98,3.98,3.98,3.98,3.98,3.98,3.98,3.98,3.98,3.98,3.98,2.06,3.9517825471545605,5.843565094309121,7.735347641463683,9.627130188618242,11.518912735772803,13.410695282927364,15.302477830081926,17.194260377236485,19.086042924391048,20.977825471545607,zero
+276,4.9,98,2.237588787593498e+17,0.9,-0.10536051565782628,131.8,Ring,Enzyme,0,0.06339107099202429,0.0496416764063124,5.24,4.430708463663398,3.8762609185193266,3.472655111326467,3.1695843232646026,2.931471162308013,2.7395754525916174,2.5836177352845366,2.454647408992792,2.3455749655568625,2.2525642896801523,3.74,2.9307084636633984,2.3762609185193266,1.9726551113264672,1.6695843232646026,1.431471162308013,1.2395754525916176,1.0836177352845369,0.9546474089927922,0.8455749655568622,0.752564289680152,4.17,4.979291536336602,5.5337390814806735,5.9373448886735325,6.240415676735397,6.478528837691988,6.670424547408383,6.8263822647154635,6.955352591007208,7.064425034443139,7.157435710319849,second
+270,2.45,97,4.623923773853606e+17,3.8,1.33500106673234,140.5,Unknown,Acid,1,0.07916893891675006,0.04599843553666967,3.84,1.6784449576920475,1.42464040538087,1.3512373091089658,1.3267629612634206,1.3176413621405096,1.314504585161976,1.3132688266457047,1.3130685493821965,1.3127399678890845,1.3127303657074874,0.4,0.4,0.4,0.4,0.4,0.4,0.4,0.4,0.4,0.4,0.4,3.05,3.770518347435983,3.8551198648730423,3.879587563630344,3.8877456795788587,3.890786212619829,3.891831804946007,3.892243724451431,3.8923104835392666,3.8924200107036375,3.8924232114308364,third
+270,11.1,90,1.725311393099167e+17,3.39,1.220829921392359,83.3,Unknown,None,1,0.6678700476486746,0.37849406749136,6.59,2.005648662966798,1.9811031427752046,1.9804682452236808,1.982715626973767,1.9810627650697137,1.9797553227587634,1.9830550570119505,1.9798439872580866,1.9806110858752044,1.9835347641579097,0.25,0.25,0.25,0.25,0.25,0.25,0.25,0.25,0.25,0.25,0.25,4.62,6.912175668516602,6.924448428612398,6.92476587738816,6.923642186513117,6.924468617465143,6.925122338620618,6.923472471494025,6.925078006370956,6.9246944570623965,6.923232617921044,second
+273,10.86,100,1.6653990422067274e+17,3.91,1.3635373739972745,131.3,Branched,Enzyme,1,0.012225299113107047,0.006524312803108687,6.67,5.958985382999544,5.5532902899160215,5.289172390851998,5.108194447742765,4.978299985773641,4.883553866417892,4.812028677062767,4.757480751862905,4.715841883662803,4.683565425764495,1.15,0.794492691499772,0.5916451449580105,0.45958619542599866,0.3690972238713819,0.3041499928868201,0.25677693320894546,0.2210143385313832,0.19374037593145213,0.17292094183140067,0.15678271288224666,2.71,3.065507308500228,3.268354855041989,3.400413804574001,3.4909027761286175,3.5558500071131793,3.603223066791054,3.6389856614686162,3.666259624068547,3.6870790581685986,3.703217287117752,third
+273,8.28,92,3.321442454323065e+17,1.31,0.2700271372130602,160.4,Ring,Acid,0,0.8275773976876872,0.6556373786175945,4.41,0.34345856814810977,0.1921362455430145,0.13442665509620527,0.10357312990785608,0.08446020839966903,0.0712698721196096,0.061769353172337,0.05445212457406291,0.048696211510009454,0.0440497379939026,3.82,1.7867292840740547,1.7110681227715072,1.6822133275481026,1.666786564953928,1.6572301041998345,1.6506349360598047,1.6458846765861685,1.6422260622870315,1.6393481057550048,1.6370248689969513,4.82,6.853270715925945,6.928931877228494,6.957786672451898,6.973213435046073,6.982769895800167,6.9893650639401965,6.9941153234138325,6.99777393771297,7.000651894244997,7.0029751310030495,third
+271,12.01,100,3.8030799870971475e+17,1.28,0.2468600779315258,104.3,Ring,Acid,1,0.020168072813444883,0.010802999073128138,3.83,3.8086576703934987,3.7878376394647946,3.767527127138615,3.7477136618761318,3.728385069205047,3.709529493926421,3.691135371092185,3.6731914061074673,3.6556865747305918,3.6386101230730787,1.86,1.86,1.86,1.86,1.86,1.86,1.86,1.86,1.86,1.86,1.86,4.65,4.671342329606501,4.692162360535206,4.712472872861386,4.732286338123869,4.751614930794954,4.77047050607358,4.788864628907815,4.806808593892533,4.824313425269409,4.841389876926922,first
+279,1.94,93,1.0383922322722342e+17,2.69,0.9895411936137477,148.7,Linear,Enzyme,0,0.401962841270016,0.2986557068387584,1.47,0.6477027524812019,0.48206822515783226,0.40067808954680034,0.35054316639870664,0.31508508468425617,0.2887910361614373,0.2682484229490945,0.2513614476263351,0.2373196282744475,0.22539403856128984,4.78,4.78,4.78,4.78,4.78,4.78,4.78,4.78,4.78,4.78,4.78,4.65,4.924099082506267,4.979310591614056,5.006440636817733,5.023152277867098,5.034971638438581,5.043736321279521,5.050583859016968,5.056212850791222,5.060893457241851,5.064868653812903,third
+275,9.78,93,1.003203769788524e+17,3.79,1.332366019094335,39.2,Linear,Base,0,0.2167432716132632,0.1177663316991757,3.63,0.9481214950772306,0.6820433113743675,0.5602700913199454,0.4869411579023545,0.4360928991826407,0.39856541335673595,0.36956484353801256,0.345826921388193,0.3261385319161642,0.30946966904931666,2.4,2.4,2.4,2.4,2.4,2.4,2.4,2.4,2.4,2.4,2.4,2.8,3.6939595016409235,3.782652229541878,3.8232433028933523,3.847686280699216,3.864635700272454,3.877144862214422,3.8868117188206632,3.89472435953727,3.901287156027946,3.906843443650229,third
+277,1.18,93,3.451782249462427e+17,4.72,1.5518087995974639,37.5,Ring,Acid,0,1.000341275713888,0.5060458352007192,4.27,3.4697269794288887,2.6694539588577784,1.869180938286668,1.0689079177155574,0.2686348971444463,-0.5316381234266649,-1.3319111439977749,-2.1321841645688857,-2.9324571851399983,-3.7327302057111074,4.9,4.9,4.9,4.9,4.9,4.9,4.9,4.9,4.9,4.9,4.9,4.22,5.020273020571111,5.8205460411422205,6.620819061713331,7.421092082284441,8.221365102855552,9.021638123426664,9.821911143997774,10.622184164568885,11.422457185139997,12.222730205711105,zero
+271,10.68,95,1.21058909469931e+17,0.63,-0.4620354595965587,39.0,Unknown,None,1,0.05906078992448631,0.04099971294266131,3.2,3.0944143672424276,2.9969513986214102,2.906978785477866,2.823909759215743,2.7472342570231767,2.676472522001801,2.611171956178529,2.5509071205055482,2.4952797348603246,2.4439186780455993,4.89,4.89,4.89,4.89,4.89,4.89,4.89,4.89,4.89,4.89,4.89,1.26,1.3655856327575726,1.4630486013785897,1.5530212145221343,1.6360902407842568,1.7127657429768235,1.783527477998199,1.848828043821471,1.9090928794944515,1.9647202651396753,2.0160813219544007,first
+272,11.73,95,4.3892120383729766e+17,1.76,0.5653138090500605,181.7,Ring,None,1,0.25004114148907214,0.17223624037189678,7.42,6.18384785043938,5.301301413899847,4.673215903667313,4.224299349525882,3.903882795299664,3.67663242587404,3.513261734285325,3.396642957591172,3.314600804409576,3.2557470764574563,1.11,1.11,1.11,1.11,1.11,1.11,1.11,1.11,1.11,1.11,1.11,0.2,1.4361521495606195,2.318698586100153,2.946784096332687,3.3957006504741174,3.7161172047003355,3.9433675741259595,4.106738265714675,4.223357042408828,4.305399195590423,4.364252923542543,first
+277,5.85,92,1.7523876168832387e+17,1.98,0.6830968447064438,62.9,Unknown,None,0,0.783997164017634,0.44639137312251337,1.48,0.7900800102421222,0.4221169290126905,0.22578033523361468,0.1204951074181348,0.06444458282297329,0.03445558874593181,0.018391903050389,0.009840387723938766,0.005257663016668946,0.002810720200253932,3.05,3.05,3.05,3.05,3.05,3.05,3.05,3.05,3.05,3.05,3.05,2.39,3.079919989757878,3.44788307098731,3.6442196647663856,3.7495048925818657,3.805555417177027,3.8355444112540686,3.8516080969496116,3.8601596122760617,3.8647423369833316,3.8671892797997467,first
+274,1.97,96,7.895085680925507e+16,2.69,0.9895411936137477,83.1,Ring,Acid,1,0.039401079643957455,0.028737062322315047,2.03,1.7059988881772878,1.5727442963001557,1.5064325887069439,1.4716445604694386,1.4542451123221454,1.4439248268863558,1.4388598630038034,1.4361742723715698,1.4344255660917389,1.4335104847140363,3.7,3.7,3.7,3.7,3.7,3.7,3.7,3.7,3.7,3.7,3.7,3.83,3.938000370607571,3.9824185678999484,4.004522470431018,4.01611847984352,4.021918295892618,4.025358391037882,4.027046712332066,4.027941909209477,4.028524811302754,4.0288298384286545,third
+278,6.32,96,3.357899881607959e+17,4.02,1.3912819026309295,24.4,Branched,Base,1,0.3072946298536172,0.1684224854555084,9.3,1.382405222470633,1.368720329213261,1.3671962244914888,1.3674561516728878,1.3686976483701918,1.3697523907731508,1.3679817094556173,1.3675448548210116,1.369429686934305,1.3691141558505953,2.81,2.81,2.81,2.81,2.81,2.81,2.81,2.81,2.81,2.81,2.81,2.03,4.669198259176457,4.673759890262248,4.674267925169506,4.674181282775706,4.673767450543271,4.673415869742286,4.67400609684813,4.674151715059665,4.673523437688567,4.6736286147164705,third
+277,5.22,97,2.5178918294242906e+17,2.47,0.9042181506398859,119.5,Linear,Enzyme,0,0.12847652846471916,0.09533585316373339,9.92,8.951057387333842,8.076676715749954,7.286971309036095,6.574214197021593,5.931459118034293,5.352128189239274,4.830011906638858,4.359269145072609,3.9344271582173294,3.5504222569782207,3.05,3.05,3.05,3.05,3.05,3.05,3.05,3.05,3.05,3.05,3.05,1.92,2.888942612666158,3.763323284250046,4.553028690963906,5.265785802978407,5.908540881965708,6.487871810760727,7.009988093361143,7.4807308549273905,7.905572841782671,8.289577743021779,first
+280,13.15,98,9.172999257833597e+16,1.13,0.12221763272424911,103.4,Ring,None,0,0.047832938207451,0.04108448777281599,5.89,5.668869109949279,5.456040243751849,5.251200394738473,5.054049580340273,4.864301310238546,4.6816785392533955,4.505913632229798,4.336748364037606,4.17393391957155,4.017230893751234,1.76,1.76,1.76,1.76,1.76,1.76,1.76,1.76,1.76,1.76,1.76,1.46,1.6811308900507203,1.8939597562481507,2.0987996052615263,2.2959504196597265,2.485698689761453,2.668321460746604,2.8440863677702017,3.0132516359623933,3.1760660804284493,3.3327691062487657,first
+280,13.53,93,3.0761956657136634e+17,1.01,0.009950330853168092,156.2,Branched,Enzyme,1,1.3741203575608307,0.9428841391297185,4.14,3.4156056179146868,3.3008351610734596,3.2830378447116892,3.2802177425282086,3.2806184280783937,3.2788642682057203,3.2814933287997037,3.278108503262606,3.2824962045002586,3.280407244223726,1.42,1.42,1.42,1.42,1.42,1.42,1.42,1.42,1.42,1.42,1.42,3.92,4.644394382085313,4.75916483892654,4.77696215528831,4.779782257471791,4.779381571921606,4.781135731794279,4.778506671200296,4.781891496737394,4.777503795499741,4.779592755776274,first
+279,11.57,93,4.06022861402059e+17,4.36,1.472472057360943,40.3,Unknown,Enzyme,0,1.5717192205167227,0.9432841037537474,3.67,2.4126246235866207,1.1552492471732432,-0.1021261292401352,-1.3595015056535136,-2.6168768820668924,-3.8742522584802734,-5.131627634893652,-6.389003011307032,-7.646378387720413,-8.903753764133794,4.18,4.18,4.18,4.18,4.18,4.18,4.18,4.18,4.18,4.18,4.18,3.24,4.4973753764133795,5.754750752826757,7.012126129240135,8.269501505653514,9.526876882066894,10.784252258480274,12.041627634893652,13.299003011307033,14.556378387720413,15.813753764133795,zero
+280,11.35,91,1.863862370801402e+17,4.28,1.4539530095937054,151.3,Linear,Base,0,1.9658152746139703,1.3054267693392299,4.46,1.0803976684400942,0.9005695902477002,0.8627532105531186,0.853316630330303,0.8508715025594813,0.8502288556011398,0.8500600668762925,0.8500157588262064,0.8500043045227154,0.8500012091236813,3.61,0.23039766844009393,0.05056959024770009,0.012753210553118323,0.003316630330302735,0.0008715025594810493,0.00022885560113959001,6.006687629229991e-05,1.5758826206136926e-05,4.304522715066108e-06,1.2091236810322269e-06,2.43,5.809602331559905,5.989430409752298,6.02724678944688,6.036683369669696,6.039128497440517,6.039771144398858,6.039939933123706,6.0399842411737925,6.039995695477284,6.039998790876318,second
+273,8.12,93,7.293018778270272e+16,3.38,1.2178757094949273,76.6,Branched,None,1,0.11696249720767128,0.07354060084986375,1.15,1.1942553021059275,1.2322535062465971,1.2648881961529235,1.293014924087285,1.3171916312786063,1.337884713610901,1.3555474704802515,1.370620104794806,1.3835297229747812,1.3946903349524615,1.08,1.08,1.08,1.08,1.08,1.08,1.08,1.08,1.08,1.08,1.08,2.64,2.595744697894073,2.5577464937534033,2.525111803847077,2.4969850759127152,2.472808368721394,2.452115286389099,2.4344525295197488,2.4193798952051946,2.406470277025219,2.395309665047539,first
+274,3.72,93,1.5122831398787213e+17,2.0,0.6931471805599453,73.0,Branched,Enzyme,1,0.2816548005092261,0.21785401854205858,8.06,8.014057019715942,8.014022125733229,8.014061982077571,8.01402219577274,8.014052319426277,8.014018030592782,8.014042856779037,8.014032980822005,8.014030398340736,8.014088978525779,0.04,0.017028509857971278,0.017011062866614347,0.01703099103878612,0.01701109788637211,0.017026159713139963,0.017009015296390866,0.017021428389519744,0.01701649041100326,0.017015199170369096,0.01704448926288865,1.39,1.4129714901420287,1.412988937133386,1.412969008961214,1.412988902113628,1.4129738402868601,1.4129909847036093,1.4129785716104801,1.4129835095889969,1.4129848008296308,1.4129555107371115,third
+272,11.13,94,2.849376898824253e+17,2.74,1.007957920399979,129.1,Ring,Base,1,0.2525927398755407,0.16370323432587014,3.26,2.872320712519375,2.5944868200411624,2.394590914043666,2.252292183831575,2.150872045925647,2.077057621473945,2.0243546882730774,1.9871466004814522,1.9601938997485964,1.9407292657776765,3.86,3.86,3.86,3.86,3.86,3.86,3.86,3.86,3.86,3.86,3.86,1.55,1.937679287480625,2.2155131799588377,2.415409085956334,2.557707816168425,2.659127954074353,2.732942378526055,2.7856453117269226,2.822853399518548,2.8498061002514037,2.8692707342223236,first
+276,8.15,92,3.230280699165683e+17,4.24,1.4445632692438664,132.7,Linear,Base,1,1.250445417041523,0.7905362028527891,4.46,2.5211486104977046,2.503831114655762,2.504142130376353,2.5062115525611075,2.503652014947817,2.5039967319842984,2.5058047253047144,2.5037326428830147,2.50372255513826,2.504317952559967,3.18,1.2411486104977052,1.2238311146557626,1.2241421303763533,1.2262115525611081,1.2236520149478174,1.2239967319842988,1.2258047253047148,1.2237326428830153,1.2237225551382611,1.2243179525599677,2.89,4.828851389502295,4.8461688853442375,4.8458578696236465,4.843788447438891,4.846347985052183,4.846003268015702,4.844195274695286,4.846267357116986,4.84627744486174,4.845682047440033,second
+271,6.31,91,8.730620849745142e+16,3.7,1.308332819650179,160.6,Ring,None,0,0.25140068952608424,0.18661335049361705,3.8,2.122553192041287,1.4628459597750065,1.1115868742295123,0.891890591669978,0.7431258619037424,0.6342587524792913,0.5522794560366655,0.4879993054187408,0.43592421083231814,0.39312624326308465,3.9,2.2225531920412873,1.562845959775007,1.2115868742295128,0.9918905916699785,0.843125861903743,0.7342587524792918,0.652279456036666,0.5879993054187413,0.5359242108323187,0.4931262432630852,1.14,2.8174468079587127,3.477154040224993,3.828413125770487,4.048109408330022,4.196874138096257,4.305741247520709,4.387720543963335,4.452000694581259,4.504075789167682,4.5468737567369155,second
+276,1.65,94,1.6301209779729306e+17,2.47,0.9042181506398859,103.7,Ring,None,1,0.26394823252169325,0.219675350726628,3.09,2.22499882555901,2.121848133476386,2.1072639340102888,2.105475712381946,2.1046854815365514,2.1038323549068845,2.104778841689567,2.105019759375237,2.1059589290362957,2.105246287439598,3.99,3.99,3.99,3.99,3.99,3.99,3.99,3.99,3.99,3.99,3.99,4.83,5.262500587220496,5.314075933261807,5.321368032994855,5.322262143809027,5.3226572592317245,5.3230838225465575,5.322610579155217,5.322490120312382,5.322020535481852,5.322376856280201,second
+271,4.16,90,3.1473425592574566e+17,0.79,-0.23572233352106983,156.4,Ring,Acid,0,1.4126027952452394,1.203242228995375,1.39,0.44966110401655746,0.14537606536905442,0.04698252718277008,0.015185882982602436,0.004910795328618451,0.0015889198895877327,0.0005142969602971046,0.00016652561657107056,5.3926956333551736e-05,1.7498096594602953e-05,2.43,2.43,2.43,2.43,2.43,2.43,2.43,2.43,2.43,2.43,2.43,0.71,0.71,0.71,0.71,0.71,0.71,0.71,0.71,0.71,0.71,0.71,first
+279,9.8,92,3.7784098836924915e+17,3.59,1.2781522025001875,149.9,Linear,Acid,0,2.250926111014847,1.9789381870626177,4.39,3.571084735345807,3.57000168604,3.570000349273352,3.5699998083135536,3.5699995194111844,3.5699990835372577,3.5699995204511628,3.569999091454693,3.5699996989725884,3.570000327656972,0.82,0.0010847353458066638,1.686039999837732e-06,3.4927335154065375e-07,-1.916864474192744e-07,-4.805888167751245e-07,-9.164627435793372e-07,-4.795488380046237e-07,-9.085453082087355e-07,-3.0102741284001303e-07,3.2765697080461103e-07,1.05,1.8689152646541938,1.8699983139600005,1.8699996507266488,1.8700001916864477,1.8700004805888173,1.870000916462744,1.8700004795488385,1.8700009085453086,1.8700003010274133,1.8699996723430297,second
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+274,12.83,96,1.7836750776097843e+17,2.5,0.9162907318741551,64.2,Ring,None,1,0.0890157835292886,0.07016600769233065,3.71,3.526231925579092,3.3644381415047144,3.2217887221401087,3.0959681974441406,2.985268176742641,2.8880532243479142,2.802757783516734,2.7278861764503426,2.6620126042944543,2.6037811471392516,1.04,1.04,1.04,1.04,1.04,1.04,1.04,1.04,1.04,1.04,1.04,1.22,1.4037680744209078,1.5655618584952855,1.7082112778598908,1.834031802555859,1.9447318232573585,2.0419467756520855,2.127242216483266,2.202113823549657,2.2679873957055454,2.326218852860748,first
+275,3.35,92,3.4871683147328557e+17,3.56,1.269760544863939,164.5,Unknown,Base,0,1.1667569181778075,1.0444293450488142,1.15,0.45229401482741105,0.17804378900107592,0.07005838780482042,0.027569920971182577,0.010849839255025128,0.004269957288477902,0.0016804820908368273,0.0006614035933440506,0.00026041060887834383,0.00010284558499881333,3.76,3.76,3.76,3.76,3.76,3.76,3.76,3.76,3.76,3.76,3.76,2.51,3.2077059851725886,3.4819562109989244,3.5899416121951795,3.6324300790288175,3.649150160744975,3.655730042711522,3.658319517909163,3.659338596406656,3.6597395893911218,3.659897154415001,first
+270,9.38,99,2.2098405392777338e+17,4.89,1.5871923034867805,120.7,Ring,Base,0,0.015522721322382612,0.008529454908524659,5.61,4.923891864467578,4.387449082109534,3.954752143832593,3.600226550266175,3.307349768355648,3.060959317208514,2.8472432697264973,2.6591848380323073,2.4944561807710923,2.3489380354956833,1.05,1.05,1.05,1.05,1.05,1.05,1.05,1.05,1.05,1.05,1.05,3.33,3.6730540677662114,3.941275458945233,4.157623928083703,4.334886724866913,4.481325115822177,4.604520341395743,4.711378365136752,4.805407580983847,4.887771909614454,4.960530982252159,second
+276,10.06,91,1.022349586676691e+17,3.27,1.184789984909162,149.6,Linear,Acid,0,0.6119087730855981,0.4000934079815437,7.1,0.8951532031723346,0.4781905160848752,0.32617606858964127,0.24740175467784953,0.19923900125648697,0.16687185663343362,0.14354632447122276,0.12582387307413861,0.11212837123103694,0.10113048163260359,3.74,3.74,3.74,3.74,3.74,3.74,3.74,3.74,3.74,3.74,3.74,2.42,5.522423398413833,5.730904741957563,5.806911965705179,5.846299122661075,5.870380499371757,5.886564071683283,5.89822683776439,5.907088063462932,5.913935814384482,5.919434759183699,second
+272,9.87,93,2.962573651322763e+17,1.8,0.5877866649021191,25.4,Linear,Enzyme,1,0.40868262507346603,0.25250075479255296,5.6,1.6888977591593077,1.4762571467740668,1.4520170174630112,1.4489184937877282,1.4482354494781111,1.4486246770676574,1.4475872060516723,1.4495554309149596,1.449046876706187,1.4488139694154882,3.68,3.68,3.68,3.68,3.68,3.68,3.68,3.68,3.68,3.68,3.68,1.32,3.275551120420346,3.381871426612966,3.3939914912684936,3.3955407531061352,3.3958822752609437,3.39568766146617,3.3962063969741627,3.3952222845425193,3.3954765616469054,3.3955930152922553,second
+271,1.91,90,3.474211604059363e+17,1.7,0.5306282510621704,133.8,Ring,None,0,1.5593094589378151,1.3627953539679505,1.35,0.38829543207330536,0.11154598200594296,0.03208187729941777,0.009238703722977023,0.002655739221210917,0.0007630359285411359,0.00021944356895738678,6.314296076221963e-05,1.8084221123944755e-05,5.3598414885618866e-06,1.15,1.15,1.15,1.15,1.15,1.15,1.15,1.15,1.15,1.15,1.15,3.24,4.2017045679266944,4.478454017994057,4.557918122700582,4.580761296277022,4.587344260778789,4.589236964071459,4.589780556431043,4.5899368570392385,4.589981915778877,4.589994640158512,first
+278,12.67,96,4.8804915262097894e+17,1.14,0.131028262406404,110.5,Ring,Base,0,0.44663298190182643,0.27200703489941197,3.96,0.6739919403566506,0.48025716957131603,0.39298818331625296,0.34102312482281993,0.3050216669281539,0.27876249210891396,0.2581774554540897,0.24148910053639436,0.22770865678514512,0.21604076271997422,3.45,3.45,3.45,3.45,3.45,3.45,3.45,3.45,3.45,3.45,3.45,0.18,1.2753360198811163,1.339914276809561,1.3690039388945823,1.3863256250590597,1.3983261110239484,1.4070791692970284,1.4139408481819697,1.419503633154535,1.4240971144049512,1.427986412426675,third
+278,7.4,99,4.447036086221923e+17,1.25,0.22314355131420976,74.2,Branched,Enzyme,0,0.11113589647968489,0.08798827782117571,7.73,1.7919557041554721,1.1875304979145966,0.9162737325496653,0.7566473947803328,0.64907638932612,0.5712693848662805,0.5111127057895817,0.4637742340576482,0.42537960040128076,0.39306003031248343,4.75,1.7809778520777368,1.478765248957299,1.3431368662748333,1.263323697390167,1.2095381946630606,1.1706346924331408,1.1405563528947915,1.1168871170288246,1.097689800200641,1.0815300151562421,1.64,4.609022147922264,4.911234751042701,5.046863133725168,5.126676302609834,5.1804618053369405,5.21936530756686,5.24944364710521,5.273112882971176,5.29231019979936,5.308469984843758,third
+270,6.44,99,4.737124434732213e+16,2.21,0.7929925155296614,98.5,Linear,Enzyme,1,0.0033275279895910955,0.002566884048204638,6.39,6.1934690326762585,6.009863159010816,5.837993756730321,5.676798899246351,5.5253788253876275,5.3829252498584355,5.248699825170615,5.122034141643571,5.0023297274042635,4.889058048387217,1.62,1.62,1.62,1.62,1.62,1.62,1.62,1.62,1.62,1.62,1.62,3.4,3.4982654836618705,3.5900684204945916,3.676003121634839,3.7566005503768243,3.832310587306186,3.903537375070782,3.9706500874146924,4.033982929178214,4.0938351362978675,4.150470975806392,second
+279,1.63,90,3.710700925607547e+17,1.4,0.3364722366212129,124.1,Unknown,Base,0,5.235564455838198,2.6787639990744245,9.38,0.32666599872780433,0.2257288771886095,0.18111631118141974,0.15468140100363645,0.13650315528107165,0.12324937782162326,0.11292036445242548,0.10457543731444982,0.09770118128497109,0.0918946584373315,4.72,0.1933329993639016,0.1428644385943042,0.12055815559070931,0.10734070050181767,0.09825157764053527,0.09162468891081108,0.08646018222621218,0.08228771865722435,0.07885059064248498,0.07594732921866519,3.71,8.236667000636098,8.287135561405696,8.30944184440929,8.322659299498183,8.331748422359466,8.33837531108919,8.343539817773788,8.347712281342776,8.351149409357514,8.354052670781336,third
+278,4.83,99,4.698579317827199e+17,4.29,1.4562867329399256,95.0,Linear,Enzyme,1,0.11742221437902974,0.06520122913626972,4.3,3.7397561818376666,3.419993291420302,3.224113784656701,3.0998332756522635,3.0188338103463224,2.96582173198413,2.9298461250766747,2.905987182750054,2.8900148539834385,2.878980721851009,2.12,1.5597561818376673,1.2399932914203025,1.0441137846567017,0.9198332756522644,0.8388338103463232,0.7858217319841309,0.7498461250766758,0.7259871827500546,0.7100148539834393,0.69898072185101,2.03,2.5902438181623326,2.9100067085796972,3.1058862153432982,3.2301667243477357,3.311166189653677,3.3641782680158694,3.4001538749233244,3.4240128172499453,3.4399851460165607,3.45101927814899,second
+271,3.17,91,2.5754483260971968e+17,0.81,-0.21072103131565253,132.2,Branched,Acid,0,0.7416076086256055,0.6643824744565554,9.93,5.483799563204789,3.031215373244587,1.6762230908382256,0.9258646555840293,0.5125639887273761,0.28302624128854387,0.15653640148784476,0.08659236130122017,0.047814675291768916,0.026472160062284443,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,0.48,0.48,0.48,0.48,0.48,0.48,0.48,0.48,0.48,0.48,0.48,first
+271,12.92,100,4.883809353196134e+17,4.96,1.601405740736836,144.0,Branched,Enzyme,0,0.025899277158623363,0.020237312580844616,3.36,3.3392805782731014,3.3185611565462025,3.2978417348193036,3.277122313092405,3.2564028913655068,3.235683469638608,3.2149640479117094,3.1942446261848105,3.1735252044579116,3.152805782731013,1.42,1.42,1.42,1.42,1.42,1.42,1.42,1.42,1.42,1.42,1.42,3.91,3.9307194217268986,3.9514388434537975,3.9721582651806964,3.992877686907595,4.013597108634493,4.034316530361392,4.055035952088291,4.0757553738151895,4.096474795542088,4.117194217268987,zero
+277,10.18,96,4.260778379739062e+17,4.24,1.4445632692438664,78.4,Branched,Enzyme,1,0.3356256840987431,0.16832397823426506,1.98,1.0537361628591373,0.8189434418711757,0.7356269000548223,0.7025518634097845,0.689135545171416,0.6835663267697668,0.6811086183137411,0.6801269673077776,0.6797998846540384,0.679557322922352,1.11,1.11,1.11,1.11,1.11,1.11,1.11,1.11,1.11,1.11,1.11,0.27,0.7331319185704314,0.8505282790644122,0.8921865499725888,0.9087240682951078,0.915432227414292,0.9182168366151165,0.9194456908431294,0.9199365163461113,0.9201000576729809,0.920221338538824,second
+276,12.03,92,9.207620605831678e+16,1.19,0.17395330712343798,118.7,Ring,None,0,0.3564280649478249,0.2283039530140623,4.45,3.3459487833768238,2.5157224252206505,1.8900455052449825,1.4215103664418545,1.070501444242277,0.804567737917695,0.6047273187876206,0.45526940183554354,0.34252031367786545,0.25754557925079224,1.91,1.91,1.91,1.91,1.91,1.91,1.91,1.91,1.91,1.91,1.91,4.45,5.554051216623177,6.38427757477935,7.009954494755018,7.478489633558146,7.8294985557577235,8.095432262082305,8.29527268121238,8.444730598164456,8.557479686322134,8.642454420749207,first
+280,2.45,90,4.532803063597396e+17,0.88,-0.12783337150988489,172.8,Branched,None,1,7.346064528494203,3.966833426431138,2.46,1.420470289827686,1.420360013372675,1.4202885895710553,1.4202192262162794,1.4201520130396197,1.4200870338025264,1.4200243666178558,1.4199640842429553,1.4199062543465937,1.4215599353116057,2.07,2.07,2.07,2.07,2.07,2.07,2.07,2.07,2.07,2.07,2.07,3.22,3.739764855086157,3.7398199933136627,3.739855705214472,3.7398903868918603,3.7399239934801902,3.739956483098736,3.739987816691071,3.740017957878521,3.7400468728267016,3.7392200323441944,second
+275,13.54,98,1.3620839974220216e+17,2.31,0.8372475245337022,180.5,Branched,Acid,1,0.03303735964567854,0.02026837202809501,6.62,6.438129352807625,6.292687024094237,6.1751419244841586,6.079688390226738,6.002441080573299,5.9397649776269015,5.8882521699968144,5.845191510005923,5.809599151865961,5.780166355895575,1.57,1.388129352807625,1.2426870240942363,1.1251419244841578,1.0296883902267377,0.9524410805732986,0.8897649776269012,0.8382521699968138,0.7951915100059215,0.7595991518659599,0.730166355895574,4.39,4.571870647192375,4.717312975905763,4.834858075515841,4.930311609773262,5.0075589194267005,5.070235022373098,5.121747830003185,5.164808489994077,5.200400848134039,5.229833644104425,second
+279,7.36,97,2.5139833719542195e+17,1.78,0.5766133643039938,184.6,Unknown,Enzyme,0,0.1734906612426275,0.11329047130766959,9.27,7.291462737215622,6.6973408529951985,6.477772902558398,6.390605910364667,6.3550507389353585,6.34038895212882,6.334315120950704,6.331793782414029,6.330746127033114,6.330310639100048,2.94,0.9614627372156226,0.3673408529951981,0.1477729025583975,0.06060591036466756,0.025050738935358686,0.010388952128820792,0.004315120950704698,0.0017937824140300176,0.0007461270331152782,0.0003106391000498409,0.98,2.9585372627843776,3.552659147004802,3.7722270974416023,3.859394089635332,3.894949261064641,3.9096110478711785,3.915684879049295,3.9182062175859693,3.9192538729668844,3.9196893608999495,second
+280,1.67,95,4.365141128698539e+17,4.88,1.5851452198650557,98.9,Ring,Acid,0,0.8258307697035802,0.4254821154989098,7.23,1.7456764861327947,1.6479207012413213,1.6330466084617188,1.6305253140788256,1.6300916515741608,1.6300160012205847,1.6300030123438407,1.6300008409601559,1.6299997266777146,1.6300004811791935,2.8,0.057838243066396844,0.008960350620660132,0.0015233042308588616,0.00026265703941225207,4.582578707974993e-05,8.000610291696419e-06,1.5061719197834646e-06,4.2048007730659806e-07,-1.3666114335644838e-07,2.405895960435156e-07,3.2,5.942161756933603,5.99103964937934,5.998476695769141,5.999737342960588,5.99995417421292,5.999991999389708,5.99999849382808,5.999999579519923,6.000000136661143,5.999999759410404,third
+273,2.0,100,1.658102039342035e+17,2.94,1.0784095813505903,63.6,Ring,Acid,0,0.01217173354690385,0.009202386020125491,6.3,5.6114928291069734,5.058711669904123,4.603413978876669,4.223615889797735,3.90467650259985,3.6331575298255228,3.396821732790985,3.1864057747131733,3.000232339656688,2.8346113789212857,2.55,2.55,2.55,2.55,2.55,2.55,2.55,2.55,2.55,2.55,2.55,2.41,2.7542535854465133,3.0306441650479385,3.258293010561665,3.4481920551011322,3.6076617487000746,3.7434212350872382,3.8615891336045074,3.9667971126434134,4.059883830171656,4.1426943105393566,second
+278,10.91,100,4.37651746804384e+17,2.16,0.7701082216960737,44.1,Branched,None,0,0.0709596059259456,0.04570115817919445,5.6,5.290955784190547,4.998966688080844,4.723082068512846,4.462412004315963,4.216132655155057,3.983456906488691,3.76363407071929,3.5559498871931363,3.359726522200373,3.174322568975003,1.84,1.84,1.84,1.84,1.84,1.84,1.84,1.84,1.84,1.84,1.84,2.2,2.509044215809454,2.8010333119191557,3.076917931487154,3.337587995684036,3.5838673448449425,3.8165430935113087,4.036365929280709,4.244050112806864,4.440273477799627,4.625677431024997,first
+276,6.88,94,2.8454784167402307e+17,1.58,0.4574248470388755,124.4,Ring,Base,0,0.4607381960761945,0.36003344513007224,9.12,1.1840866333686866,0.6330656423821805,0.4321502837541705,0.32831219956685953,0.26427516538338625,0.22155308157694775,0.19037401211379298,0.16705511498563902,0.1489161418678494,0.13418738514091683,2.02,2.02,2.02,2.02,2.02,2.02,2.02,2.02,2.02,2.02,2.02,0.65,4.617956683315656,4.89346717880891,4.993924858122915,5.045843900216571,5.077862417308308,5.099223459211526,5.1148129939431035,5.126472442507181,5.1355419290660755,5.142906307429541,second
+278,11.37,98,4.636496558645416e+16,1.92,0.6523251860396901,63.5,Branched,Base,1,0.01785972716005277,0.012443192086851332,2.7,2.6258666953717333,2.5571173940951106,2.4932175647050636,2.4337383965558423,2.3782955907943597,2.326535913726003,2.2781371968146313,2.232808336682579,2.1902892951106514,2.1503510990381294,2.03,1.955866695371733,1.8871173940951105,1.8232175647050635,1.7637383965558422,1.7082955907943598,1.6565359137260027,1.6081371968146314,1.562808336682579,1.5202892951106513,1.480351099038129,0.13,0.2041333046282667,0.2728826059048892,0.33678243529493623,0.3962616034441576,0.45170440920564003,0.5034640862739969,0.5518628031853683,0.5971916633174209,0.6397107048893484,0.6796489009618707,second
+274,5.3,93,4.6448849781185114e+17,4.57,1.5195132049061133,151.1,Branched,None,1,0.8650854574793361,0.5930346149358003,5.22,1.8886962064960044,1.882004052512385,1.886203281216032,1.88316993113836,1.879793534179337,1.8830347960479503,1.883828117929431,1.8816797375553385,1.8814553419295759,1.8843121842553912,3.88,3.88,3.88,3.88,3.88,3.88,3.88,3.88,3.88,3.88,3.88,3.5,5.1656518967519975,5.168997973743807,5.1668983593919835,5.16841503443082,5.170103232910332,5.168482601976025,5.168085941035285,5.1691601312223305,5.169272329035213,5.167843907872305,second
+280,7.51,91,2.8614365270051674e+17,1.79,0.5822156198526637,69.7,Branched,None,0,3.0179565402710034,2.2307648667772715,8.92,0.263207417892332,0.1860600714401311,0.15196002673929693,0.13166922721615076,0.11771633574570815,0.10745448658093895,0.0995521839923301,0.09309810397859711,0.08775379984935969,0.08323528753098355,0.02,0.02,0.02,0.02,0.02,0.02,0.02,0.02,0.02,0.02,0.02,4.77,7.655597527369221,7.681313309519955,7.6926799910869,7.699443590927948,7.704094554751429,7.707515171139685,7.710149272002555,7.712300632007133,7.714082066716879,7.71558823748967,third
+280,1.65,98,2.5582155083126106e+17,2.41,0.8796267475025636,34.2,Unknown,Base,1,0.13339907797982267,0.09152598479901153,5.54,4.1489275367450915,3.553176593860907,3.2593709514856983,3.1060090619683085,3.0211664010478274,2.975118749257182,2.9482796433198013,2.933839745681802,2.9255119296223935,2.9206151698287472,4.32,2.928927536745092,2.333176593860907,2.0393709514856986,1.8860090619683092,1.8011664010478279,1.7551187492571825,1.7282796433198016,1.7138397456818026,1.7055119296223937,1.7006151698287475,4.57,5.961072463254908,6.5568234061390935,6.850629048514302,7.003990938031691,7.0888335989521725,7.134881250742818,7.161720356680198,7.176160254318197,7.184488070377606,7.189384830171252,second
+275,5.42,100,4.550933411927428e+17,2.16,0.7701082216960737,77.5,Branched,Base,1,0.046025647835816474,0.02309411369768385,7.09,6.546069145084025,6.158247919156026,5.872984148762247,5.660569178278949,5.498486735987106,5.37237707068627,5.2745712861458625,5.198243740651341,5.137694593899447,5.089587069333043,2.63,2.086069145084024,1.6982479191560254,1.4129841487622457,1.2005691782789478,1.0384867359871053,0.9123770706862698,0.814571286145862,0.7382437406513405,0.677694593899446,0.629587069333043,2.07,2.6139308549159757,3.0017520808439744,3.2870158512377543,3.499430821721052,3.6615132640128945,3.78762292931373,3.8854287138541377,3.9617562593486593,4.022305406100553,4.070412930666957,second
+275,3.84,95,3.851001852226582e+17,3.05,1.1151415906193203,150.6,Ring,None,1,0.34691907930021726,0.28751096513178376,8.95,2.4527551468776174,2.2725590335988075,2.260938202339166,2.25997543357911,2.2583750097432955,2.263701565112585,2.261492207952012,2.260333047164144,2.259043351888117,2.261080068430376,1.04,1.04,1.04,1.04,1.04,1.04,1.04,1.04,1.04,1.04,1.04,2.82,6.068622426561191,6.158720483200597,6.164530898830417,6.165012283210445,6.165812495128352,6.163149217443708,6.164253896023993,6.164833476417928,6.165478324055941,6.164459965784813,second
+276,7.13,93,4.166023255331352e+17,1.17,0.1570037488096647,53.7,Linear,Base,1,1.0429977922469233,0.8466556366097064,4.97,3.8771057157725894,3.634585295791284,3.5814542062035875,3.5701529441113116,3.567440689712607,3.5662531012161014,3.5668958297990248,3.5657710600678714,3.565780956302043,3.5683893324046543,4.51,4.51,4.51,4.51,4.51,4.51,4.51,4.51,4.51,4.51,4.51,2.99,4.08289428422741,4.3254147042087165,4.378545793796413,4.389847055888689,4.392559310287393,4.393746898783899,4.393104170200975,4.3942289399321295,4.394219043697958,4.391610667595347,first
+273,1.78,100,4.82477115316246e+17,2.95,1.0818051703517284,156.5,Ring,Enzyme,1,0.035417499953371366,0.02791278245543076,1.52,1.5204643981508246,1.5209058604721692,1.5213255120259361,1.5217244257506803,1.5221036270307289,1.5224640936961815,1.5228067560229093,1.523132493470514,1.523442138539405,1.5237364864074836,2.75,2.75,2.75,2.75,2.75,2.75,2.75,2.75,2.75,2.75,2.75,1.95,1.9495356018491754,1.9490941395278307,1.9486744879740638,1.9482755742493196,1.947896372969271,1.9475359063038185,1.9471932439770907,1.946867506529486,1.946557861460595,1.9462635135925164,first
+278,2.67,96,2.1723708742027366e+17,4.3,1.4586150226995167,114.4,Branched,Acid,0,0.19880220591128614,0.14057125661972575,6.15,1.7903881592736413,1.3169948418128679,1.0993243110758668,0.9683182684030094,0.8775247574826686,0.8108892710257739,0.7588794940877135,0.7167174285223681,0.6818961146977206,0.6524475820924276,2.95,0.7701940796368206,0.5334974209064339,0.4246621555379334,0.3591591342015047,0.3137623787413343,0.28044463551288695,0.25443974704385675,0.233358714261184,0.2159480573488603,0.2012237910462138,4.36,6.53980592036318,6.776502579093567,6.885337844462067,6.9508408657984955,6.996237621258666,7.029555364487114,7.055560252956144,7.076641285738816,7.094051942651141,7.1087762089537865,third
+276,11.36,90,1.1418699178022352e+17,1.17,0.1570037488096647,103.1,Ring,None,1,1.056736390315619,0.6445386664465471,4.18,4.223371702950184,4.22331203381312,4.222979135356963,4.223240724475622,4.223357641189255,4.223103233382315,4.223118456183498,4.223472388230091,4.223308608561342,4.2231034837600125,0.11,0.13168585147509193,0.13165601690656045,0.1314895676784816,0.13162036223781093,0.13167882059462746,0.1315516166911579,0.1315592280917491,0.13173619411504608,0.13165430428067168,0.1315517418800072,3.87,3.848314148524908,3.84834398309344,3.8485104323215187,3.848379637762189,3.8483211794053727,3.8484483833088423,3.848440771908251,3.8482638058849545,3.848345695719329,3.8484482581199937,third
+271,4.22,100,4.8419233305093414e+17,1.45,0.371563556432483,170.5,Linear,Acid,1,0.025677151839598025,0.022935818490551894,5.0,3.5469758556243662,2.9262077051617617,2.5713695801467624,2.3397279688977317,2.177426911648397,2.0587968890432866,1.9677604282179149,1.8975855430217825,1.8427750362045379,1.7986604688600945,2.48,1.753487927812183,1.4431038525808808,1.2656847900733812,1.1498639844488658,1.0687134558241984,1.0093984445216433,0.9638802141089574,0.9287927715108912,0.9013875181022689,0.8793302344300472,0.5,1.2265120721878169,1.5368961474191192,1.7143152099266188,1.8301360155511341,1.9112865441758016,1.9706015554783567,2.0161197858910427,2.0512072284891087,2.078612481897731,2.1006697655699527,third
+277,13.16,90,1.1292992789495941e+17,3.96,1.3762440252663892,133.9,Ring,Acid,0,1.204071851116449,1.0262424041184355,2.27,0.4236532537791156,0.2338530018060856,0.1614577862105217,0.1231699862231532,0.0996564540310669,0.08361929896257338,0.07212370273600913,0.06331613925923678,0.05644564392288984,0.0509246301325114,3.5,3.5,3.5,3.5,3.5,3.5,3.5,3.5,3.5,3.5,3.5,4.93,5.853173373110442,5.948073499096957,5.984271106894739,6.003415006888423,6.015171772984466,6.023190350518713,6.028938148631995,6.033341930370382,6.036777178038554,6.039537684933744,second
+272,7.48,93,3.925305993174054e+17,2.72,1.000631880307906,110.6,Ring,Enzyme,0,0.5414901184956931,0.27313523797306133,8.68,5.628346235165912,3.647910609321316,2.3665412691468015,1.534904444029851,0.9953010592497756,0.6461166167605553,0.4186865856465433,0.27200071820054494,0.1762743166285053,0.11442959405892056,1.13,1.13,1.13,1.13,1.13,1.13,1.13,1.13,1.13,1.13,1.13,2.82,5.871653764834087,7.8520893906786835,9.1334587308532,9.96509555597015,10.504698940750226,10.853883383239445,11.081313414353458,11.227999281799457,11.323725683371496,11.385570405941081,first
+278,7.35,90,4.8879134764002746e+17,0.85,-0.16251892949777494,132.4,Branched,Enzyme,0,5.998156397922741,4.026761511749746,4.84,0.10236816927768667,0.051724981625232355,0.03460599926290091,0.026022941416859756,0.020824669967996808,0.017379624608957558,0.014890325847179899,0.013044387209894745,0.011601076307498273,0.010438865815005487,1.95,1.95,1.95,1.95,1.95,1.95,1.95,1.95,1.95,1.95,1.95,0.9,3.2688159153611562,3.2941375091873835,3.3026970003685494,3.3069885292915697,3.3095876650160014,3.311310187695521,3.31255483707641,3.3134778063950523,3.3141994618462505,3.314780567092497,second
+275,12.73,94,9.706879902371899e+16,3.54,1.264126727145683,174.3,Linear,Enzyme,1,0.13542072037656558,0.10659431252234662,9.6,1.6962263618192062,1.6157562425482002,1.60956942232737,1.6090766870536906,1.6099296094362798,1.6084171800947518,1.6084503077082473,1.6101571289441396,1.610780587276143,1.6094659847529846,3.51,3.51,3.51,3.51,3.51,3.51,3.51,3.51,3.51,3.51,3.51,2.63,5.2645912127269305,5.291414585817266,5.293476859224209,5.293641104315435,5.293356796854573,5.293860939968416,5.293849897430583,5.293280957018619,5.293073137574618,5.29351133841567,third
+276,9.96,98,1.1775189185922238e+17,4.8,1.5686159179138452,73.1,Ring,None,0,0.03335920602427148,0.01802780677925242,8.15,7.9353746033761885,7.726401243934063,7.522931076588435,7.324818960122702,7.131923901548389,6.944108806445817,6.761239951180459,6.583186982603759,6.409822918053137,6.241024145351981,3.17,3.17,3.17,3.17,3.17,3.17,3.17,3.17,3.17,3.17,3.17,3.16,3.16,3.16,3.16,3.16,3.16,3.16,3.16,3.16,3.16,3.16,first
+280,7.33,98,2.8673404675396547e+17,2.11,0.7466879474879751,131.9,Branched,Enzyme,1,0.14951851139246652,0.0832298365645074,5.09,4.483305054699492,4.446813995510563,4.444004383925715,4.44379466495274,4.443741560657942,4.443823333914646,4.443857225943111,4.443711346800427,4.443739154804067,4.4438996624489056,0.39,0.08665252734974616,0.06840699775528164,0.06700219196285759,0.06689733247636995,0.06687078032897092,0.06691166695732291,0.06692861297155543,0.06685567340021356,0.06686957740203366,0.06694983122445282,2.05,2.353347472650254,2.3715930022447185,2.3729978080371423,2.37310266752363,2.373129219671029,2.3730883330426766,2.3730713870284443,2.3731443265997862,2.373130422597966,2.373050168775547,third
+270,8.61,97,3.8102869949108966e+17,1.22,0.19885085874516517,106.8,Linear,Base,1,0.06523818149017316,0.04684992118633807,3.55,1.7923395032547957,1.5335514628635596,1.4533144087984469,1.4245659476815475,1.4144770222289273,1.4100306993885223,1.4089092862176802,1.4078645438727626,1.4079658887614808,1.407922217137803,2.23,2.23,2.23,2.23,2.23,2.23,2.23,2.23,2.23,2.23,2.23,3.17,3.7558868322484016,3.8421495123788136,3.8688951970671845,3.8784780174394844,3.881840992590358,3.883323100203826,3.8836969045941068,3.884045152042413,3.88401137041284,3.8840259276207325,third
+270,7.7,94,3.155382843607637e+16,3.66,1.297463147413275,51.1,Branched,None,0,0.020559003895026108,0.012117671160038375,4.04,3.5660549199662426,3.191730682870103,2.887414527088806,2.635923499442564,2.4269894792582374,2.25101699942007,2.0990166783898103,1.9638404863636048,1.8446782052407693,1.7391489290280564,1.43,1.43,1.43,1.43,1.43,1.43,1.43,1.43,1.43,1.43,1.43,4.19,4.426972540016879,4.614134658564949,4.766292736455598,4.892038250278718,4.996505260370882,5.084491500289966,5.1604916608050955,5.2280797568181985,5.287660897379616,5.340425535485973,second
+280,12.51,91,4.0384663979422726e+17,2.63,0.9669838461896731,192.8,Unknown,None,0,4.259369712838139,3.3250450655149564,8.7,0.28844480486377216,0.009602327588467791,0.00031864853065055344,1.0782732193784935e-05,5.121163663026754e-07,2.3176171235558808e-07,8.208744701476884e-07,8.024249278214664e-07,9.029555280473075e-07,5.352127523299448e-07,4.67,4.67,4.67,4.67,4.67,4.67,4.67,4.67,4.67,4.67,4.67,1.24,9.651555195136227,9.930397672411532,9.93968135146935,9.939989217267808,9.939999487883634,9.93999976823829,9.93999917912553,9.939999197575073,9.939999097044472,9.939999464787249,first
+277,3.92,94,2.910551471870101e+17,0.83,-0.18632957819149348,146.7,Unknown,None,1,0.5463872588052637,0.2777239882846711,5.28,3.694918341917965,3.5211759982202584,3.495559243982004,3.491596555669607,3.4910155888617562,3.4909593844080433,3.490792663657848,3.4910241036119642,3.490755193403501,3.49107312395512,2.07,0.4849183419179647,0.3111759982202578,0.28555924398200333,0.28159655566960623,0.28101558886175554,0.2809593844080422,0.2807926636578474,0.28102410361196367,0.28075519340350014,0.28107312395511924,0.14,1.7250816580820352,1.898824001779742,1.9244407560179966,1.928403444330394,1.9289844111382444,1.9290406155919577,1.9292073363421525,1.9289758963880361,1.9292448065964998,1.9289268760448806,second
+271,11.08,91,1.514959673215019e+17,4.89,1.5871923034867805,95.3,Unknown,None,1,0.43623691030127004,0.23305534980611317,3.55,3.612463479952418,3.626042882366143,3.6288841142338653,3.6294836986573356,3.629700170866149,3.629635262430809,3.629821537563525,3.6295668677652784,3.629661748718891,3.629661128285212,0.2,0.2624634799524178,0.27604288236614277,0.2788841142338652,0.2794836986573356,0.2797001708661489,0.27963526243080905,0.27982153756352507,0.2795668677652785,0.27966174871889066,0.2796611282852116,1.98,1.9175365200475822,1.9039571176338574,1.9011158857661348,1.9005163013426645,1.900299829133851,1.9003647375691908,1.9001784624364748,1.9004331322347214,1.9003382512811091,1.9003388717147882,second
+274,8.02,92,5.466003313194406e+16,0.86,-0.15082288973458366,20.1,Unknown,None,0,0.1579058411903635,0.10296688957880408,9.02,8.89367532704771,8.767350654095418,8.641025981143128,8.514701308190837,8.388376635238545,8.262051962286256,8.135727289333964,8.009402616381674,7.883077943429383,7.756753270477092,0.54,0.54,0.54,0.54,0.54,0.54,0.54,0.54,0.54,0.54,0.54,3.35,3.4763246729522908,3.602649345904582,3.7289740188568725,3.855298691809163,3.981623364761454,4.107948037713745,4.234272710666036,4.360597383618327,4.486922056570617,4.613246729522908,zero
+270,4.75,95,1.7358162385020934e+17,2.93,1.075002423028976,195.2,Branched,None,0,0.07244111710403574,0.041114652153648436,8.4,4.2586082784825745,2.8537705339300183,2.144795604420935,1.7199827408531452,1.4339544464062035,1.2314206854757916,1.0773179156598827,0.9579031405692406,0.863162102279019,0.7850092865722066,3.73,3.73,3.73,3.73,3.73,3.73,3.73,3.73,3.73,3.73,3.73,0.36,2.4306958607587132,3.1331147330349913,3.487602197789533,3.700008629573428,3.843022776796899,3.9442896572621047,4.021341042170059,4.081048429715381,4.128418948860491,4.167495356713898,second
+277,8.75,90,3.0266337301114714e+17,4.52,1.5085119938441398,179.0,Unknown,Base,0,3.227031616859346,1.8465410899112058,8.38,0.2544966743857532,0.1799360908982326,0.14693866936016484,0.12734582946766762,0.11382658793524973,0.10392793039279914,0.09627255246494247,0.09002449835289841,0.08485905797511148,0.08049107194826348,0.01,0.01,0.01,0.01,0.01,0.01,0.01,0.01,0.01,0.01,0.01,3.01,5.718501108538081,5.743354636367254,5.7543537768799435,5.760884723510776,5.765391137354915,5.768690689869065,5.771242482511684,5.773325167215699,5.7750469806749605,5.776502976017244,third
+271,4.1,94,1.8823693266307136e+17,1.17,0.1570037488096647,121.5,Linear,Base,0,0.1431403391415207,0.09147232716749248,8.65,1.1974474081775246,0.8512227331120383,0.6957137967608051,0.6030473069885073,0.5395495638345893,0.49299173738353386,0.45623119367468135,0.4267852349501464,0.40263228484466207,0.3821105712838923,3.54,3.54,3.54,3.54,3.54,3.54,3.54,3.54,3.54,3.54,3.54,3.92,6.4041841972741596,6.519592422295989,6.571428734413066,6.602317564337166,6.6234834787218055,6.639002754205491,6.651256268775108,6.661071588349953,6.669122571718448,6.6759631429053705,third
+275,7.83,96,3.1368292967227174e+17,2.72,1.000631880307906,116.3,Ring,Enzyme,0,0.18247120387262974,0.10472860991726045,1.57,1.356757677226554,1.1724808357887722,1.0129938862951853,0.8749069215722699,0.7557347418039455,0.6531130255244627,0.564790084816659,0.4886268653119574,0.4225969461903668,0.3652021713654711,2.54,2.54,2.54,2.54,2.54,2.54,2.54,2.54,2.54,2.54,2.54,4.67,4.883242322773446,5.067519164211228,5.227006113704815,5.36509307842773,5.4842652581960545,5.586886974475537,5.675209915183341,5.751373134688043,5.817403053809634,5.874797828634529,first
+270,3.43,93,4.7367334667481254e+17,3.52,1.2584609896100056,184.3,Linear,Enzyme,0,0.4818341460227068,0.38488240602174234,3.58,0.648257614348088,0.4622866389381992,0.3782716113316989,0.3281943069017608,0.29363098392056813,0.2683969584799437,0.24849008625659422,0.23244493977196798,0.21922614706561985,0.20802044724273472,4.6,4.6,4.6,4.6,4.6,4.6,4.6,4.6,4.6,4.6,4.6,1.82,2.79724746188397,2.8592377870206,2.8872427962227665,2.903935231032746,2.9154563386931436,2.923867680506685,2.930503304581135,2.935851686742677,2.9402579509781264,2.943993184252421,third
+273,11.02,100,3.1513274439678125e+17,2.78,1.0224509277025455,76.8,Unknown,Enzyme,0,0.02313314684917859,0.013488673531282603,4.76,4.046921918144922,3.5198790921555623,3.112717314115717,2.7920168981334728,2.534023021641471,2.318411905499473,2.1350438096261355,1.9787527929908273,1.8439646315334242,1.72628233422898,0.53,0.53,0.53,0.53,0.53,0.53,0.53,0.53,0.53,0.53,0.53,2.19,2.546539040927539,2.810060453922219,3.013641342942141,3.1739915509332635,3.3029884891792642,3.4107940472502634,3.502478095186932,3.580623603504586,3.6480176842332876,3.70685883288551,second
+276,13.38,98,2.6512361439240976e+17,2.19,0.7839015438284094,23.1,Branched,Base,1,0.07510973399042857,0.04723804306250977,9.93,1.9591206432840098,1.7242682606351758,1.6812805191154772,1.6721361150060925,1.6705077353602964,1.6700306009866197,1.669597997164811,1.6695795036816958,1.6706233582217178,1.6700189129666434,0.92,0.92,0.92,0.92,0.92,0.92,0.92,0.92,0.92,0.92,0.92,4.65,7.306959785571998,7.3852439131216085,7.399573160294841,7.402621294997969,7.403164088213235,7.40332313300446,7.403467334278397,7.403473498772768,7.403125547259427,7.403327029011119,third
+279,9.14,90,1.9076543191259104e+17,4.34,1.4678743481123135,174.5,Linear,None,0,2.6915796631081434,1.8790681186423386,6.67,5.370010291587306,5.370001551511712,5.369998455444854,5.3700006626957935,5.369999522902676,5.370000561897682,5.369999753647489,5.370000940105207,5.3699997833340865,5.37000044130123,1.3,1.029158730597529e-05,1.5515117119116458e-06,-1.5445551468392853e-06,6.626957918370635e-07,-4.77097325878659e-07,5.618976806390305e-07,-2.463525125148099e-07,9.401052055641168e-07,-2.1666591605137424e-07,4.413012278234196e-07,3.55,4.849989708412694,4.849998448488288,4.850001544555146,4.849999337304206,4.850000477097324,4.8499994381023175,4.8500002463525105,4.849999059894793,4.850000216665913,4.849999558698769,second
+277,2.8,94,4.128183821298453e+17,2.61,0.959350221334602,97.0,Unknown,Base,1,0.774968958207164,0.6364595623922235,1.49,1.1483081973703007,1.1486834143463678,1.1503844137997816,1.1477474331010067,1.1486482766935375,1.1487378760681093,1.1471661668914794,1.1493006248161546,1.148028181270077,1.148704159714167,2.87,2.87,2.87,2.87,2.87,2.87,2.87,2.87,2.87,2.87,2.87,1.73,1.8438972675432332,1.8437721952178778,1.8432051954000734,1.8440841889663317,1.8437839077688216,1.843754041310631,1.8442779443695079,1.843566458394616,1.8439906062433087,1.843765280095279,third
+271,5.56,99,4.6500291116917875e+17,1.9,0.6418538861723947,60.5,Ring,Enzyme,0,0.038436100772473704,0.0340298468019305,5.8,4.275758098347344,3.3852307522720833,2.803786232927625,2.3908185842198657,2.086168509747117,1.8494837841259608,1.660158106699704,1.5070278520578089,1.380473469496696,1.2727939741680068,1.41,1.41,1.41,1.41,1.41,1.41,1.41,1.41,1.41,1.41,1.41,0.36,1.122120950826328,1.5673846238639582,1.8581068835361874,2.064590707890067,2.216915745126441,2.335258107937019,2.4299209466501477,2.5064860739710952,2.5697632652516518,2.623603012915996,second
+270,7.59,90,4.3852740015753325e+17,0.58,-0.5447271754416722,189.4,Branched,Acid,0,1.697544668225738,1.4630435151645271,6.64,2.451419235256167,2.392345984981679,2.390091783877388,2.3900035626080567,2.3900001924451324,2.3900001235608626,2.3899987852803757,2.389999845515936,2.3899999622900614,2.3900000643363963,4.25,0.06141923525616728,0.0023459849816792997,9.178387738864111e-05,3.562608057450942e-06,1.9244513288076792e-07,1.2356086282690615e-07,-1.2147196239958004e-06,-1.5448406402459462e-07,-3.770993859409718e-08,6.43363961403864e-08,3.68,7.868580764743834,7.927654015018323,7.929908216122612,7.929996437391944,7.929999807554869,7.929999876439139,7.930001214719626,7.930000154484066,7.930000037709941,7.929999935663607,second
+272,1.17,90,1.523708701938004e+17,3.91,1.3635373739972745,76.9,Linear,Base,1,0.7920582590430907,0.41236516402402534,4.09,1.0801939922890627,1.0075210937076142,1.0037144958006718,1.0035266235054598,1.0034246118406605,1.0027058900760135,1.0026391012037954,1.003233335986359,1.004396630742279,1.0039535993755835,3.99,3.99,3.99,3.99,3.99,3.99,3.99,3.99,3.99,3.99,3.99,0.39,1.8949030038554688,1.9312394531461932,1.9331427520996645,1.9332366882472702,1.93328769407967,1.9336470549619937,1.9336804493981028,1.933383332006821,1.932801684628861,1.9330232003122088,second
+271,12.19,95,3.198939138775145e+17,3.98,1.3812818192963463,68.4,Branched,None,1,0.15606606179063878,0.12893186500299625,3.97,1.7946090469305571,1.5814951588919948,1.5379140533758062,1.5278908325373828,1.5258150217481172,1.525313249648845,1.5248950504252403,1.5250018480691387,1.525417154959614,1.5251375857799896,2.63,1.5423045234652784,1.435747579445997,1.413957026687903,1.4089454162686912,1.4079075108740584,1.4076566248244224,1.4074475252126197,1.407500924034569,1.4077085774798066,1.4075687928899945,2.74,3.827695476534722,3.9342524205540035,3.956042973312097,3.961054583731309,3.962092489125942,3.962343375175578,3.96255247478738,3.962499075965431,3.9622914225201935,3.9624312071100056,third
+278,6.02,95,4.6025274279093325e+17,2.94,1.0784095813505903,60.1,Unknown,Enzyme,0,0.6492093823512848,0.44672177854687384,3.45,0.5608095406658183,0.39886252667249245,0.3265040749004884,0.28283706780621376,0.25333865654677656,0.23119640474167924,0.21412179481107935,0.2004630766797668,0.18900765201735312,0.17929141039901536,2.95,2.95,2.95,2.95,2.95,2.95,2.95,2.95,2.95,2.95,2.95,2.41,3.3730634864447273,3.427045824442503,3.4511653083665044,3.4657209773979294,3.475553781151075,3.4829345317527745,3.4886260683963077,3.4931789744400783,3.4969974493275497,3.5002361965336624,third
+274,5.49,98,3.861356071456465e+17,0.6,-0.5108256237659907,103.6,Linear,None,1,0.08009448461464726,0.05330820497475142,2.84,2.3382478184902102,2.0966611097755923,1.9561708831351594,1.867331244957432,1.8072341036297814,1.7659505184894684,1.7364719477005928,1.7151697765848,1.6998801320294714,1.6886275676745388,0.76,0.5091239092451053,0.3883305548877961,0.31808544156757973,0.2736656224787159,0.24361705181489066,0.2229752592447341,0.20823597385029632,0.19758488829239987,0.18994006601473568,0.18431378383726926,0.1,0.3508760907548947,0.4716694451122039,0.5419145584324203,0.586334377521284,0.6163829481851093,0.6370247407552658,0.6517640261497036,0.6624151117076,0.6700599339852643,0.6756862161627306,third
+278,6.36,90,2.9462536361461056e+17,1.93,0.6575200029167941,68.9,Ring,Acid,0,3.615467045985354,2.146382171861972,9.84,0.5460422344763607,0.43576681962473235,0.391125250554187,0.3670703681403732,0.3524221406926621,0.3428992767013162,0.3364146672934106,0.3318890184178262,0.3286882318054988,0.32637131461769525,4.76,0.11302111723818017,0.05788340981236604,0.03556262527709338,0.023535184070186482,0.01621107034633092,0.011449638350657989,0.008207333646705178,0.005944509208912976,0.0043441159027492625,0.003185657308847507,0.33,4.976978882761818,5.032116590187633,5.054437374722905,5.0664648159298125,5.073788929653667,5.078550361649341,5.0817926663532935,5.084055490791085,5.085655884097249,5.086814342691151,third
+278,11.3,100,1.1075023154459589e+17,1.34,0.29266961396282004,171.5,Unknown,Base,0,0.017956726653085602,0.013985587643370954,3.27,3.2556346186775316,3.2412692373550627,3.226903856032594,3.2125384747101258,3.1981730933876573,3.183807712065189,3.1694423307427204,3.155076949420252,3.1407115680977835,3.126346186775315,4.02,4.02,4.02,4.02,4.02,4.02,4.02,4.02,4.02,4.02,4.02,0.82,0.8343653813224684,0.8487307626449369,0.8630961439674054,0.8774615252898739,0.8918269066123423,0.9061922879348108,0.9205576692572793,0.9349230505797478,0.9492884319022162,0.9636538132246848,zero
+270,6.53,95,2.5990500798031478e+17,2.34,0.85015092936961,181.0,Ring,Enzyme,0,0.10846660321183889,0.07301830632377848,6.75,6.1889731057604775,5.674576562843351,5.202809960194452,4.770136602336736,4.373482787829571,4.009941704912881,3.6767727429937267,3.371401492646296,3.0914197456119146,2.834585494799038,1.34,1.34,1.34,1.34,1.34,1.34,1.34,1.34,1.34,1.34,1.34,3.61,4.171026894239522,4.685423437156649,5.157190039805547,5.5898633976632635,5.986517212170429,6.350058295087118,6.683227257006273,6.988598507353704,7.268580254388085,7.525414505200962,first
+275,12.51,99,4.911514942114147e+16,4.05,1.3987168811184478,84.2,Branched,None,0,0.007692471650819766,0.005052356342321374,3.74,3.651410927900828,3.5668199235675786,3.4859601374702165,3.4085908048330604,3.3344946746747444,3.26346897091535,3.1953253074400214,3.1298896880989666,3.0670025067074547,3.006518547045819,3.94,3.8514109279008277,3.7668199235675783,3.6859601374702162,3.60859080483306,3.534494674674744,3.4634689709153497,3.395325307440021,3.3298896880989663,3.2670025067074544,3.2065185470458184,0.6,0.6885890720991725,0.7731800764324218,0.8540398625297838,0.9314091951669402,1.0055053253252564,1.0765310290846508,1.144674692559979,1.210110311901034,1.2729974932925456,1.3334814529541816,second
+275,10.69,100,3.0087195771547725e+17,4.21,1.43746264769429,163.9,Ring,Base,1,0.03042854183098306,0.02713455501658511,2.57,2.4633362225773814,2.3693571842124657,2.2860246489727385,2.211941418737816,2.146002438454585,2.0871857339439392,2.034552411900779,1.98724665989401,1.9444957463665453,1.9056560465399282,1.95,1.8433362225773815,1.7493571842124658,1.6660246489727386,1.5919414187378158,1.526002438454585,1.4671857339439391,1.4145524119007788,1.3672466598940098,1.3244957463665454,1.2856560465399283,0.38,0.48666377742261846,0.5806428157875343,0.6639753510272615,0.7380585812621842,0.803997561545415,0.8628142660560607,0.9154475880992211,0.96275334010599,1.0055042536334546,1.0443439534600716,second
+271,10.28,97,4.832646014502262e+17,3.88,1.355835153635182,188.0,Ring,Base,0,0.09704609339239866,0.07207774349420297,1.08,0.9249000767723119,0.8086276688503315,0.7184780965276173,0.6467383685163741,0.5877609752731345,0.5385165603517831,0.4970379049856618,0.4616319522840127,0.4309015807468374,0.4038820013631124,3.98,3.98,3.98,3.98,3.98,3.98,3.98,3.98,3.98,3.98,3.98,0.05,0.12754996161384408,0.18568616557483428,0.2307609517361914,0.266630815741813,0.29611951236343276,0.3207417198241085,0.3414810475071691,0.35918402385799364,0.37454920962658134,0.38805899931844384,second
+278,10.0,97,3.5879751745550285e+17,1.32,0.27763173659827955,186.4,Ring,None,0,0.21302740762069622,0.17714961836726828,7.72,3.118874362228355,2.886503277037475,2.8365732496390774,2.8242501306462806,2.821093818489226,2.820282000967157,2.8200728109907316,2.8200186416198525,2.820004760292522,2.820001681222265,2.45,0.14943718111417814,0.03325163851873803,0.008286624819539092,0.002125065323140655,0.0005469092446132586,0.0001410004835788349,3.640549536616742e-05,9.320809926482773e-06,2.3801462611534733e-06,8.406111326410127e-07,4.37,6.670562818885822,6.786748361481262,6.811713375180461,6.817874934676859,6.819453090755387,6.819858999516422,6.8199635945046335,6.819990679190074,6.819997619853739,6.819999159388868,third
+271,9.67,90,4.551950268312385e+17,3.68,1.3029127521808397,126.3,Unknown,None,1,2.043024409250332,1.5044397593366725,3.18,1.7689114947208353,1.7643464217640725,1.7654478346358773,1.7643866689113223,1.764182474869535,1.764959066070898,1.7641711112029153,1.7654270996620454,1.7647607319739085,1.7646090996122736,2.24,0.8289114947208358,0.8243464217640729,0.8254478346358777,0.8243866689113228,0.8241824748695352,0.8249590660708984,0.8241711112029154,0.8254270996620455,0.8247607319739088,0.8246090996122738,0.56,1.9710885052791645,1.9756535782359272,1.9745521653641225,1.9756133310886774,1.9758175251304648,1.9750409339291017,1.9758288887970845,1.9745729003379544,1.9752392680260913,1.9753909003877261,second
+270,9.51,95,1.8228556046166342e+17,0.84,-0.1743533871447778,128.2,Unknown,Acid,0,0.07607354591389957,0.06595339413607884,1.29,1.2138332982181788,1.1421638114865236,1.0747244565251455,1.0112630443723962,0.951549442732146,0.8953649669513417,0.8425015660934133,0.7927618229382741,0.7459589539823204,0.7019168094384318,0.85,0.85,0.85,0.85,0.85,0.85,0.85,0.85,0.85,0.85,0.85,1.21,1.2861667017818212,1.3578361885134764,1.4252755434748545,1.4887369556276038,1.548450557267854,1.6046350330486583,1.6574984339065866,1.707238177061726,1.7540410460176796,1.7980831905615682,first
+271,3.18,92,4.873189851073425e+17,3.74,1.3190856114264407,68.8,Branched,Base,0,0.9002848807864029,0.7265634594929211,3.12,1.7808781080399487,1.5451082237005949,1.4756401921206495,1.4524451441983883,1.444390595874271,1.4415546435226303,1.4405511984576311,1.440195543459952,1.4400695015780993,1.4400249181672111,1.68,0.34087810803994795,0.10510822370059397,0.03564019212064859,0.012445144198387558,0.004390595874270357,0.001554643522629534,0.0005511984576302515,0.00019554345995123623,6.950157809859808e-05,2.4918167210288914e-05,2.24,3.579121891960052,3.814891776299406,3.8843598078793513,3.907554855801612,3.915609404125729,3.91844535647737,3.9194488015423694,3.9198044565400485,3.919930498421901,3.9199750818327894,second
+272,1.18,92,2.4832214439040435e+17,0.86,-0.15082288973458366,131.8,Linear,Base,0,0.5330629788158854,0.2870756764270282,7.36,4.062738483100033,3.7064615582396487,3.638136912606119,3.6238696981837846,3.620826310389966,3.6201770895010124,3.6200377218058764,3.6200079884433047,3.6200017351003955,3.6200005634671486,3.74,0.44273848310003355,0.0864615582396496,0.01813691260611964,0.0038696981837850917,0.0008263103899664588,0.00017708950101326726,3.7721805877310664e-05,7.988443305535706e-06,1.7351003961684571e-06,5.63467149250548e-07,3.41,6.707261516899966,7.06353844176035,7.13186308739388,7.146130301816214,7.149173689610032,7.149822910498987,7.149962278194122,7.149992011556694,7.149998264899604,7.149999436532851,second
+277,5.91,100,1.4484701730788938e+17,1.31,0.2700271372130602,159.0,Ring,Enzyme,0,0.020088972594424145,0.016824199946085593,6.84,4.568480312081652,3.706731015529487,3.2244228329871856,2.9029995427171515,2.672604189331191,2.494479880043062,2.352920437392073,2.237669481274197,2.1406511916935917,2.0572822174546905,2.96,1.824240156040826,1.3933655077647438,1.1522114164935928,0.9914997713585757,0.8763020946655955,0.787239940021531,0.7164602186960364,0.6588347406370983,0.6103255958467958,0.5686411087273453,1.3,2.4357598439591737,2.866634492235256,3.107788583506407,3.268500228641424,3.3836979053344045,3.472760059978469,3.5435397813039633,3.6011652593629013,3.649674404153204,3.6913588912726545,third
+270,8.33,95,1.4257913212221853e+17,4.03,1.3937663759585917,117.3,Unknown,Enzyme,0,0.05950279400295493,0.04977278293327017,1.7,1.5477002383416791,1.4184919195918628,1.3072231492186408,1.210383692580302,1.1259359237386355,1.051973150183002,0.9866946698815298,0.9284057712811133,0.8755177333074153,0.8269304775927712,2.05,1.897700238341679,1.7684919195918627,1.6572231492186407,1.5603836925803019,1.4759359237386354,1.401973150183002,1.3366946698815296,1.2784057712811132,1.2255177333074152,1.176930477592771,3.54,3.6922997616583206,3.821508080408137,3.932776850781359,4.029616307419698,4.114064076261364,4.188026849816998,4.2533053301184705,4.311594228718887,4.364482266692585,4.413069522407229,second
+280,2.21,97,1.6743523825128218e+17,1.07,0.06765864847381486,124.9,Linear,Acid,1,0.13415954861752902,0.07747223242820901,8.6,7.944166036146213,7.390486098905967,6.921994979922371,6.526069454436001,6.192792557621224,5.9127699410949734,5.677129872916751,5.477523237588626,5.308014447412147,5.164910692859276,3.52,3.52,3.52,3.52,3.52,3.52,3.52,3.52,3.52,3.52,3.52,3.39,4.045833963853787,4.599513901094033,5.06800502007763,5.463930545563999,5.7972074423787765,6.077230058905027,6.312870127083249,6.512476762411374,6.681985552587853,6.825089307140725,first
+277,5.87,95,6.728711087571403e+16,0.84,-0.1743533871447778,181.2,Ring,None,0,0.08182342274664059,0.06482286105910946,1.64,1.5360857781064576,1.438755869670335,1.347591013883386,1.2621952473485445,1.1822111514283808,1.1073008602175194,1.0371437506091294,0.9714364422949251,0.9098927977651643,0.8522439223086509,2.12,2.12,2.12,2.12,2.12,2.12,2.12,2.12,2.12,2.12,2.12,3.27,3.3739142218935427,3.4712441303296653,3.562408986116614,3.6478047526514557,3.727788848571619,3.8026991397824808,3.8728562493908703,3.938563557705075,4.000107202234836,4.057756077691349,first
+278,13.25,97,2.885799778450974e+17,3.15,1.1474024528375417,73.8,Unknown,None,0,0.17133743011252323,0.09946293242817206,3.01,1.0368509015224519,0.7560836953641715,0.6238468771213352,0.5436336932661677,0.48746556393964985,0.44608987129617994,0.4138447711358297,0.3874453117991778,0.3655532146048816,0.3469938221366039,2.93,2.93,2.93,2.93,2.93,2.93,2.93,2.93,2.93,2.93,2.93,1.27,1.9277163661591827,2.0213054348786095,2.065384374292888,2.092122102244611,2.110844812020117,2.12463670956794,2.135385076288057,2.1441848960669407,2.151482261798373,2.1576687259544656,third
+270,7.46,100,1.580772443989263e+17,1.63,0.4885800148186709,194.2,Branched,Acid,0,0.007112260647007427,0.004860683182324283,3.17,3.059628621494181,2.956684799659602,2.860441714567342,2.770255177052969,2.685584615002612,2.605948317777847,2.53090833597052,2.4600704814027443,2.3930843271269016,2.329643207425643,1.73,1.73,1.73,1.73,1.73,1.73,1.73,1.73,1.73,1.73,1.73,2.83,2.8851856892529097,2.936657600170199,2.984779142716329,3.029872411473516,3.0722076924986945,3.112025841111077,3.14954583201474,3.1849647592986283,3.2184578364365493,3.250178396287179,second
+280,5.77,90,1.1998491966009358e+17,4.66,1.5390154481375546,173.9,Branched,Enzyme,1,1.944529576737702,1.2020468583267063,6.97,6.706452424348502,6.706561107501783,6.706528305370406,6.706611031611143,6.706431724627828,6.706674051857991,6.706351318710323,6.706690053261114,6.706370511182753,6.7066724030341005,0.45,0.18645242434850165,0.18656110750178315,0.18652830537040446,0.18661103161114084,0.1864317246278278,0.18667405185798994,0.18635131871032207,0.18669005326111304,0.18637051118275244,0.18667240303410065,1.76,2.0235475756514987,2.023438892498217,2.0234716946295963,2.02338896838886,2.023568275372173,2.023325948142011,2.023648681289679,2.023309946738888,2.023629488817248,2.0233275969659,second
+274,11.58,99,4.17531217730561e+16,2.04,0.712949807856125,127.4,Ring,Acid,0,0.005583512004169371,0.004488095519050804,3.27,2.9512322521280776,2.6983721671287326,2.4909816595044965,2.3174886365055114,2.1713874789346255,2.0467276499250917,1.9380457408624596,1.840477015621122,1.7527822349692705,1.6741036717615003,3.78,3.620616126064039,3.494186083564366,3.390490829752248,3.3037443182527553,3.2306937394673123,3.168363824962545,3.1140228704312296,3.0652385078105606,3.0213911174846344,2.9820518358807493,2.7,2.859383873935961,2.985813916435634,3.089509170247752,3.1762556817472447,3.2493062605326877,3.3116361750374548,3.365977129568771,3.414761492189439,3.458608882515365,3.4979481641192502,third
+275,3.84,93,2.378540412497406e+16,1.7,0.5306282510621704,146.7,Branched,Enzyme,0,0.05138862574028435,0.03824095268943048,4.38,1.8330924371075774,1.3572821767612124,1.1256507675901994,0.9831700740075746,0.8835636739624247,0.809906415235824,0.751316973552367,0.7039243940536142,0.6647276354588798,0.6313773270830787,4.61,4.61,4.61,4.61,4.61,4.61,4.61,4.61,4.61,4.61,4.61,2.34,3.1889691876308075,3.3475726077462626,3.4247830774699333,3.472276641997475,3.5054787753458583,3.5300311949213916,3.549561008815877,3.5653585353154615,3.5784241215137063,3.5895408909723066,third
+270,8.18,92,2.290776596529465e+17,3.08,1.1249295969854831,154.0,Ring,Base,1,0.3638061030707699,0.3198807771669887,2.93,1.4850638485527488,1.2276477799361623,1.1700784775679554,1.1566907594798925,1.1537140512068649,1.1526474955366253,1.1526103086646908,1.15229179866206,1.15286534673991,1.152580672118211,4.69,3.2450638485527494,2.9876477799361627,2.930078477567956,2.916690759479893,2.9137140512068656,2.9126474955366257,2.912610308664692,2.912291798662061,2.912865346739911,2.912580672118212,2.04,3.4849361514472514,3.742352220063838,3.799921522432045,3.8133092405201077,3.8162859487931353,3.817352504463375,3.817389691335309,3.8177082013379398,3.81713465326009,3.817419327881789,second
+275,7.95,90,5.649429967186398e+16,3.65,1.2947271675944,94.1,Linear,Base,1,0.4533296400676152,0.28025152249344626,6.02,4.182887889194881,4.182051136752322,4.182145041647346,4.182439026334207,4.182322842688236,4.182029122029,4.1820464714771886,4.182305620538503,4.1825882276231505,4.182293347005117,1.05,0.13144394459744035,0.13102556837616056,0.13107252082367243,0.1312195131671033,0.13116142134411804,0.13101456101449982,0.13102323573859423,0.13115281026925155,0.13129411381157546,0.1311466735025587,2.79,3.708556055402559,3.708974431623839,3.7089274791763267,3.708780486832896,3.708838578655882,3.7089854389854997,3.7089767642614055,3.7088471897307485,3.7087058861884246,3.7088533264974415,third
+272,3.67,90,2.9685458997642765e+17,1.56,0.44468582126144574,135.6,Ring,None,1,1.5431173256845163,0.8172953738952791,8.67,1.325257210197448,1.3249662025258475,1.3247552268729472,1.3246040564525061,1.32452870030773,1.3245607029636945,1.3247217922360075,1.3250073141306147,1.3253841724196378,1.3259257586388562,3.52,3.52,3.52,3.52,3.52,3.52,3.52,3.52,3.52,3.52,3.52,1.95,4.39824759660085,4.398344599158051,4.398414924375685,4.398465314515832,4.398490433230757,4.398479765678769,4.398426069254665,4.398330895289796,4.398205275860121,4.398024747120382,third
+278,5.28,100,2.878615354530405e+16,1.98,0.6830968447064438,184.1,Unknown,Acid,1,0.004667304829955441,0.003262077783686254,1.26,1.255269877994325,1.2505976724071348,1.2459825130768218,1.2414235462826737,1.2369199342812711,1.232470855800189,1.2280755046111382,1.2237330891320803,1.2194428324272268,1.2152039722070394,1.35,1.345269877994325,1.340597672407135,1.335982513076822,1.3314235462826738,1.3269199342812712,1.322470855800189,1.3180755046111383,1.3137330891320804,1.309442832427227,1.3052039722070394,0.61,0.6147301220056749,0.6194023275928651,0.624017486923178,0.6285764537173263,0.6330800657187289,0.6375291441998111,0.6419244953888618,0.6462669108679197,0.6505571675727733,0.6547960277929608,second
+280,9.89,93,8.693176411801594e+16,2.38,0.8671004876833833,165.9,Branched,Enzyme,1,0.3883195991875533,0.3303589796547693,8.89,1.7829007842033575,1.7820200069835188,1.7846180627319994,1.783574295079313,1.7814030798899612,1.782407668361699,1.7847753227557086,1.7832596866174175,1.7813491928618665,1.7836792169687763,3.78,3.78,3.78,3.78,3.78,3.78,3.78,3.78,3.78,3.78,3.78,4.29,6.659033071932216,6.6593266643388285,6.658460645756001,6.658808568306897,6.6595323067033485,6.659197443879436,6.6584082257481,6.6589134377941965,6.659550269046047,6.658773594343744,third
+277,7.24,96,4.151661967483282e+17,3.47,1.244154593958768,93.3,Ring,Acid,1,0.327030477484878,0.23184781255060968,3.02,1.5529493195885353,1.5499076914022742,1.5520852764153712,1.5497867976638324,1.550040099945307,1.551410589263202,1.5522259617719838,1.5500783248992034,1.5498054347241776,1.551983896620383,2.5,2.5,2.5,2.5,2.5,2.5,2.5,2.5,2.5,2.5,2.5,4.77,5.259016893470489,5.260030769532575,5.259304907861543,5.260071067445389,5.259986633351564,5.259529803578932,5.259258012742672,5.259973891700265,5.26006485509194,5.259338701126539,third
+273,4.55,90,4.546981241962154e+17,3.41,1.2267122912954254,192.8,Branched,Base,1,2.7345774451076523,2.082757780502818,4.06,1.7620428639863492,1.7602887101709006,1.759679188724748,1.760461782686556,1.7612879086746844,1.7620131113722086,1.7623170497920384,1.7619726467199324,1.7610741918359591,1.7616274757787322,2.44,2.44,2.44,2.44,2.44,2.44,2.44,2.44,2.44,2.44,2.44,2.92,4.068978568006825,4.069855644914549,4.070160405637624,4.06976910865672,4.069356045662655,4.068993444313892,4.068841475103977,4.06901367664003,4.069462904082017,4.06918626211063,second
+277,5.42,99,5.32890506632813e+16,3.79,1.332366019094335,67.0,Branched,Enzyme,1,0.011409475270585213,0.00988039609257939,6.98,6.24780555232044,5.670212906137264,5.203003508167682,4.820138944379313,4.505115258604127,4.242627424668143,4.018516140015782,3.8230535897215043,3.654313441767644,3.507830464869194,2.43,2.43,2.43,2.43,2.43,2.43,2.43,2.43,2.43,2.43,2.43,3.83,4.1960972238397805,4.484893546931368,4.71849824591616,4.909930527810344,5.067442370697937,5.19868628766593,5.310741929992109,5.408473205139249,5.492843279116179,5.566084767565403,second
+274,3.69,100,1.2083133495067205e+17,2.26,0.8153648132841944,152.9,Unknown,Enzyme,1,0.010417267542896711,0.007372379135497575,4.97,4.844260429214786,4.727567599721798,4.619054176514932,4.517951414992248,4.423618901852052,4.335475653783355,4.2529911912849565,4.175685538665445,4.1031292240431965,4.0349432793463755,3.53,3.404260429214786,3.287567599721798,3.1790541765149323,3.077951414992248,2.983618901852052,2.8954756537833553,2.8129911912849574,2.7356855386654457,2.663129224043197,2.594943279346376,2.65,2.7757395707852135,2.8924324002782016,3.0009458234850674,3.102048585007752,3.1963810981479477,3.2845243462166445,3.3670088087150423,3.444314461334554,3.5168707759568028,3.5850567206536237,second
+270,11.68,97,3.874326617563413e+17,3.08,1.1249295969854831,25.1,Unknown,Base,1,0.06633464181737346,0.0352279258312863,3.48,1.658583013978255,1.2364742111182274,1.0636162134652822,0.9790503496431984,0.9350359319081079,0.9110588081259628,0.8979221428243387,0.8902248924962646,0.8863251550704315,0.8839201207773045,3.97,3.059291506989127,2.8482371055591136,2.761808106732641,2.7195251748215994,2.697517965954054,2.685529404062981,2.6789610714121697,2.6751124462481326,2.6731625775352157,2.6719600603886526,2.6,3.510708493010873,3.7217628944408867,3.808191893267359,3.850474825178401,3.8724820340459463,3.884470595937019,3.8910389285878306,3.8948875537518677,3.8968374224647846,3.8980399396113476,third
+273,12.47,99,6.499731704350383e+16,0.84,-0.1743533871447778,169.7,Unknown,Acid,1,0.007412747406212329,0.006205176867383755,8.45,7.7112733377084774,7.099432449624395,6.583614762860893,6.144177161548448,5.768957113411701,5.4465650710879085,5.166333254511786,4.918315650915499,4.695048593292939,4.495952526917699,0.67,0.67,0.67,0.67,0.67,0.67,0.67,0.67,0.67,0.67,0.67,3.23,3.599363331145761,3.9052837751878022,4.1631926185695525,4.382911419225775,4.570521443294149,4.731717464456045,4.871833372744106,4.9958421745422505,5.107475703353529,5.207023736541149,second
+275,5.68,90,1.3752969043270358e+17,4.98,1.6054298910365616,138.7,Linear,Acid,1,1.103585413477009,0.8922366845198374,6.03,4.777044295718392,4.521362395265498,4.469948495858959,4.459957436525699,4.458204639949784,4.456486233414975,4.458043853129075,4.453890268191052,4.455943718978634,4.462278162653213,3.67,3.67,3.67,3.67,3.67,3.67,3.67,3.67,3.67,3.67,3.67,3.94,5.192955704281609,5.448637604734502,5.500051504141042,5.510042563474301,5.5117953600502165,5.513513766585025,5.511956146870926,5.516109731808949,5.514056281021366,5.5077218373467876,first
+277,2.68,95,1.3099793403440186e+17,3.38,1.2178757094949273,196.1,Linear,None,1,0.1592979576018935,0.08719448748767136,3.84,1.0828323766188017,0.7922156932807706,0.7045398108176429,0.6728910620829742,0.6606282091182462,0.6556369009430633,0.6538943223883431,0.6529677604766009,0.6526971437986708,0.6526770193806005,3.99,2.611416188309401,2.466107846640385,2.4222699054088213,2.4064455310414865,2.4003141045591225,2.397818450471531,2.3969471611941713,2.3964838802383004,2.396348571899335,2.3963385096903003,0.27,1.6485838116905989,1.7938921533596144,1.8377300945911783,1.8535544689585128,1.8596858954408768,1.8621815495284684,1.8630528388058283,1.8635161197616996,1.8636514281006646,1.8636614903096995,third
+278,12.29,91,3.4406405134161555e+17,1.36,0.3074846997479607,192.1,Branched,Base,1,2.73925460242395,2.0799133709534097,7.3,2.141036985024505,2.140337692180636,2.1406505746726463,2.1417957719805387,2.1436700779987303,2.145316118524618,2.1439795943029503,2.1414894457925167,2.140623769939181,2.1417480722924287,1.67,1.67,1.67,1.67,1.67,1.67,1.67,1.67,1.67,1.67,1.67,3.46,6.039481507487748,6.039831153909683,6.039674712663677,6.03910211400973,6.038164961000633,6.037341940737687,6.038010202848522,6.039255277103739,6.039688115030406,6.039125963853782,second
+273,7.28,91,9.469416860543566e+16,3.66,1.297463147413275,144.8,Linear,None,0,0.3665622284274156,0.27028597772962765,1.22,0.9267502172580675,0.6335004345161352,0.34025065177420266,0.047000869032270076,-0.2462489137096624,-0.5394986964515955,-0.832748479193528,-1.1259982619354612,-1.4192480446773938,-1.7124978274193272,3.25,3.25,3.25,3.25,3.25,3.25,3.25,3.25,3.25,3.25,3.25,2.79,3.083249782741933,3.376499565483865,3.6697493482257975,3.96299913096773,4.256248913709663,4.549498696451596,4.842748479193528,5.135998261935462,5.429248044677394,5.722497827419327,zero
+270,12.91,91,3.042390415541577e+17,3.78,1.3297240096314962,124.2,Linear,None,0,0.7543463685543923,0.6677791356843628,9.41,4.788116516649668,4.648770753225932,4.640533748448246,4.640032766754718,4.640001891503339,4.640000182025025,4.639999870330412,4.639999159809034,4.640000632614315,4.640000753122951,4.77,0.14811651664966577,0.008770753225930406,0.0005337484482429503,3.276675471454863e-05,1.8915033362236004e-06,1.820250218079873e-07,-1.2966959132199674e-07,-8.401909686961984e-07,6.32614311937908e-07,7.531229485381722e-07,0.97,5.591883483350333,5.7312292467740695,5.739466251551756,5.739967233245284,5.739998108496662,5.739999817974977,5.74000012966959,5.740000840190968,5.739999367385686,5.73999924687705,second
+273,1.55,93,3.069198684736983e+17,4.46,1.4951487660319727,126.4,Unknown,Enzyme,1,0.4922257209359324,0.40238102822981253,7.36,5.2720301682100175,5.155784118936815,5.147170162224541,5.146549594211964,5.146244516639859,5.146808981843601,5.146948169548708,5.145964181840395,5.146155128934674,5.147470700825164,2.87,0.7820301682100173,0.6657841189368141,0.6571701622245404,0.6565495942119637,0.6562445166398577,0.6568089818436001,0.6569481695487069,0.6559641818403938,0.6561551289346729,0.6574707008251631,1.92,4.007969831789984,4.124215881063186,4.13282983777546,4.133450405788037,4.133755483360142,4.1331910181564,4.1330518304512935,4.134035818159606,4.133844871065327,4.132529299174837,second
+276,12.28,94,2.409856469821891e+17,3.49,1.2499017362143359,82.7,Ring,Base,1,0.3902025459677373,0.21027181074400444,5.15,1.9035176560573475,1.7346410492191149,1.7180396093714225,1.7164028676440506,1.716688592617445,1.7159616078019289,1.7160899473568572,1.7180608218669045,1.7158066656561304,1.7170466996095481,0.81,0.81,0.81,0.81,0.81,0.81,0.81,0.81,0.81,0.81,0.81,3.75,5.373241171971325,5.457679475390442,5.465980195314288,5.4667985661779745,5.466655703691277,5.467019196099034,5.46695502632157,5.465969589066547,5.467096667171933,5.466476650195224,second
+277,6.85,91,2.7780654594569302e+17,2.02,0.7030975114131134,183.2,Branched,None,1,1.9186966141914747,0.9787489451469356,4.02,1.1630651931303868,1.1624136061371846,1.1613610469287563,1.163570271788875,1.1617894498947592,1.1622934402474718,1.1631275551888958,1.1615613460403955,1.1632856965134908,1.1632650604460564,0.13,0.13,0.13,0.13,0.13,0.13,0.13,0.13,0.13,0.13,0.13,1.22,2.648467403434806,2.648793196931407,2.649319476535621,2.6482148641055616,2.64910527505262,2.6488532798762634,2.648436222405551,2.6492193269798014,2.648357151743254,2.6483674697769715,second
+280,5.46,94,6.900981686892782e+16,2.96,1.085189268335969,101.2,Linear,Enzyme,0,0.2006146614660131,0.1388965758202709,8.29,7.060789399442484,6.013860270956679,5.120643445583846,4.3585193376362925,3.7107401343485797,3.1614150714437548,2.69547119671803,2.2986533700407743,1.9583114589636783,1.6679432761694333,4.97,4.97,4.97,4.97,4.97,4.97,4.97,4.97,4.97,4.97,4.97,1.99,1.99,1.99,1.99,1.99,1.99,1.99,1.99,1.99,1.99,1.99,first
+275,7.74,96,4.040595670501678e+17,3.06,1.1184149159642893,112.2,Unknown,Enzyme,0,0.23504382502716414,0.12078167105854896,7.69,0.937146127165338,0.6645371192142668,0.5434726451271872,0.470851963922201,0.4213802647802763,0.38455049243149136,0.35628348254510406,0.33337770006824496,0.3142571660755799,0.29809022334936475,3.26,3.26,3.26,3.26,3.26,3.26,3.26,3.26,3.26,3.26,3.26,4.4,6.650951290944888,6.7418209602619115,6.782175784957605,6.806382678692601,6.822873245073242,6.83514983585617,6.844572172484966,6.8522074333105865,6.858580944641474,6.863969925550213,third
+274,12.42,93,3.5696266900346515e+17,3.47,1.244154593958768,176.1,Ring,Acid,1,0.6648242427372085,0.451101811701916,9.51,9.201037985082687,9.20104544527083,9.200984093482457,9.200975066316131,9.2009120969642,9.200899566648745,9.200915243198613,9.200892331554284,9.200883503282093,9.200950314059543,0.19,0.035518992541342255,0.035522722635412673,0.03549204674122668,0.035487533158060976,0.03545604848209565,0.035449783324366796,0.035457621599302144,0.03544616577713833,0.03544175164104325,0.03547515702976794,4.27,4.424481007458656,4.424477277364584,4.424507953258771,4.424512466841934,4.424543951517899,4.424550216675627,4.424542378400693,4.424553834222857,4.424558248358953,4.424524842970228,third
+274,5.38,96,4.383886495647243e+17,3.54,1.264126727145683,122.1,Linear,None,1,0.21878149008867778,0.13681139009242155,1.05,0.7658963676513681,0.6539760685510879,0.6073469828632543,0.5878784041822107,0.5793133409770169,0.5759541177534221,0.574246301835864,0.5737730941556649,0.5734463903145456,0.5732968888802911,4.15,3.8658963676513682,3.753976068551088,3.707346982863254,3.687878404182211,3.679313340977017,3.675954117753422,3.6742463018358635,3.6737730941556648,3.6734463903145453,3.6732968888802904,2.89,3.1741036323486322,3.2860239314489124,3.3326530171367463,3.3521215958177897,3.3606866590229836,3.3640458822465784,3.365753698164137,3.3662269058443357,3.366553609685455,3.36670311111971,second
+273,12.6,96,1.4458132346678816e+17,2.53,0.9282193027394288,111.9,Ring,Enzyme,1,0.06183348602521946,0.04768105995940079,4.56,2.0049059096593487,1.549074901761796,1.3867768159418083,1.3191556513447393,1.2895617867296758,1.2753610566835456,1.269473474392341,1.266206840455349,1.2648747966836544,1.264499750369765,4.25,2.972452954829674,2.7445374508808977,2.663388407970904,2.6295778256723694,2.6147808933648378,2.6076805283417728,2.6047367371961703,2.6031034202276744,2.602437398341827,2.602249875184882,3.74,5.017547045170327,5.245462549119103,5.326611592029097,5.360422174327631,5.3752191066351624,5.382319471658228,5.38526326280383,5.386896579772326,5.387562601658174,5.387750124815118,third
+277,7.43,92,9.18093941347594e+16,4.47,1.4973884086254774,183.9,Linear,Base,0,0.4107441980207993,0.317369560498139,1.94,1.6114046415833605,1.282809283166721,0.9542139247500814,0.625618566333442,0.2970232079168026,-0.031572150499837415,-0.3601675089164771,-0.6887628673331159,-1.0173582257497562,-1.3459535841663952,4.78,4.78,4.78,4.78,4.78,4.78,4.78,4.78,4.78,4.78,4.78,2.87,3.1985953584166396,3.527190716833279,3.8557860752499185,4.184381433666558,4.512976792083197,4.841572150499838,5.170167508916477,5.498762867333116,5.827358225749756,6.1559535841663955,zero
+274,1.05,96,3.906280888345885e+17,4.23,1.4422019930581866,142.8,Unknown,None,0,0.19494618629058713,0.17152592622542145,7.89,7.73404305096753,7.57808610193506,7.422129152902591,7.266172203870121,7.110215254837652,6.9542583058051815,6.798301356772712,6.642344407740243,6.486387458707773,6.3304305096753035,0.31,0.31,0.31,0.31,0.31,0.31,0.31,0.31,0.31,0.31,0.31,1.54,1.6959569490324697,1.8519138980649392,2.007870847097409,2.163827796129879,2.3197847451623486,2.4757416941948183,2.631698643227288,2.7876555922597572,2.943612541292227,3.099569490324696,zero
+270,4.55,98,3.3273104339563866e+17,4.9,1.589235205116581,60.3,Branched,None,1,0.03648957987736449,0.03191926218339792,3.7,3.2119632945168153,2.8870925045608864,2.659865548227504,2.499243718125492,2.3834660450591927,2.2959625730883393,2.2308681283895657,2.182826220577608,2.1465756294248717,2.118412587813872,1.08,1.08,1.08,1.08,1.08,1.08,1.08,1.08,1.08,1.08,1.08,3.86,4.104018352741592,4.266453747719557,4.380067225886248,4.460378140937254,4.518266977470404,4.5620187134558305,4.5945659358052175,4.618586889711196,4.636712185287564,4.650793706093064,second
+273,5.27,97,2.9305861124480115e+17,4.96,1.601405740736836,153.5,Linear,Acid,1,0.08067211347311824,0.04861923653270447,5.41,3.475495365374847,3.077015686977568,2.927674046693705,2.8625326473763497,2.8323380091451997,2.817679930111136,2.8108872586580413,2.8073163337412237,2.805768994591421,2.804973140906152,1.54,0.5727476826874229,0.37350784348878346,0.2988370233468517,0.26626632368817416,0.25116900457259916,0.24383996505556724,0.24044362932901997,0.23865816687061106,0.2378844972957095,0.237486570453075,1.79,2.757252317312577,2.9564921565112163,3.0311629766531483,3.0637336763118257,3.078830995427401,3.086160034944433,3.08955637067098,3.0913418331293894,3.092115502704291,3.0925134295469254,third
+271,2.4,97,3.961809819696504e+17,4.82,1.572773928062509,176.4,Linear,Acid,0,0.07955852024158412,0.05464060937476077,6.12,5.929045330307232,5.801706614707113,5.71516072574816,5.65619945841013,5.615130823949693,5.586620935368325,5.566788156019587,5.552815208383348,5.543076788289259,5.536236222269114,0.6,0.4090453303072318,0.28170661470711267,0.19516072574815996,0.13619945841013012,0.09513082394969274,0.0666209353683245,0.04678815601958692,0.032815208383347644,0.023076788289258337,0.01623622226911359,3.61,3.8009546696927683,3.9282933852928874,4.01483927425184,4.07380054158987,4.114869176050307,4.1433790646316755,4.163211843980413,4.177184791616653,4.1869232117107416,4.1937637777308865,second
+272,12.08,90,2.6109052885682467e+17,3.43,1.2325602611778486,184.1,Unknown,None,0,1.3572076439279308,1.1549009082748565,2.38,1.2942338848576553,0.20846776971531056,-0.8772983454270344,-1.9630644605693783,-3.048830575711723,-4.134596690854069,-5.2203628059964124,-6.306128921138756,-7.3918950362811024,-8.477661151423444,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,4.59,5.675766115142345,6.76153223028469,7.847298345427035,8.933064460569378,10.018830575711723,11.10459669085407,12.190362805996411,13.276128921138756,14.361895036281101,15.447661151423445,zero
+280,7.8,95,3.911048024822578e+17,4.93,1.5953389880545987,151.0,Unknown,None,1,0.739921964825425,0.4938874288906039,3.11,2.8171062062785457,2.7112753243488643,2.670713525351867,2.6547422314699074,2.6497169656947674,2.6470067338292105,2.6468855190517777,2.64603382459284,2.6459975547026886,2.6463211684772543,0.65,0.65,0.65,0.65,0.65,0.65,0.65,0.65,0.65,0.65,0.65,3.5,3.792893793721454,3.8987246756511356,3.939286474648133,3.9552577685300925,3.9602830343052324,3.9629932661707894,3.963114480948222,3.96396617540716,3.9640024452973113,3.9636788315227456,first
+275,3.97,95,1.2571160601263414e+17,3.81,1.3376291891386096,162.0,Branched,Acid,0,0.11324781521473208,0.07929010430573355,6.43,6.289889081930603,6.212219771957491,6.168402135678596,6.143434326598967,6.129214687328397,6.121021582392858,6.116343172790544,6.113643788677272,6.112097263242083,6.111206092237179,0.32,0.1798890819306034,0.10221977195749127,0.05840213567859609,0.03343432659896685,0.019214687328396554,0.011021582392857592,0.006343172790543677,0.0036437886772708195,0.002097263242082013,0.0012060922371787057,3.53,3.6701109180693967,3.747780228042509,3.791597864321404,3.8165656734010334,3.830785312671604,3.8389784176071426,3.8436568272094567,3.8463562113227296,3.8479027367579186,3.848793907762822,second
+272,2.17,95,2.508811492366498e+17,2.45,0.8960880245566357,152.2,Unknown,None,0,0.14291997831227035,0.09252200472756285,2.48,1.0874584256928708,0.8089866684049107,0.6722247106715022,0.5880641345647684,0.5285279512763364,0.4844540192086682,0.4499320977076777,0.4215964753166739,0.39804419313881834,0.3780404636882874,1.05,1.05,1.05,1.05,1.05,1.05,1.05,1.05,1.05,1.05,1.05,3.28,3.744180524769043,3.8370044438650295,3.8825917631094993,3.9106452884784106,3.9304906829078874,3.94518199359711,3.956689300764107,3.966134508227775,3.9739852689537267,3.9806531787705706,third
+278,12.86,90,1.2395260686878723e+17,4.8,1.5686159179138452,170.3,Unknown,Enzyme,0,1.5210725916465337,0.9994359493243328,8.36,0.370545219213336,0.26215669389921537,0.21413844826904332,0.18531285858061838,0.16589162998240684,0.15135847819663234,0.14010542391899167,0.13113586347424763,0.12365227735795602,0.11727928673477317,4.71,4.71,4.71,4.71,4.71,4.71,4.71,4.71,4.71,4.71,4.71,2.4,5.063151593595554,5.0992811020335935,5.115287183910318,5.124895713806459,5.131369456672529,5.136213840601121,5.139964858693667,5.142954712175249,5.145449240880679,5.147573571088407,third
+272,2.2,100,2.1259270157488666e+17,2.03,0.7080357930536959,74.9,Linear,Base,0,0.01327220234564809,0.011714099441435595,2.24,2.216342032965847,2.192933931748078,2.1697730573907315,2.1468567986119305,2.1241825715287646,2.1017478206204485,2.079550016903115,2.057586657656778,2.0358552664253344,2.0143533930165622,4.51,4.51,4.51,4.51,4.51,4.51,4.51,4.51,4.51,4.51,4.51,4.24,4.263657967034153,4.287066068251923,4.310226942609268,4.3331432013880695,4.355817428471235,4.378252179379551,4.400449983096885,4.422413342343222,4.4441447335746656,4.465646606983438,first
+277,11.42,93,4.742713042684718e+17,1.49,0.3987761199573678,54.9,Unknown,Enzyme,0,1.3744585470891157,1.217572009594921,6.75,2.24838806190177,0.7488125320206156,0.2495475434358084,0.08319840677822012,0.027749120239083283,0.00925738580962161,0.003087996485256733,0.001029596593992087,0.00034330717518047884,0.00011466093416419926,3.68,3.68,3.68,3.68,3.68,3.68,3.68,3.68,3.68,3.68,3.68,2.15,6.651611938098231,8.151187467979385,8.650452456564192,8.816801593221783,8.87225087976092,8.89074261419038,8.896912003514746,8.89897040340601,8.89965669282482,8.899885339065836,first
+274,4.6,91,2.6069707009977203e+17,1.03,0.02955880224154443,138.8,Branched,Acid,1,1.1681771655295135,0.7716324412815109,3.89,0.9507361731503965,0.9498290817609238,0.9516462030812609,0.9499496057318765,0.9512741036336557,0.9501842266196976,0.9508854675077059,0.950576593278174,0.9505454261432236,0.9512731819820907,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.32,1.2997546089498686,1.3000569727463598,1.2994512656395807,1.3000167980893755,1.2995752987887828,1.299938591126769,1.2997048441640997,1.2998078022406103,1.2998181912855937,1.2995756060059713,third
+271,8.96,92,3.208726079580215e+17,4.73,1.5539252025038417,128.1,Unknown,Enzyme,0,0.5927878174897665,0.3421882476831105,9.55,5.5257838889438,5.345156172750041,5.33120985915596,5.330096823643198,5.3300076423385265,5.330000725772204,5.330000108955523,5.329999516245162,5.330000281301099,5.33000033605288,4.22,0.1957838889437991,0.015156172750040494,0.0012098591559598034,9.68236431982993e-05,7.642338526933996e-06,7.257722054730545e-07,1.0895552362931907e-07,-4.837548378688159e-07,2.813010999218459e-07,3.3605288018741473e-07,1.02,5.0442161110562,5.224843827249959,5.23879014084404,5.239903176356802,5.239992357661474,5.239999274227796,5.239999891044477,5.240000483754838,5.239999718698901,5.2399996639471205,second
+275,13.79,94,3.3088497679127616e+16,0.84,-0.1743533871447778,85.1,Ring,Acid,0,0.04616177635813614,0.04111866721627442,6.33,6.2930705789134915,6.256141157826982,6.219211736740474,6.182282315653965,6.1453528945674565,6.108423473480947,6.0714940523944385,6.034564631307929,5.9976352102214205,5.960705789134911,4.58,4.58,4.58,4.58,4.58,4.58,4.58,4.58,4.58,4.58,4.58,1.91,1.9469294210865087,1.9838588421730177,2.0207882632595267,2.0577176843460356,2.0946471054325446,2.1315765265190536,2.1685059476055626,2.2054353686920716,2.24236478977858,2.279294210865089,zero
+274,12.79,94,4.599608827504151e+17,2.61,0.959350221334602,144.0,Branched,Base,0,0.5522817453195624,0.4354450444210067,4.2,0.8941205335083368,0.5003951967615385,0.34728870377929566,0.26594620889393783,0.21564568265882783,0.18113705043770867,0.1562193603801826,0.1374505204289428,0.12256463760556967,0.11058874914704689,1.72,1.72,1.72,1.72,1.72,1.72,1.72,1.72,1.72,1.72,1.72,4.2,5.852939733245832,6.049802401619231,6.126355648110352,6.167026895553032,6.192177158670586,6.209431474781145,6.2218903198099085,6.231274739785529,6.2387176811972145,6.244705625426477,second
+272,12.72,100,3.2402527532342163e+17,3.79,1.332366019094335,75.0,Branched,None,1,0.02022895888399963,0.01605923061331208,4.74,4.061232478470471,3.6931734427660565,3.4539434121856742,3.292215736816624,3.1770028718051706,3.0939260832057447,3.031581395694013,2.984014946563082,2.9478267456529785,2.9199281050457677,1.45,1.1106162392352348,0.9265867213830278,0.8069717060928366,0.7261078684083112,0.6685014359025847,0.6269630416028719,0.5957906978470061,0.5720074732815402,0.5539133728264887,0.5399640525228833,3.93,4.269383760764765,4.4534132786169724,4.573028293907163,4.653892131591689,4.711498564097416,4.753036958397129,4.784209302152995,4.8079925267184604,4.8260866271735114,4.8400359474771175,third
+279,9.44,94,4.590537934245378e+17,2.58,0.9477893989335261,72.0,Ring,None,0,1.1546765964837107,0.9850655319040013,3.59,0.42288273365139445,0.2998696683627167,0.24516173578106518,0.21253717428840932,0.1900735206371984,0.1735396064286596,0.16080086916010916,0.15039323903906587,0.1417721570954311,0.1344814965334202,1.71,1.71,1.71,1.71,1.71,1.71,1.71,1.71,1.71,1.71,1.71,1.94,2.995705755449536,3.036710110545762,3.054946088072979,3.0658209419038642,3.073308826454268,3.0788201311904477,3.083066376946631,3.086535586986979,3.089409280968191,3.0918395011555275,third
+278,4.81,90,4.144371022304459e+17,3.81,1.3376291891386096,122.0,Linear,Acid,0,5.085725367853343,3.2743796592573315,7.6,1.4001766334218462,1.3999997689779309,1.3999999063853277,1.4000013018562842,1.4000009433172773,1.4000002866294,1.4000028800471203,1.399998993221705,1.4000022357015758,1.400000484364182,3.1,8.831671092286772e-05,-1.1551103478767484e-07,-4.680733640092701e-08,6.509281418176786e-07,4.7165863844918386e-07,1.4331469962514814e-07,1.4400235598445446e-06,-5.033891477565565e-07,1.1178507877247705e-06,2.4218209078204246e-07,2.22,5.319911683289078,5.320000115511037,5.320000046807338,5.31999934907186,5.319999528341363,5.3199998566853015,5.319998559976441,5.320000503389149,5.319998882149213,5.319999757817911,third
+270,6.63,95,3.6655820764974886e+17,4.15,1.423108334242607,142.6,Unknown,None,0,0.15297636614296992,0.11390773104870447,4.49,4.367618907085625,4.245237814171248,4.1228567212568725,4.000475628342497,3.878094535428121,3.755713442513745,3.633332349599369,3.5109512566849927,3.3885701637706167,3.2661890708562407,4.52,4.52,4.52,4.52,4.52,4.52,4.52,4.52,4.52,4.52,4.52,0.86,0.982381092914376,1.104762185828752,1.227143278743128,1.3495243716575038,1.4719054645718799,1.594286557486256,1.716667650400632,1.8390487433150078,1.961429836229384,2.08381092914376,zero
+273,12.38,90,7.505396602716195e+16,2.98,1.091923300517313,58.5,Branched,Base,1,0.45137833595985033,0.24005554857743408,3.89,3.409202066659942,3.1343150246150557,2.974521963857701,2.8844154507108155,2.8310889764387475,2.8011670290073547,2.784121042444843,2.7734191370443457,2.7680333844669818,2.765137926597867,1.29,1.29,1.29,1.29,1.29,1.29,1.29,1.29,1.29,1.29,1.29,4.06,4.540797933340057,4.8156849753849436,4.975478036142299,5.065584549289184,5.118911023561252,5.148832970992645,5.165878957555158,5.176580862955655,5.181966615533018,5.184862073402133,first
+270,8.39,92,2.4729525056193818e+17,1.02,0.01980262729617973,132.0,Branched,None,0,0.39273808520284986,0.20895092205332846,3.24,1.935188569313546,1.4716214298251555,1.240938450382655,1.1056608471082179,1.01927879505909,0.9608252211223017,0.919884744337261,0.8901891658335667,0.8685144249202016,0.8523325388630643,2.44,1.1351885693135457,0.6716214298251553,0.4409384503826547,0.3056608471082175,0.2192787950590898,0.1608252211223014,0.11988474433726068,0.09018916583356634,0.06851442492020127,0.05233253886306399,4.35,5.654811430686453,6.118378570174844,6.349061549617344,6.484339152891781,6.570721204940909,6.629174778877697,6.670115255662738,6.699810834166432,6.7214855750797975,6.737667461136935,second
+275,6.97,90,2.9747636598495366e+17,4.35,1.4701758451005926,56.6,Linear,Enzyme,1,2.3870524053552145,1.547613056590847,1.01,0.5325087075880632,0.5329005811790134,0.5333401603921604,0.5326491810885697,0.5328603109785565,0.5337396966150962,0.5331507299540086,0.53257335851222,0.5327795025261424,0.5332469944155536,3.66,3.4212543537940316,3.4214502905895063,3.4216700801960798,3.4213245905442853,3.4214301554892783,3.421869848307548,3.421575364977004,3.4212866792561103,3.421389751263071,3.421623497207776,1.26,1.498745646205968,1.4985497094104931,1.4983299198039195,1.4986754094557146,1.4985698445107214,1.4981301516924515,1.4984246350229955,1.4987133207438899,1.4986102487369288,1.4983765027922233,third
+279,8.85,96,4.739489196655798e+16,4.43,1.4883995840570443,127.5,Linear,Base,1,0.05033533147338378,0.03954243351706019,8.06,7.848474403296663,7.651624261506728,7.468425494211414,7.297914456018945,7.139234994276217,6.991581770197843,6.854192898862889,6.72634994921487,6.607377944061755,6.49664536007596,3.81,3.81,3.81,3.81,3.81,3.81,3.81,3.81,3.81,3.81,3.81,3.33,3.5415255967033374,3.738375738493272,3.9215745057885862,4.092085543981056,4.250765005723784,4.398418229802157,4.535807101137111,4.66365005078513,4.782622055938246,4.8933546399240395,first
+274,3.7,91,4.678997799062906e+17,3.79,1.332366019094335,115.5,Unknown,None,1,2.0966474169948555,1.4391827051851256,2.06,1.4871287518822847,1.488026402315679,1.4894437193565606,1.4875243297099674,1.4882059535492904,1.4897066402121366,1.4868620164114439,1.4891711202927538,1.4883519942121262,1.4883959199780892,3.28,3.28,3.28,3.28,3.28,3.28,3.28,3.28,3.28,3.28,3.28,4.61,4.800957082705907,4.8006578658947765,4.800185426881151,4.800825223430016,4.800598015483576,4.800097786595961,4.801045994529526,4.800276293235757,4.800549335262632,4.800534693340644,third
+276,13.73,97,4.509440688593259e+17,3.67,1.3001916620664788,115.1,Linear,None,1,0.19753009320770362,0.16993776949326808,8.28,8.28383390685607,8.284381062099015,8.284623350156068,8.284746515999784,8.284684529106656,8.284845237852458,8.284678105530366,8.284700410589453,8.284814516561587,8.284558105945196,0.19,0.1938339068560707,0.1943810620990168,0.1946233501560687,0.19474651599978487,0.19468452910665707,0.19484523785245866,0.19467810553036738,0.19470041058945328,0.1948145165615861,0.194558105945196,1.88,1.8761660931439292,1.875618937900983,1.8753766498439313,1.875253484000215,1.8753154708933428,1.8751547621475413,1.8753218944696326,1.8752995894105466,1.8751854834384138,1.8754418940548039,second
+279,3.67,99,1.0015855312690322e+17,3.4,1.2237754316221157,71.9,Linear,Base,0,0.02918410344442489,0.0215108757055328,5.52,5.501890733926706,5.486013857646325,5.4720652515293216,5.459795430231027,5.44902613262384,5.439588057132543,5.4313199867478135,5.424068789026219,5.417689416090219,5.412045364060389,0.15,0.13189073392670642,0.1160138576463257,0.10206525152932233,0.08979543023102779,0.07902613262384,0.06958805713254326,0.06131998674781367,0.05406878902621922,0.04768941609021972,0.04204536406038957,0.27,0.28810926607329357,0.30398614235367427,0.31793474847067765,0.33020456976897217,0.34097386737616,0.3504119428674567,0.3586800132521863,0.36593121097378073,0.3723105839097802,0.37795463593961043,second
+274,6.04,98,5.76476932365474e+16,1.01,0.009950330853168092,133.9,Branched,Base,0,0.011957618498681903,0.006354062196699641,1.56,1.5504339052010545,1.540867810402109,1.5313017156031634,1.5217356208042179,1.5121695260052723,1.5026034312063268,1.4930373364073812,1.4834712416084357,1.4739051468094901,1.4643390520105446,1.36,1.36,1.36,1.36,1.36,1.36,1.36,1.36,1.36,1.36,1.36,0.77,0.7795660947989456,0.7891321895978911,0.7986982843968367,0.8082643791957821,0.8178304739947276,0.8273965687936732,0.8369626635926187,0.8465287583915643,0.8560948531905097,0.8656609479894553,zero
+278,11.89,100,2.6538041379090957e+17,1.36,0.3074846997479607,115.9,Unknown,Base,0,0.043028023355483815,0.025897030157686032,5.33,2.038226413981826,1.4961598862724215,1.2386995206072962,1.0792577306946445,0.9700690683559985,0.8873899214579426,0.8231703550243729,0.7716290927581186,0.7283303444673946,0.6914380275603962,4.42,4.42,4.42,4.42,4.42,4.42,4.42,4.42,4.42,4.42,4.42,2.4,3.497257862006058,3.6779467045758594,3.7637668264642343,3.8169140897684515,3.853310310548,3.880870026180686,3.902276548325209,3.919456969080627,3.933889885177535,3.9461873241465346,third
+272,4.66,97,4.162925400139116e+17,3.34,1.205970806988609,37.8,Ring,Base,1,0.09793353531582633,0.06379130908495663,5.76,3.148191534384917,2.293134064707753,1.906398622244108,1.7063636858588567,1.593886345847823,1.5303965219279076,1.4919373652474086,1.4695945035766296,1.4563117348058345,1.447975413407008,4.48,4.48,4.48,4.48,4.48,4.48,4.48,4.48,4.48,4.48,4.48,1.0,2.3059042328075416,2.7334329676461233,2.926800688877946,3.0268181570705717,3.0830568270760885,3.114801739036046,3.1340313173762957,3.1452027482116853,3.1518441325970827,3.156012293296496,second
+277,5.21,100,3.0313798859910694e+17,1.32,0.27763173659827955,183.5,Linear,Base,1,0.04204250013896992,0.03160480439449653,2.59,2.12491903878293,1.9060771441616846,1.7823834181268334,1.7096325767507208,1.6665312244895123,1.6399016254505898,1.6227755214153707,1.6126669699398382,1.6061941409581602,1.6018599763482764,2.1,1.8674595193914652,1.7580385720808425,1.6961917090634169,1.6598162883753607,1.6382656122447563,1.624950812725295,1.6163877607076855,1.6113334849699192,1.6080970704790802,1.6059299881741385,4.92,5.152540480608534,5.261961427919157,5.323808290936583,5.3601837116246385,5.381734387755243,5.395049187274704,5.403612239292314,5.40866651503008,5.411902929520919,5.414070011825861,third
+279,6.42,100,4.6186041511311264e+17,2.25,0.8109302162163288,92.3,Branched,Acid,0,0.08744628452553124,0.04745383916894542,9.98,2.7788574069660794,2.0606531264456898,1.731693180599899,1.533992845985839,1.399047052993099,1.2993757141527933,1.2215877257502408,1.1595691085533786,1.1084598833246704,1.0650245202035689,4.71,1.109428703483039,0.7503265632228442,0.5858465902999488,0.4869964229929188,0.4195235264965488,0.36968785707639595,0.33079386287511975,0.2997845542766886,0.2742299416623345,0.25251226010178374,2.77,6.370571296516961,6.729673436777156,6.894153409700052,6.993003577007081,7.060476473503451,7.110312142923604,7.14920613712488,7.180215445723311,7.205770058337666,7.2274877398982165,third
+277,4.11,93,7.350526638113832e+16,0.67,-0.40047756659712525,151.6,Linear,Enzyme,0,0.2130214093164438,0.15520196125358354,4.01,1.3427154617804427,0.9289815124969335,0.7347173118139412,0.6177825883367138,0.5370765994969021,0.47827607785947374,0.4323447155565517,0.39551474790453744,0.36537680896898284,0.340027949904132,2.43,1.0963577308902217,0.889490756248467,0.7923586559069709,0.7338912941683572,0.6935382997484513,0.6641380389297371,0.6411723577782761,0.6227573739522689,0.6076884044844916,0.5950139749520662,0.8,2.1336422691097785,2.340509243751533,2.437641344093029,2.4961087058316425,2.5364617002515484,2.5658619610702624,2.5888276422217236,2.6072426260477304,2.622311595515508,2.6349860250479336,third
+275,13.04,100,2.3802628468637498e+17,2.53,0.9282193027394288,199.6,Branched,Acid,1,0.024072674686758503,0.021395249622797315,2.49,2.135888545025569,1.9054289251267,1.7422884263266427,1.6234643276832021,1.5329408488508325,1.4617724777390737,1.405901377509257,1.3615836496660312,1.3255196778458864,1.2958003750767446,2.08,1.9029442725127848,1.78771446256335,1.7061442131633213,1.6467321638416013,1.601470424425416,1.565886238869537,1.5379506887546286,1.5157918248330156,1.4977598389229432,1.4829001875383723,1.42,1.5970557274872155,1.71228553743665,1.7938557868366787,1.8532678361583987,1.898529575574584,1.934113761130463,1.9620493112453714,1.9842081751669844,2.002240161077057,2.017099812461628,third
+277,11.69,95,2.851151947708297e+17,0.68,-0.3856624808119846,149.5,Branched,None,1,0.3467098053342717,0.29289854551176914,8.21,1.8881554706144101,1.8453812727717296,1.843492205597215,1.8426267252790478,1.8462398392885824,1.8443240234453184,1.8433047383547398,1.842765741784952,1.8445678934615684,1.844254332362358,4.29,1.1290777353072048,1.1076906363858643,1.106746102798607,1.1063133626395234,1.1081199196442908,1.1071620117226588,1.1066523691773693,1.1063828708924754,1.1072839467307838,1.1071271661811786,1.27,4.4309222646927955,4.452309363614137,4.453253897201393,4.4536866373604775,4.45188008035571,4.4528379882773415,4.4533476308226305,4.453617129107524,4.452716053269216,4.452872833818821,third
+276,10.11,100,2.317507026977236e+17,4.48,1.4996230464268938,171.6,Unknown,Base,0,0.02746270532150111,0.014954014447469688,9.09,8.892469043886383,8.699230551856378,8.510191246082746,8.32525980464538,8.14434697306064,7.967365550720341,7.7942301319023075,7.624857102592136,7.459164640483186,7.297072714976586,4.32,4.32,4.32,4.32,4.32,4.32,4.32,4.32,4.32,4.32,4.32,1.55,1.55,1.55,1.55,1.55,1.55,1.55,1.55,1.55,1.55,1.55,first
+271,11.3,94,4.486720869695186e+16,1.52,0.41871033485818504,137.9,Ring,None,0,0.034118211438934135,0.02818332886978972,3.26,3.1527742928117455,3.0575009402106583,2.972348208920906,2.8958528406887,2.826987681682932,2.7648245964127245,2.7085208145912723,2.65731893113584,2.6105469061677655,2.5676180650124567,1.28,1.172774292811746,1.0775009402106588,0.9923482089209068,0.9158528406887005,0.8469876816829324,0.784824596412725,0.7285208145912725,0.6773189311358405,0.630546906167766,0.5876180650124571,2.15,2.257225707188254,2.3524990597893414,2.4376517910790936,2.5141471593112996,2.583012318317068,2.645175403587275,2.7014791854087274,2.7526810688641596,2.799453093832234,2.842381934987543,second
+273,10.56,99,2.900690461375272e+17,4.3,1.4586150226995167,27.3,Unknown,None,1,0.03308149731687028,0.02198882638136898,7.27,5.498934331517177,5.003597610270247,4.796466808846366,4.697892823493387,4.648471268640536,4.62275729302779,4.609290751751349,4.602188592878318,4.598438698078523,4.5964113573808465,1.45,0.5644671657585879,0.3167988051351233,0.21323340442318256,0.16394641174669328,0.13923563432026798,0.12637864651389477,0.11964537587567395,0.11609429643915851,0.11421934903926105,0.11320567869042275,2.22,3.1055328342414117,3.3532011948648766,3.456766595576817,3.5060535882533066,3.530764365679732,3.543621353486105,3.5503546241243256,3.553905703560841,3.5557806509607386,3.5567943213095767,third
+280,10.63,95,1.0896744030254864e+17,4.42,1.4861396960896067,118.6,Ring,None,0,0.20615293399348275,0.17763634497573444,7.47,7.305077652805214,7.140155305610428,6.975232958415641,6.810310611220856,6.645388264026069,6.480465916831283,6.315543569636496,6.1506212224417105,5.985698875246924,5.8207765280521375,3.73,3.73,3.73,3.73,3.73,3.73,3.73,3.73,3.73,3.73,3.73,3.02,3.1849223471947865,3.3498446943895726,3.5147670415843586,3.6796893887791446,3.844611735973931,4.009534083168718,4.174456430363504,4.33937877755829,4.504301124753076,4.669223471947863,zero
+270,8.07,91,4.086554163691082e+16,1.76,0.5653138090500605,26.9,Unknown,None,1,0.10132418500708597,0.051859695939548076,1.02,0.9815833802970605,0.9548642044480726,0.9360397683841047,0.9224526393643564,0.9130085404122616,0.9066245937170184,0.901979079728166,0.8984022948045436,0.8958518546749547,0.8940293015057923,3.3,3.3,3.3,3.3,3.3,3.3,3.3,3.3,3.3,3.3,3.3,1.48,1.4992083098514697,1.5125678977759638,1.5219801158079478,1.5287736803178218,1.5334957297938692,1.536687703141491,1.5390104601359171,1.5407988525977283,1.5420740726625228,1.542985349247104,second
+275,11.75,91,4.406773761313822e+17,4.45,1.4929040961781488,159.8,Unknown,None,1,2.2833854816198333,1.2038495563024363,6.51,1.3317327595225283,1.3311106448794277,1.3319048564275626,1.3318753609160368,1.331998052738596,1.332258024282665,1.332355340364364,1.332579253199176,1.3326435084528132,1.332081205793225,0.4,0.4,0.4,0.4,0.4,0.4,0.4,0.4,0.4,0.4,0.4,2.75,4.476089080159156,4.476296451706854,4.476031714524143,4.476041546361319,4.476000649087133,4.475913991905777,4.475881553211876,4.475806915600271,4.475785497182391,4.4759729314022545,third
+279,2.65,91,1.8893542381937357e+17,2.35,0.8544153281560676,136.6,Ring,Acid,0,1.7321809434567963,1.008250108145033,3.93,0.9842109311824027,0.2463476256724787,0.06179087245189878,0.015456621421635928,0.0038769493971327635,0.0009704832773575266,0.00024289036005262476,6.101536215887773e-05,1.5368078696516473e-05,3.916325418872029e-06,3.73,3.73,3.73,3.73,3.73,3.73,3.73,3.73,3.73,3.73,3.73,1.12,1.12,1.12,1.12,1.12,1.12,1.12,1.12,1.12,1.12,1.12,first
+272,9.94,94,1.3942813582668642e+17,3.86,1.3506671834767394,41.4,Unknown,Acid,1,0.1236008295664013,0.10407036803567042,7.8,7.403909140300506,7.073787025412923,6.798017604492653,6.5672890942947335,6.375556116323186,6.217000773457985,6.085940137397459,5.976826248658291,5.884627892170292,5.807478654404324,4.1,4.1,4.1,4.1,4.1,4.1,4.1,4.1,4.1,4.1,4.1,4.06,4.4560908596994935,4.786212974587077,5.061982395507346,5.292710905705266,5.484443883676813,5.642999226542014,5.774059862602541,5.883173751341708,5.975372107829707,6.052521345595675,first
+270,2.63,98,1.1465989999351386e+17,3.47,1.244154593958768,181.7,Linear,None,1,0.012574395033435552,0.006926019000501426,8.69,8.603920880683047,8.519174199272163,8.435739309709708,8.353595931441061,8.272724090307536,8.193104107398112,8.114716599049432,8.037542476845804,7.961562947619201,7.88675951344926,1.52,1.52,1.52,1.52,1.52,1.52,1.52,1.52,1.52,1.52,1.52,0.12,0.20607911931695233,0.2908258007278371,0.37426069029029146,0.4564040685589381,0.537275909692463,0.6168958926018874,0.6952834009505677,0.7724575231541959,0.8484370523807991,0.92324048655074,first
+280,11.21,94,1.3995672018831595e+17,1.71,0.5364933705145685,157.6,Ring,Acid,0,0.4068605209285024,0.3367944253965042,4.92,1.1727645131251965,0.6661611881920129,0.46504867074338896,0.3573064329609103,0.29022467713563727,0.2441745863519156,0.2107365519038129,0.18557392900336817,0.16558835339686692,0.1494766472044748,4.72,4.72,4.72,4.72,4.72,4.72,4.72,4.72,4.72,4.72,4.72,0.71,2.5836177434374017,2.8369194059039935,2.9374756646283053,2.9913467835195444,3.024887661432181,3.0479127068240417,3.064631724048093,3.0772130354983154,3.087205823301566,3.095261676397762,second
+274,7.89,93,2.097573627709777e+17,3.3,1.1939224684724346,84.0,Unknown,Acid,0,0.39066208310263245,0.2514632213128812,4.31,0.7225448925042035,0.5143247461771998,0.4208138095163739,0.3645958127756557,0.32650731577535463,0.29813138071190026,0.2759752298852422,0.25831376778632253,0.2436926294900047,0.23116564498149958,3.63,3.63,3.63,3.63,3.63,3.63,3.63,3.63,3.63,3.63,3.63,3.77,4.965818369165265,5.0352250846076,5.0663953968278745,5.085134729074781,5.097830894741548,5.107289539762699,5.1146749233715845,5.120562077404558,5.125435790169997,5.129611451672832,third
+278,4.56,95,4.193478322870526e+17,2.44,0.8919980393051105,45.5,Linear,None,1,0.5915109718598524,0.49137843819781524,3.87,2.044068362887899,2.0248596442768045,2.0243041344155075,2.026353826622583,2.0239136035210894,2.025171316566867,2.0279509439232233,2.0242956194150006,2.023780425443277,2.0249234903503286,3.95,3.95,3.95,3.95,3.95,3.95,3.95,3.95,3.95,3.95,3.95,4.01,4.92296581855605,4.932570177861598,4.932847932792246,4.931823086688708,4.933043198239456,4.932414341716567,4.931024528038389,4.9328521902925,4.9331097872783625,4.932538254824837,second
+275,6.46,96,7.142536914144782e+16,0.59,-0.527632742082372,150.2,Ring,Enzyme,0,0.041548557034657894,0.03106913029633666,5.0,4.836537469660237,4.678418946461102,4.525469595324656,4.377519892439835,4.234407102760367,4.095973547003982,3.9620662767725827,3.832537074552251,3.7072424537132473,3.5860436585100075,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,3.37,3.533462530339763,3.6915810535388984,3.8445304046753437,3.9924801075601652,4.135592897239633,4.274026452996018,4.407933723227417,4.537462925447749,4.662757546286753,4.783956341489993,first
+278,11.08,98,3.2977714851491546e+17,0.9,-0.10536051565782628,153.5,Ring,Base,1,0.12702974803495412,0.09452317333629202,8.0,6.655147586056065,6.130064094575576,5.899082025002789,5.792289027528704,5.742040917719163,5.71749954730685,5.706012024787777,5.700160519815892,5.697664661228291,5.696250334762223,3.01,1.665147586056066,1.140064094575576,0.9090820250027892,0.8022890275287049,0.7520409177191633,0.7274995473068494,0.7160120247877767,0.7101605198158921,0.7076646612282914,0.7062503347622233,3.09,4.434852413943934,4.959935905424423,5.19091797499721,5.297710972471295,5.347959082280836,5.372500452693149,5.383987975212222,5.389839480184107,5.392335338771708,5.393749665237776,second
+280,11.3,93,3.925569550385504e+17,2.86,1.0508216248317612,129.1,Unknown,Enzyme,0,1.7535311860450877,1.0082668433647808,6.49,0.34493426898464874,0.24396756919817952,0.19928176838496808,0.17269701826968176,0.15439532169136685,0.14094866473112477,0.13058361494014614,0.12211676357035592,0.1151090090826652,0.10918364747180187,0.75,0.75,0.75,0.75,0.75,0.75,0.75,0.75,0.75,0.75,0.75,0.2,2.248355243671784,2.2820108102672734,2.2969060772050107,2.305767660576773,2.311868226102878,2.316350445089625,2.319805461686618,2.3226277454765483,2.324963663639112,2.3269387841760665,third
+270,8.4,91,3.456768627117957e+17,2.28,0.8241754429663494,152.3,Ring,Acid,1,0.8570894936687483,0.5184756683186885,2.26,1.6593983371649301,1.6553970671551237,1.6552887278321056,1.656998758081408,1.6548479408427994,1.6577844566390623,1.6548496028749518,1.6571180729785608,1.6545660240101976,1.6575895423250626,3.98,3.98,3.98,3.98,3.98,3.98,3.98,3.98,3.98,3.98,3.98,4.23,4.530300831417534,4.532301466422438,4.532355636083947,4.531500620959296,4.532576029578601,4.531107771680468,4.532575198562524,4.531440963510719,4.532716987994901,4.531205228837467,second
+278,3.56,100,1.81449287256821e+17,1.32,0.27763173659827955,155.1,Unknown,Enzyme,0,0.029419669893475095,0.017599688910880304,2.34,2.3164642640852198,2.2929285281704397,2.2693927922556596,2.2458570563408795,2.2223213204260994,2.1987855845113193,2.1752498485965392,2.151714112681759,2.128178376766979,2.104642640852199,1.15,1.15,1.15,1.15,1.15,1.15,1.15,1.15,1.15,1.15,1.15,2.47,2.4935357359147803,2.5170714718295604,2.5406072077443405,2.5641429436591205,2.5876786795739006,2.6112144154886807,2.634750151403461,2.658285887318241,2.681821623233021,2.705357359147801,zero
+274,10.29,94,1.423980756865226e+17,4.68,1.5432981099295553,41.7,Ring,Enzyme,0,0.17097944786094718,0.1192242212884322,3.7,1.0600625316536851,0.7650565667121862,0.6295153560301461,0.5467985592275589,0.49050179498974145,0.4481025146341128,0.4153521280214611,0.38906999476290166,0.36698209492649225,0.34824130900110695,4.5,4.5,4.5,4.5,4.5,4.5,4.5,4.5,4.5,4.5,4.5,1.71,2.589979156115439,2.6883144777626047,2.733494881323285,2.7610671469241477,2.7798327350034198,2.793965828455296,2.804882623992847,2.8136433350790333,2.821005968357836,2.827252896999631,third
+273,4.41,95,4.693642729621756e+17,4.37,1.4747630091074988,35.3,Unknown,None,1,0.31186321584883786,0.253121154266438,9.59,2.4713273359310763,2.2107530092531493,2.187189144746353,2.18498088683461,2.1849286943930823,2.1856284465376534,2.183634544065303,2.1862756998852886,2.1864101344729776,2.18560038575066,0.25,0.25,0.25,0.25,0.25,0.25,0.25,0.25,0.25,0.25,0.25,2.18,5.739336332034463,5.869623495373427,5.8814054276268255,5.882509556582697,5.882535652803461,5.882185776731175,5.88318272796735,5.881862150057358,5.881794932763513,5.882199807124672,second
+271,7.51,93,1.916035289541114e+17,4.71,1.5496879080283263,138.6,Ring,Enzyme,0,0.2270991029448333,0.15646383753838788,7.47,7.288320717644133,7.1066414352882665,6.9249621529324,6.743282870576533,6.561603588220667,6.3799243058648,6.1982450235089335,6.016565741153067,5.8348864587972,5.653207176441334,0.7,0.7,0.7,0.7,0.7,0.7,0.7,0.7,0.7,0.7,0.7,4.95,5.131679282355867,5.313358564711733,5.4950378470676,5.676717129423467,5.858396411779333,6.0400756941352,6.2217549764910665,6.403434258846933,6.5851135412028,6.766792823558666,zero
+270,7.69,96,4.5813227203002835e+17,0.89,-0.11653381625595151,108.9,Unknown,Enzyme,0,0.12246265219340051,0.08656199022145457,1.78,1.150362024952361,0.780695018182893,0.5449826372172645,0.3878112929214502,0.27927874979503875,0.20329177089919304,0.14857071387649332,0.10920834886354236,0.08060117128069894,0.05955096564971004,4.8,4.170362024952361,3.8006950181828927,3.564982637217264,3.40781129292145,3.299278749795038,3.2232917708991926,3.168570713876493,3.129208348863542,3.1006011712806987,3.0795509656497098,3.52,4.149637975047639,4.519304981817108,4.755017362782736,4.91218870707855,5.020721250204962,5.096708229100807,5.1514292861235065,5.190791651136458,5.219398828719301,5.2404490343502905,second
+279,1.11,98,2.82357208578154e+17,4.69,1.545432582458188,72.8,Branched,Acid,0,0.12661492072509373,0.06461792273433863,7.65,6.913067946386785,6.2471276059433505,5.645179699025096,5.1008680070847765,4.609047816397401,4.164905352209299,3.763909020441633,3.401809407690395,3.074639281226406,2.778713588995321,2.24,2.24,2.24,2.24,2.24,2.24,2.24,2.24,2.24,2.24,2.24,2.34,2.34,2.34,2.34,2.34,2.34,2.34,2.34,2.34,2.34,2.34,first
+272,10.35,95,4.87027036353813e+17,3.16,1.1505720275988207,179.1,Branched,Acid,1,0.27744568966207495,0.2388868763425786,4.02,1.9433371313761647,1.694920296512562,1.650194366965304,1.6414870001341237,1.6393854732019326,1.6392362436323347,1.6390298166958808,1.6392944752308367,1.638545546071181,1.6402020333065812,3.9,3.9,3.9,3.9,3.9,3.9,3.9,3.9,3.9,3.9,3.9,1.93,2.9683314343119176,3.092539851743719,3.114902816517348,3.119256499932938,3.120307263399034,3.120381878183833,3.1204850916520597,3.1203527623845817,3.1207272269644095,3.1198989833467095,second
+276,4.01,90,7.367741357701798e+16,1.58,0.4574248470388755,178.0,Branched,None,1,0.6818430265771606,0.4105008022827307,3.61,1.41080499825723,1.4098692331893925,1.409919277927747,1.4100294558534532,1.4102519943108844,1.4103035041235232,1.4106398649453475,1.4106859746159348,1.4110508746554489,1.4110604764432997,0.35,0.35,0.35,0.35,0.35,0.35,0.35,0.35,0.35,0.35,0.35,3.93,4.663065000580922,4.663376922270201,4.663360240690749,4.663323514715514,4.663249335229704,4.663232165292158,4.663120045018217,4.663104675128021,4.662983041781517,4.662979841185566,third
+272,3.48,90,3.599459953361949e+17,1.11,0.10436001532424286,171.6,Ring,Enzyme,1,1.8710807259478324,1.60589161831208,5.87,3.3830904469162952,3.2291237415930722,3.21998147869858,3.219224227146103,3.2165515374477884,3.221104855395554,3.2212271722609023,3.2206166570970622,3.2195301277467565,3.219589704102288,4.28,4.28,4.28,4.28,4.28,4.28,4.28,4.28,4.28,4.28,4.28,1.1,3.5869095530837054,3.7408762584069284,3.7500185213014205,3.7507757728538977,3.753448462552212,3.7488951446044467,3.7487728277390984,3.7493833429029384,3.750469872253244,3.7504102958977126,first
+277,4.66,99,1.0080951676487328e+17,1.57,0.45107561936021673,168.6,Ring,Acid,1,0.021583865245342018,0.012889485009214805,3.21,3.164280174851414,3.1198040150346444,3.076537677240528,3.0344481816826,2.9935036052187054,2.953672863059971,2.9149256597295463,2.8772324890626004,2.8405646342063244,2.8048941676199313,4.96,4.96,4.96,4.96,4.96,4.96,4.96,4.96,4.96,4.96,4.96,0.88,0.9257198251485861,0.9701959849653556,1.0134623227594717,1.0555518183173997,1.0964963947812945,1.1363271369400285,1.1750743402704535,1.2127675109373992,1.249435365793675,1.2851058323800686,first
+275,3.51,99,2.497361934819868e+17,3.08,1.1249295969854831,181.5,Unknown,None,1,0.03911397218954396,0.026985333957101777,8.8,8.574477106505404,8.360569959941603,8.157676568329324,7.965227176953132,7.782692196114069,7.609564930486843,7.445360974026299,7.289618209967418,7.141896810825315,7.001779238395245,4.66,4.66,4.66,4.66,4.66,4.66,4.66,4.66,4.66,4.66,4.66,2.03,2.255522893494596,2.4694300400583966,2.6723234316706757,2.8647728230468674,3.0473078038859303,3.2204350695131567,3.384639025973701,3.540381790032582,3.6881031891746843,3.8282207616047548,first
+279,1.24,98,3.201403828694897e+16,2.2,0.7884573603642703,148.7,Linear,Base,0,0.014355769205269637,0.010755839055504679,3.49,3.4501479729637587,3.410751013022232,3.3718039238369486,3.333301567829652,3.295238866008161,3.257610799779116,3.220412406601566,3.183638779598101,3.147285067554858,3.111346474921514,0.27,0.27,0.27,0.27,0.27,0.27,0.27,0.27,0.27,0.27,0.27,4.74,4.779852027036242,4.819248986977768,4.858196076163052,4.896698432170349,4.93476113399184,4.972389200220884,5.009587593398435,5.0463612204018995,5.082714932445143,5.118653525078487,first
+273,3.66,99,1.5185512000186893e+17,0.71,-0.342490308946776,154.8,Branched,Acid,0,0.01731861710784908,0.01000679531716217,7.73,3.1708989773607374,2.3423738404049006,1.9425518327932276,1.6948391929093276,1.5238867909559999,1.3957804107350438,1.2945394166760864,1.213288643049928,1.1461048770947277,1.0884290747292364,4.56,4.56,4.56,4.56,4.56,4.56,4.56,4.56,4.56,4.56,4.56,2.04,3.559700340879754,3.8358753865316997,3.969149389068924,4.051720269030224,4.108704403014666,4.151406529754985,4.185153527774638,4.212237118983357,4.23463170763509,4.253856975090255,third
+270,7.51,100,3.805648614498026e+17,2.71,0.9969486348916096,135.0,Linear,None,0,0.01712249285477581,0.013350262133304376,4.81,4.744561856209669,4.680013972525856,4.616344237451528,4.553540702436612,4.491591580907799,4.430485254767346,4.370210259984658,4.310755285132565,4.2521091713873265,4.194260912528632,1.47,1.47,1.47,1.47,1.47,1.47,1.47,1.47,1.47,1.47,1.47,3.36,3.36,3.36,3.36,3.36,3.36,3.36,3.36,3.36,3.36,3.36,first
+276,8.09,96,2.5591671174914778e+17,1.35,0.30010459245033816,56.3,Linear,Acid,0,0.17332931227137957,0.14364245891510338,2.59,2.322245306113381,2.214577194729174,2.163914742991103,2.138417484948382,2.125167395745285,2.1181294334389893,2.1143692589624923,2.1123575376867674,2.111269180853794,2.1106858396333057,0.24,0.10612265305669062,0.05228859736458714,0.026957371495551576,0.014208742474191181,0.007583697872642521,0.004064716719494774,0.0021846294812462533,0.0011787688433837716,0.0006345904268970368,0.0003429198166530319,1.54,1.6738773469433095,1.727711402635413,1.7530426285044485,1.765791257525809,1.7724163021273576,1.7759352832805053,1.7778153705187538,1.7788212311566163,1.779365409573103,1.7796570801833471,third
+272,13.2,97,4.928334494982582e+17,3.03,1.1085626195212777,104.5,Branched,None,0,0.1159399157852919,0.09031695145020736,6.11,1.3125981318231452,0.9385104939376554,0.7696924540171444,0.6674036428475755,0.5981138045524327,0.5460418061464467,0.5058699842823465,0.4736924584183437,0.4466824049216748,0.42377433285737637,2.15,2.15,2.15,2.15,2.15,2.15,2.15,2.15,2.15,2.15,2.15,2.45,4.049133956058951,4.173829835354115,4.230102515327619,4.2641987857174755,4.287295398482523,4.304652731284518,4.318043338572552,4.328769180527219,4.337772531692775,4.345408555714208,third
+275,10.33,91,3.940483308653719e+17,3.28,1.1878434223960523,146.3,Branched,Base,0,2.0417754268516517,1.3048979065416637,5.82,0.29186937743730534,0.14979507510261353,0.1007219056173378,0.07583985812477304,0.06080316163003769,0.05077996256225574,0.04358188373469137,0.03814245297296314,0.033952612744220574,0.030586409036800283,2.4,2.4,2.4,2.4,2.4,2.4,2.4,2.4,2.4,2.4,2.4,3.72,6.484065311281348,6.555102462448694,6.579639047191332,6.592080070937614,6.599598419184982,6.604610018718874,6.608209058132656,6.610928773513519,6.613023693627891,6.614706795481601,second
+279,13.23,92,2.638241354041538e+16,1.66,0.5068176023684519,182.6,Linear,Base,1,0.15716892909373328,0.10653131747834935,1.18,1.0551591155681985,0.9900566147577081,0.9521755293981434,0.9311262661471372,0.918600492182901,0.9114743747914655,0.9076094051403804,0.9050332372547362,0.9036035635236864,0.9028308512421858,0.18,0.18,0.18,0.18,0.18,0.18,0.18,0.18,0.18,0.18,0.18,1.06,1.1224204422159008,1.154971692621146,1.1739122353009284,1.1844368669264314,1.1906997539085495,1.1942628126042674,1.1961952974298098,1.197483381372632,1.1981982182381568,1.1985845743789072,second
+272,6.93,99,2.5200925537920333e+17,1.89,0.636576829071551,159.5,Ring,Enzyme,1,0.024482580325090545,0.01374335151520473,7.23,7.14391944210873,7.060431452203448,6.979457947902997,6.900923082494185,6.8247534194434865,6.750877934957844,6.67922758365711,6.609735292200352,6.542335959285849,6.476966455651102,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,4.93,5.01608055789127,5.099568547796552,5.180542052097003,5.259076917505815,5.335246580556514,5.4091220650421565,5.48077241634289,5.5502647077996485,5.617664040714151,5.683033544348898,first
+274,13.43,90,3.3625411125250136e+16,4.91,1.5912739418064292,105.2,Branched,Acid,1,0.2337138356835376,0.1826912433629918,4.83,1.1895876008786486,1.106101970654886,1.097349078543684,1.0961818515147903,1.0957870062423603,1.0965985057985548,1.0952755611151348,1.0968755784052953,1.0964272260422725,1.0964051188226014,4.82,4.82,4.82,4.82,4.82,4.82,4.82,4.82,4.82,4.82,4.82,0.44,1.653470799707117,1.6812993431150378,1.6842169738187718,1.6846060494950696,1.6847376645858796,1.6844671647338147,1.6849081462949547,1.6843748071982345,1.6845242579859088,1.6845316270591322,third
+272,4.74,90,4.387162688071406e+16,2.13,0.7561219797213337,33.8,Linear,Base,0,0.22805464301890097,0.15252668129700392,2.03,1.8475562855848788,1.6651125711697579,1.4826688567546376,1.3002251423395168,1.1177814279243958,0.9353377135092749,0.752893999094154,0.5704502846790327,0.3880065702639115,0.20556285584879008,0.42,0.42,0.42,0.42,0.42,0.42,0.42,0.42,0.42,0.42,0.42,2.38,2.5624437144151204,2.744887428830242,2.9273311432453624,3.109774857660483,3.292218572075604,3.474662286490725,3.657106000905846,3.839549715320967,4.021993429736089,4.20443714415121,zero
+274,6.97,92,2.8614842387525008e+17,3.29,1.1908875647772805,177.8,Ring,None,0,0.8266461798193023,0.5325334253972598,8.17,4.213850412890808,2.1773003824901016,1.1256698345599727,0.5806610398324811,0.3000162663292921,0.1551341910671764,0.08003010474070629,0.04134006893436561,0.021378672901634196,0.011035979450885513,1.86,1.86,1.86,1.86,1.86,1.86,1.86,1.86,1.86,1.86,1.86,0.29,0.29,0.29,0.29,0.29,0.29,0.29,0.29,0.29,0.29,0.29,first
+278,12.45,92,1.3317570052923555e+17,1.73,0.5481214085096876,125.2,Branched,Acid,0,0.6878867059680396,0.5007969369514289,3.25,0.543590957746069,0.3869808383645214,0.31678227759136457,0.2748195485457371,0.245860815846648,0.22454132282368466,0.20809540666024973,0.19465176574494417,0.1835147086518795,0.17409333137484137,2.53,2.53,2.53,2.53,2.53,2.53,2.53,2.53,2.53,2.53,2.53,0.21,1.1121363474179768,1.1643397205451593,1.1877392408028782,1.2017268171514206,1.2113797280511172,1.2184862257254383,1.2239681977799164,1.2284494114183517,1.2321617637827067,1.2353022228750528,third
+279,11.41,93,8.319095465709509e+16,2.42,0.883767540168595,60.2,Linear,Acid,0,0.3220331533948163,0.260704337126363,6.16,3.8626333014332093,3.8405026407985123,3.8400111018808474,3.840000302407231,3.8399986132651573,3.8399992753206043,3.839999005119894,3.839999210747004,3.8400002186984183,3.8400010343428064,1.16,0.011316650716604532,0.0002513203992560525,5.550940423569679e-06,1.512036154775566e-07,-6.933674214329944e-07,-3.6233969797842905e-07,-4.9744005309408e-07,-3.9462649826670376e-07,1.0934920904639628e-07,5.171714028194478e-07,3.02,4.168683349283396,4.179748679600745,4.179994449059577,4.179999848796385,4.180000693367422,4.180000362339698,4.180000497440054,4.180000394626499,4.179999890650792,4.179999482828598,third
+279,6.78,91,1.9408216189235475e+17,1.51,0.412109650826833,189.2,Linear,None,0,1.7793668095625859,0.9833958395195228,6.58,6.180057278573466,6.1799996455031145,6.180001022962184,6.179999274997864,6.179999995453638,6.180001091762177,6.179999538269188,6.18000010085508,6.180000902529382,6.180000203401898,0.4,5.727857346728319e-05,-3.544968848645696e-07,1.022962185037331e-06,-7.25002135134755e-07,-4.546360346756603e-09,1.0917621778502963e-06,-4.6173081129368223e-07,1.0085507968880863e-07,9.025293819368197e-07,2.0340189778908545e-07,1.89,2.289942721426532,2.2900003544968843,2.2899989770378144,2.2900007250021344,2.2900000045463593,2.289998908237821,2.2900004617308105,2.2899998991449197,2.2899990974706177,2.2899997965981016,second
+273,5.26,98,4.0807604031620454e+17,2.33,0.8458682675776092,153.3,Unknown,Enzyme,1,0.0723048544022417,0.054063798846675476,8.26,7.933090075343424,7.6376143977573525,7.370463297613083,7.128847450596068,6.910498403187958,6.713284848666153,6.535199453448524,6.374358857093408,6.229003672299612,6.09749848490641,3.44,3.44,3.44,3.44,3.44,3.44,3.44,3.44,3.44,3.44,3.44,3.1,3.4269099246565764,3.722385602242647,3.989536702386917,4.231152549403931,4.449501596812041,4.646715151333847,4.824800546551476,4.985641142906592,5.130996327700387,5.262501515093589,first
+272,4.86,97,3.6168613809981325e+17,4.98,1.6054298910365616,75.5,Linear,None,1,0.08508728544032808,0.07628352892283921,2.67,1.5328435856223983,1.3370958671229918,1.277572517500338,1.2574094056335934,1.2496351434470505,1.247158011067394,1.2459328134043581,1.2459228711268602,1.2456032866786901,1.2455370169926239,2.17,2.17,2.17,2.17,2.17,2.17,2.17,2.17,2.17,2.17,2.17,1.68,2.059052138125867,2.1243013776256694,2.1441424941665534,2.1508635314554683,2.153454952184316,2.1542806629775346,2.1546890621985466,2.154692376291046,2.1547989044404363,2.1548209943357914,third
+278,3.82,98,1.533459201094902e+17,4.64,1.534714366238164,129.5,Unknown,Enzyme,0,0.05906865797529846,0.044129504458855176,3.53,1.660990910903371,1.2452402623753682,1.0387395059032203,0.9093184536442994,0.8189874267701576,0.7505344706294814,0.6973784952965848,0.6542008442868205,0.61779137971274,0.5868548665798837,1.09,1.09,1.09,1.09,1.09,1.09,1.09,1.09,1.09,1.09,1.09,2.6,3.2230030296988765,3.3615865792082107,3.4304201646989267,3.4735605154519003,3.503670857743281,3.526488509790173,3.544207168234472,3.55859971857106,3.5707362067624198,3.5810483778067055,third
+271,3.59,92,7.97541860287372e+16,0.69,-0.37106368139083207,57.9,Branched,Enzyme,1,0.14733981243370284,0.12141901174236575,4.51,1.3485277164722005,1.1890430902204652,1.16763137539068,1.1643930893631818,1.1635998399790668,1.1634119970209382,1.1636759504495084,1.1633866646736648,1.1640140501743732,1.164024464747988,4.7,3.119263858236101,3.039521545110233,3.0288156876953405,3.0271965446815914,3.026799919989534,3.02670599851047,3.026837975224755,3.026693332336833,3.027007025087187,3.0270122323739947,3.3,4.880736141763899,4.960478454889767,4.971184312304659,4.972803455318408,4.973200080010465,4.9732940014895295,4.973162024775244,4.9733066676631665,4.972992974912812,4.972987767626005,third
+275,1.45,92,4.83775931336121e+16,1.52,0.41871033485818504,120.1,Linear,Enzyme,1,0.1618645456112927,0.12759159928845606,9.13,2.5627296869806915,2.279977675382087,2.2236799138076173,2.21064661363917,2.2075247038732395,2.2071326691047157,2.2065801675383963,2.2069948259771413,2.2066797537901697,2.2068138379499893,4.09,0.8063648434903453,0.6649888376910429,0.6368399569038083,0.6303233068195846,0.6287623519366192,0.6285663345523572,0.6282900837691977,0.6284974129885701,0.6283398768950845,0.6284069189749943,0.42,3.703635156509655,3.8450111623089573,3.873160043096192,3.8796766931804156,3.881237648063381,3.8814336654476427,3.881709916230802,3.88150258701143,3.8816601231049157,3.881593081025006,third
+280,8.93,100,3.595461600861292e+17,4.26,1.449269160281279,127.7,Linear,Base,0,0.07940581515833338,0.06648116577909574,4.67,4.382566073634801,4.112823009225033,3.859658629263478,3.622065111897274,3.399107226503424,3.18989401283965,2.9935787810444006,2.809359111636844,2.6364768555168716,2.4742181339650977,0.51,0.51,0.51,0.51,0.51,0.51,0.51,0.51,0.51,0.51,0.51,1.02,1.307433926365199,1.5771769907749678,1.8303413707365224,2.067934888102726,2.2908927734965765,2.5001059871603504,2.6964212189556,2.8806408883631565,3.053523144483129,3.2157818660349027,first
+276,3.63,98,5.8419500042417416e+16,3.21,1.1662709371419244,150.7,Ring,Enzyme,0,0.016550291523807104,0.011480494195293964,7.1,7.006613934901546,6.914456173764656,6.8235105607037125,6.733761147419974,6.645192202319074,6.557788206301956,6.471533837990088,6.386413973665506,6.302413687270821,6.219518250409215,4.68,4.68,4.68,4.68,4.68,4.68,4.68,4.68,4.68,4.68,4.68,4.57,4.663386065098454,4.7555438262353436,4.846489439296287,4.936238852580026,5.024807797680926,5.112211793698044,5.198466162009912,5.283586026334494,5.367586312729179,5.450481749590785,first
+274,8.23,100,1.0173999731050037e+17,0.71,-0.342490308946776,86.8,Branched,Base,1,0.008771340416206991,0.005789526735396247,1.1,1.113803138863553,1.1271196444362352,1.1399618657527764,1.1523422375175505,1.1642732469062398,1.1757673456052946,1.1868369271920058,1.1974943271758534,1.2077518229985065,1.2176216340338233,1.43,1.43,1.43,1.43,1.43,1.43,1.43,1.43,1.43,1.43,1.43,3.35,3.3430984305682236,3.3364401777818826,3.330019067123612,3.323828881241225,3.3178633765468803,3.3121163271973533,3.3065815364039977,3.3012528364120737,3.296124088500747,3.291189182983089,second
+276,10.47,98,4.2092863534701024e+17,2.87,1.0543120297715298,58.9,Linear,Enzyme,1,0.11924942220753453,0.09382555328499699,4.8,4.609264303212575,4.506721600985912,4.448680785679834,4.416519461097499,4.397819972506172,4.387618274097371,4.3815252377818465,4.378039217520328,4.376311979351832,4.3751524531641355,1.14,0.9492643032125746,0.8467216009859118,0.7886807856798331,0.7565194610974981,0.7378199725061715,0.7276182740973702,0.7215252377818463,0.7180392175203282,0.7163119793518316,0.715152453164135,3.54,3.7307356967874252,3.833278399014088,3.8913192143201667,3.923480538902502,3.942180027493828,3.9523817259026295,3.9584747622181533,3.961960782479671,3.963688020648168,3.9648475468358644,second
+280,3.85,96,2.3375550305221658e+17,2.16,0.7701082216960737,180.7,Ring,Acid,0,0.2878031819646923,0.24939582271506863,8.64,6.863088586244192,5.451299468643805,4.3277750690274495,3.4374537234118363,2.7329634043862976,2.172020336041524,1.7242979313387097,1.369429330135765,1.0887720971306976,0.8655341376480336,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.34,6.116911413755808,7.528700531356195,8.652224930972551,9.542546276588164,10.247036595613704,10.807979663958477,11.255702068661291,11.610570669864236,11.891227902869304,12.114465862351967,first
+270,3.58,96,1.236592267629661e+17,2.07,0.7275486072772777,71.0,Linear,None,1,0.033055162891003166,0.02686713474432537,6.87,2.4570904988042406,1.911337034307788,1.697046817920939,1.5930505548872111,1.5378410983900432,1.5066852473225136,1.4888652058406533,1.4791347602254492,1.472917906372889,1.469325877332782,4.28,4.28,4.28,4.28,4.28,4.28,4.28,4.28,4.28,4.28,4.28,2.06,3.5309698337319197,3.7128876552307375,3.7843177273596873,3.81898314837093,3.837386300536653,3.8477715842258293,3.853711598053116,3.856955079924851,3.8590273645423707,3.8602247075557394,third
+272,10.66,95,1.1291026590541053e+17,3.22,1.169381359556317,162.9,Unknown,None,0,0.06432182251848745,0.04495628682905889,4.73,1.684977282352262,1.230795416045931,1.016796007434345,0.8858920103461186,0.7950597054644126,0.7272367238014372,0.6748639964071332,0.6320946367505017,0.5963820630159891,0.5661115793678074,2.09,2.09,2.09,2.09,2.09,2.09,2.09,2.09,2.09,2.09,2.09,3.49,4.505007572549246,4.6564015279846895,4.727734664188551,4.771369329884627,4.801646764845195,4.82425442539952,4.841712001197622,4.855968454416499,4.867872645661336,4.877962806877397,third
+279,1.16,90,1.1060194434847384e+17,4.79,1.5665304114228238,117.5,Unknown,None,0,1.5605235242251572,1.312204741523518,8.78,0.36590417711653955,0.2588186438796197,0.21142801553574442,0.1829620331216879,0.1637901270061339,0.14942669649913565,0.13833111005867352,0.12947906943767193,0.12207622275472141,0.1157847691051273,0.16,0.16,0.16,0.16,0.16,0.16,0.16,0.16,0.16,0.16,0.16,4.43,7.23469860762782,7.27039378537346,7.286190661488085,7.29567932229277,7.302069957664622,7.306857767833621,7.310556296647109,7.313506976854109,7.315974592415093,7.318071743631624,third
+275,2.93,100,2.515065046170316e+17,4.32,1.463255402256019,50.9,Branched,Acid,0,0.025435990295050358,0.020511028823127716,8.3,6.204994827768379,4.955346419241088,4.126238166748854,3.5339011556892506,3.0892742564528293,2.7470560183985313,2.4719048078991523,2.245871660228667,2.05799301779341,1.8990904459139928,4.96,4.96,4.96,4.96,4.96,4.96,4.96,4.96,4.96,4.96,4.96,1.69,2.7375025861158107,3.3623267903794565,3.7768809166255735,4.073049422155375,4.295362871773586,4.466471990800734,4.604047596050424,4.717064169885666,4.811003491103295,4.890454777043003,second
+274,13.56,94,3.8739049947181997e+17,3.72,1.3137236682850553,116.3,Unknown,Base,1,0.4651454269092857,0.34089385160725194,9.14,1.5598725436074854,1.5594218611414923,1.5613067415737674,1.559783946826203,1.5606538396187404,1.5600729854773243,1.559743428232362,1.560337624658742,1.5589974340728652,1.5601719937067287,4.81,4.81,4.81,4.81,4.81,4.81,4.81,4.81,4.81,4.81,4.81,2.65,5.176709152130837,5.176859379619501,5.176231086142076,5.176738684391265,5.176448720127084,5.176642338174222,5.17675219058921,5.176554125113751,5.177000855309043,5.176609335431088,third
+274,2.66,98,2.7481719720760672e+17,3.55,1.2669476034873244,98.5,Ring,None,0,0.057004175129807905,0.05070119851563295,3.38,2.5830783046285863,2.0935471762291344,1.757527944587705,1.5168829179428536,1.3324522107883399,1.1879983213388388,1.0728747664214104,0.9780421735998638,0.8979412209451648,0.8299699580750557,1.25,1.25,1.25,1.25,1.25,1.25,1.25,1.25,1.25,1.25,1.25,4.19,4.588460847685707,4.833226411885433,5.001236027706148,5.121558541028573,5.21377389460583,5.286000839330581,5.343562616789295,5.390978913200068,5.431029389527418,5.465015020962472,second
+275,13.86,97,1.5246252499447373e+17,2.32,0.8415671856782185,26.8,Branched,Base,1,0.05726846653068039,0.029246022270443293,8.74,7.646668957919243,6.988663813905063,6.564955143025875,6.282213509301534,6.086652609911646,5.950947930626214,5.853947996931841,5.784456529562224,5.734983188621185,5.698938302013532,3.83,2.7366689579192425,2.078663813905063,1.6549551430258753,1.3722135093015333,1.1766526099116452,1.040947930626213,0.9439479969318406,0.8744565295622239,0.8249831886211851,0.7889383020135311,4.45,5.543331042080758,6.201336186094937,6.625044856974125,6.9077864906984665,7.103347390088355,7.239052069373788,7.3360520030681595,7.4055434704377765,7.455016811378815,7.491061697986469,second
+277,3.93,98,2.4601863397730864e+17,2.89,1.0612565021243408,133.9,Linear,Enzyme,1,0.08131585055096098,0.06511080311923648,6.61,3.8500504703153298,2.944261536435498,2.5539294075401133,2.3630391680274507,2.2656189087304814,2.2143879647061437,2.187094751725143,2.171852573824537,2.16461424636406,2.160064385870831,0.08,0.08,0.08,0.08,0.08,0.08,0.08,0.08,0.08,0.08,0.08,3.57,4.949974764842335,5.402869231782251,5.598035296229943,5.693480415986275,5.7421905456347595,5.767806017646928,5.781452624137428,5.789073713087731,5.79269287681797,5.794967807064584,second
+272,9.43,92,2.920903608726282e+17,3.41,1.2267122912954254,124.9,Unknown,None,1,0.6270184168729608,0.44780781769653316,4.93,1.1547994344485624,1.1528200040082834,1.1530165801500845,1.1543502468536861,1.1542004518537936,1.1548341445814503,1.154732054373078,1.1541865032523737,1.1535350774285558,1.153743581000073,2.72,2.72,2.72,2.72,2.72,2.72,2.72,2.72,2.72,2.72,2.72,0.89,2.1484001885171464,2.149059998663906,2.1489944732833055,2.1485499177154384,2.148599849382069,2.14838861847285,2.1484226485423075,2.1486044989158755,2.148821640857148,2.1487521396666427,third
+273,5.99,97,4.5654203494889184e+17,2.23,0.8020015854720274,64.2,Linear,Base,0,0.1256752384521466,0.103966887405414,9.09,8.511329481673624,8.27745564887514,8.177682786509955,8.134247687136506,8.115151002540188,8.106713983601583,8.102976720044834,8.101318737430583,8.100583887964657,8.10025926886455,0.99,0.411329481673624,0.17745564887514045,0.07768278650995597,0.03424768713650695,0.01515100254018882,0.006713983601586442,0.0029767200448359726,0.0013187374305854529,0.0005838879646575358,0.00025926886455095936,4.08,4.658670518326376,4.89254435112486,4.992317213490044,5.035752312863494,5.054848997459811,5.063286016398414,5.067023279955165,5.068681262569415,5.069416112035343,5.06974073113545,second
+279,9.75,99,2.87595395175134e+16,1.49,0.3987761199573678,185.7,Ring,None,0,0.008379927126440184,0.006176537290101969,7.6,7.549220444831209,7.4987801742967,7.448676921482928,7.398908434570022,7.349472476695945,7.300366826173763,7.251589276186743,7.203137634495541,7.155009723438194,7.107203379930122,1.64,1.64,1.64,1.64,1.64,1.64,1.64,1.64,1.64,1.64,1.64,0.82,0.82,0.82,0.82,0.82,0.82,0.82,0.82,0.82,0.82,0.82,first
+275,4.65,100,3.774280115447575e+17,1.3,0.26236426446749106,161.7,Unknown,None,0,0.038171001793177846,0.021240067107715033,8.42,2.2533127551996337,1.6239642916896506,1.3337176110277518,1.1593115686985245,1.0383951078868352,0.9498643108634675,0.8799342766767378,0.823451765453067,0.7768424511630877,0.7373054525565017,2.0,2.0,2.0,2.0,2.0,2.0,2.0,2.0,2.0,2.0,2.0,0.05,2.105562414933456,2.31534523610345,2.412094129657416,2.470229477100492,2.510534964037722,2.540045229712178,2.5633552411077543,2.582182744848978,2.597719182945638,2.6108981824811663,third
+274,6.61,95,1.5932779274696026e+17,4.02,1.3912819026309295,196.2,Unknown,Enzyme,1,0.12333520839236732,0.07967560768819978,5.48,2.965520793939172,2.3006856573979846,2.0546859209159676,1.9532172321144343,1.9092681083554761,1.8891969246673672,1.8809099115213728,1.8767248142345152,1.8748621540874106,1.8744929297072395,0.11,0.11,0.11,0.11,0.11,0.11,0.11,0.11,0.11,0.11,0.11,3.63,4.887239603030414,5.219657171301008,5.342657039542017,5.393391383942784,5.415365945822263,5.425401537666317,5.4295450442393145,5.431637592882743,5.432568922956296,5.432753535146381,second
+279,8.06,97,3.0963520089769395e+17,4.98,1.6054298910365616,181.1,Ring,None,0,0.21368007579929596,0.12540416288340364,2.21,1.5764500671195307,1.2197409413554612,0.9913033224931216,0.8314551339361984,0.7146135563376421,0.624890756418923,0.5535168588006792,0.4960204292657294,0.4486770495892132,0.4086266440591748,2.33,1.6964500671195308,1.3397409413554613,1.1113033224931217,0.9514551339361985,0.8346135563376422,0.7448907564189231,0.6735168588006794,0.6160204292657295,0.5686770495892133,0.528626644059175,0.74,1.373549932880469,1.7302590586445386,1.9586966775068781,2.1185448660638015,2.2353864436623576,2.3251092435810765,2.39648314119932,2.45397957073427,2.501322950410786,2.5413733559408245,second
+279,7.4,95,2.664355444446754e+17,1.88,0.6312717768418578,82.5,Linear,None,0,0.435473018272441,0.29933646484572307,7.68,5.420699553603819,3.825337453160994,2.6984263731951788,1.9072687526193106,1.3458435490656562,0.9497809883538116,0.6714660871578733,0.4735571986456857,0.3343840785681848,0.23635879791804795,2.63,2.63,2.63,2.63,2.63,2.63,2.63,2.63,2.63,2.63,2.63,4.49,6.749300446396181,8.344662546839006,9.47157362680482,10.262731247380689,10.824156450934343,11.220219011646188,11.498533912842126,11.696442801354314,11.835615921431815,11.933641202081953,first
+274,1.48,99,3.883453201945715e+16,1.65,0.5007752879124892,195.5,Linear,Enzyme,0,0.0051932182912096505,0.002845186090801024,6.4,6.395845425367033,6.391690850734065,6.387536276101097,6.38338170146813,6.379227126835162,6.3750725522021945,6.370917977569226,6.366763402936258,6.362608828303291,6.358454253670323,0.96,0.96,0.96,0.96,0.96,0.96,0.96,0.96,0.96,0.96,0.96,1.97,1.9741545746329678,1.9783091492659355,1.9824637238989031,1.986618298531871,1.9907728731648384,1.9949274477978063,1.999082022430774,2.003236597063742,2.0073911716967094,2.011545746329677,zero
+272,7.06,93,3.9934182141414746e+17,2.88,1.0577902941478545,151.2,Unknown,Acid,0,0.5508860979853915,0.44548744976453053,3.28,0.35974054171457065,0.1999049348033642,0.13919584233023224,0.10697718054980421,0.08705065040451065,0.07331178776275724,0.06339045051074811,0.05587746352840674,0.04991250191211205,0.045103896234672244,4.04,2.5798702708572856,2.499952467401682,2.469597921165116,2.453488590274902,2.4435253252022555,2.4366558938813787,2.4316952252553743,2.427938731764203,2.424956250956056,2.422551948117336,4.78,6.240129729142713,6.320047532598316,6.3504020788348825,6.3665114097250965,6.376474674797744,6.38334410611862,6.388304774744625,6.3920612682357945,6.395043749043942,6.3974480518826615,third
+277,13.15,93,3.7600243081037555e+17,2.35,0.8544153281560676,192.7,Branched,Enzyme,0,1.0896711441370666,0.758090405228977,2.73,1.1415680144715028,0.4775703521825556,0.19993968713252463,0.08371492733261682,0.035037629310184254,0.014659521706954889,0.006133397634553844,0.0025666128413317207,0.0010743673629112895,0.00045050817705348235,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.01,1.598431985528497,2.262429647817444,2.540060312867475,2.656285072667383,2.7049623706898154,2.725340478293045,2.733866602365446,2.7374333871586676,2.738925632637088,2.7395494918229457,first
+276,13.06,91,3.1166820977638816e+16,4.83,1.5748464676644813,174.4,Ring,Enzyme,1,0.186543345191732,0.10946547482409351,9.94,1.3485880270940895,1.2476424211736432,1.2366934694446345,1.2352577794964597,1.2349749825286045,1.2356748895938758,1.2341628044578616,1.2366144875019256,1.2348347394744368,1.2357707978833115,0.18,0.18,0.18,0.18,0.18,0.18,0.18,0.18,0.18,0.18,0.18,0.31,3.173803990968636,3.2074525262754516,3.2111021768517873,3.211580740167846,3.2116750058237975,3.211441703468707,3.2119457318473783,3.2111285041660236,3.21172175350852,3.211409734038895,third
+274,10.63,96,8.987520048070891e+16,4.73,1.5539252025038417,107.5,Unknown,Base,0,0.044852963923020246,0.03917254556380287,4.41,4.374117628861584,4.338235257723167,4.302352886584751,4.2664705154463345,4.2305881443079185,4.1947057731695025,4.158823402031087,4.12294103089267,4.087058659754254,4.051176288615838,3.12,3.12,3.12,3.12,3.12,3.12,3.12,3.12,3.12,3.12,3.12,2.43,2.4658823711384166,2.5017647422768325,2.537647113415249,2.573529484553665,2.6094118556920813,2.6452942268304973,2.6811765979689137,2.7170589691073297,2.7529413402457457,2.788823711384162,zero
+273,13.35,96,3.291568425912129e+17,4.41,1.4838746894587547,84.1,Linear,Enzyme,0,0.1407713979817345,0.10034900102376519,4.56,4.074325497690226,3.6403812112744776,3.25246319913098,2.9054935282943886,2.5955467926694578,2.318938651385018,2.0721888315776376,1.8520211283916193,1.6553634049790007,1.479347592499559,2.54,2.54,2.54,2.54,2.54,2.54,2.54,2.54,2.54,2.54,2.54,4.58,4.58,4.58,4.58,4.58,4.58,4.58,4.58,4.58,4.58,4.58,first
+275,9.95,94,1.6817747031051418e+17,1.12,0.11332868530700327,47.0,Linear,Acid,1,0.2346244561549921,0.16317012717640159,9.08,2.129018721927202,1.9735115735094702,1.955013353471929,1.9527503735901248,1.9527573449166513,1.9521702574137738,1.9524712913991626,1.9525725372107772,1.952435090570924,1.953165950864793,4.4,0.9245093609636013,0.8467557867547354,0.8375066767359648,0.8363751867950627,0.836378672458326,0.8360851287068872,0.8362356456995816,0.8362862686053889,0.8362175452854623,0.8365829754323968,1.02,4.495490639036399,4.573244213245264,4.582493323264035,4.583624813204937,4.583621327541674,4.583914871293112,4.583764354300418,4.583713731394611,4.5837824547145365,4.583417024567602,third
+278,13.5,91,1.7814304396899987e+17,2.88,1.0577902941478545,94.8,Ring,None,0,1.41827997193868,1.2748594050392201,1.29,0.36823828140242787,0.26572217024963934,0.21862488967968136,0.18986760250719462,0.17033215482158406,0.15560990436772051,0.14421244888309223,0.13508809818039047,0.12743475994871453,0.12092552592209375,1.46,1.46,1.46,1.46,1.46,1.46,1.46,1.46,1.46,1.46,1.46,1.97,2.2772539061991903,2.3114259432501196,2.327125036773439,2.336710799164268,2.3432226150594717,2.3481300318774263,2.3519291837056358,2.3549706339398697,2.3575217466837617,2.359691491359302,third
+270,5.13,95,4.176233679368896e+17,1.27,0.23901690047049992,133.6,Branched,Base,0,0.17428747715947546,0.14654912316222082,9.19,9.050570018272419,8.911140036544838,8.771710054817257,8.632280073089676,8.492850091362097,8.353420109634516,8.213990127906936,8.074560146179355,7.935130164451774,7.795700182724193,4.42,4.42,4.42,4.42,4.42,4.42,4.42,4.42,4.42,4.42,4.42,1.86,1.9994299817275805,2.138859963455161,2.278289945182741,2.4177199269103213,2.5571499086379017,2.6965798903654825,2.836009872093063,2.9754398538206437,3.114869835548224,3.254299817275805,zero
+274,6.25,93,1.3518950059251837e+17,2.6,0.9555114450274363,169.8,Branched,None,1,0.25178335204729757,0.15637165663770997,4.58,4.291269449390948,4.083137310432648,3.932275658317357,3.8230245534251814,3.7458433276375005,3.6909611328827046,3.6498837460590257,3.6201411070498764,3.5990881154889744,3.583958853763809,1.24,1.24,1.24,1.24,1.24,1.24,1.24,1.24,1.24,1.24,1.24,4.67,4.958730550609052,5.166862689567352,5.317724341682643,5.426975446574819,5.5041566723625,5.5590388671172954,5.600116253940975,5.629858892950123,5.650911884511026,5.666041146236191,first
+280,10.22,100,4.2280130031016115e+17,2.32,0.8415671856782185,118.8,Unknown,Base,1,0.09337572091741789,0.05079575811830496,7.57,6.996019605700921,6.694460551727364,6.527225798668147,6.431708684665551,6.377032344562748,6.344874689618967,6.326328453033418,6.3152312307682585,6.308863082025786,6.305078805902014,1.52,0.9460196057009205,0.6444605517273632,0.47722579866814696,0.38170868466555086,0.32703234456274743,0.29487468961896657,0.2763284530334179,0.26523123076825833,0.25886308202578595,0.25507880590201426,1.62,2.1939803942990794,2.4955394482726367,2.662774201331853,2.758291315334449,2.8129676554372525,2.8451253103810332,2.863671546966582,2.8747687692317414,2.8811369179742137,2.8849211940979855,second
+271,4.81,90,4.9483885672275955e+17,2.15,0.7654678421395714,113.6,Unknown,Base,0,2.2209554220480032,1.8644544013977604,5.83,0.2694509537667835,0.13783361656310827,0.09262111116071454,0.06979316345194946,0.05595136352063455,0.04671503112373446,0.040060213114656226,0.035117425493124216,0.031231476973656684,0.028111693773613382,4.81,4.81,4.81,4.81,4.81,4.81,4.81,4.81,4.81,4.81,4.81,0.98,3.7602745231166086,3.826083191718446,3.8486894444196427,3.8601034182740253,3.867024318239683,3.8716424844381327,3.874969893442672,3.8774412872534376,3.8793842615131715,3.880944153113193,second
+277,11.39,92,4.671515513980303e+17,1.38,0.3220834991691132,37.2,Linear,Enzyme,0,2.089979910460053,1.571288265341658,1.35,0.2537786169949872,0.04780295324463856,0.009000872966564313,0.0016916895699985357,0.0003186777511911588,5.992300073179359e-05,1.148857540864774e-05,2.2636306622802937e-06,3.177709980328191e-07,1.8378520637246663e-07,2.24,2.24,2.24,2.24,2.24,2.24,2.24,2.24,2.24,2.24,2.24,3.73,3.73,3.73,3.73,3.73,3.73,3.73,3.73,3.73,3.73,3.73,first
+279,3.71,100,2.9594752806927123e+17,2.24,0.8064758658669485,166.1,Branched,Acid,0,0.05603318859408005,0.034709668005742815,1.53,1.462929861687277,1.3987998675236246,1.3374810271479605,1.2788493203467652,1.2227878100200253,1.1691845117170663,1.1179317691132604,1.0689262540100262,1.0220689663348297,0.9772652341411825,2.2,2.2,2.2,2.2,2.2,2.2,2.2,2.2,2.2,2.2,2.2,3.54,3.607070138312723,3.6712001324763754,3.732518972852039,3.7911506796532346,3.8472121899799743,3.9008154882829333,3.9520682308867396,4.001073745989974,4.04793103366517,4.092734765858817,first
+275,11.98,92,3.833632461100909e+17,2.16,0.7701082216960737,79.2,Unknown,Enzyme,0,1.2826788936005689,0.7812440470314377,9.93,3.558986675662396,1.2756993771090197,0.45753155814698065,0.16411813537007408,0.0588735521493238,0.021120736060825825,0.007577434739388736,0.002718643455715414,0.000975381698127354,0.00035039935652658635,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.79,8.161013324337604,10.44430062289098,11.262468441853018,11.555881864629926,11.661126447850677,11.698879263939174,11.712422565260612,11.717281356544285,11.719024618301875,11.719649600643473,first
+272,9.13,99,2.5298819369940067e+17,3.28,1.1878434223960523,26.1,Ring,Base,0,0.024577683721279216,0.013929287129564372,3.08,3.0200320679491073,2.961231718421055,2.903576218543748,2.847043266152814,2.7916110041707216,2.7372580265526043,2.6839633250248025,2.631706287754524,2.5804666993498415,2.530224740859694,4.56,4.56,4.56,4.56,4.56,4.56,4.56,4.56,4.56,4.56,4.56,0.15,0.15,0.15,0.15,0.15,0.15,0.15,0.15,0.15,0.15,0.15,first
+273,10.86,100,2.896022616465764e+16,4.97,1.6034198401085373,200.0,Ring,Base,1,0.0021259014702989143,0.001813234526089406,5.45,4.790154621591427,4.330775709356112,3.9849110254581936,3.7161561497061104,3.5021058546848134,3.323746796672886,3.1713308423724587,3.041059917154317,2.9283056752145655,2.8294972673114906,3.1,3.1,3.1,3.1,3.1,3.1,3.1,3.1,3.1,3.1,3.1,4.37,4.589948459469524,4.743074763547963,4.8583629915139355,4.947947950097963,5.0192980484383956,5.078751067775704,5.129556385875847,5.172980027615227,5.210564774928478,5.243500910896169,third
+275,7.41,97,2.881447594262672e+17,0.76,-0.2744368457017603,158.7,Branched,Enzyme,1,0.1082338660716282,0.07828931606818626,8.35,7.694645633036953,7.1299012828188,6.643247096736461,6.2244231922806605,5.864081596356648,5.553754508555247,5.286046052425336,5.055386059156884,4.856753408604299,4.685658816887753,3.2,3.2,3.2,3.2,3.2,3.2,3.2,3.2,3.2,3.2,3.2,0.28,0.9353543669630465,1.5000987171811992,1.9867529032635374,2.4055768077193385,2.765918403643351,3.076245491444752,3.343953947574663,3.5746139408431143,3.7732465913957,3.944341183112246,first
+279,10.36,91,1.8632275065879674e+17,2.76,1.0152306797290584,137.7,Linear,Base,0,1.7082276658302626,1.4153386697592936,6.3,0.3468021086280309,0.178354933734837,0.12004814280345047,0.09054759605484476,0.07257189681134718,0.060657900282327815,0.05201048740810499,0.045576257521147315,0.04056976793936383,0.03652026440984747,4.87,4.87,4.87,4.87,4.87,4.87,4.87,4.87,4.87,4.87,4.87,0.07,3.046598945685985,3.130822533132582,3.159975928598275,3.174726201972578,3.1837140515943267,3.1896710498588368,3.193994756295948,3.1972118712394266,3.1997151160303186,3.201739867795077,second
+275,5.59,90,3.622579982298737e+16,0.59,-0.527632742082372,102.1,Linear,Base,1,0.29068824448310054,0.18429303777480102,1.09,0.620605561290396,0.5828075967905232,0.5783524741900904,0.5778808498599357,0.5777567713161291,0.5772207816109773,0.5782330657369877,0.577432088889255,0.5780854392185911,0.5778338654668337,3.82,3.585302780645198,3.5664037983952617,3.564176237095045,3.5639404249299678,3.5638783856580645,3.5636103908054886,3.5641165328684936,3.5637160444446274,3.564042719609296,3.563916932733417,1.62,1.8546972193548021,1.8735962016047385,1.8758237629049548,1.8760595750700322,1.8761216143419355,1.8763896091945114,1.875883467131506,1.8762839555553725,1.8759572803907045,1.8760830672665834,third
+271,4.35,91,3.825122046453622e+17,1.41,0.34358970439007686,154.1,Unknown,Acid,0,1.1014546806576055,0.901730350835332,1.76,0.42288026606122475,0.3036096845409274,0.24900438898496025,0.21629838618377104,0.1936505622899557,0.1770918822523588,0.16402100349083382,0.15346741744177714,0.14476228592220525,0.13738073669808337,1.67,1.67,1.67,1.67,1.67,1.67,1.67,1.67,1.67,1.67,1.67,2.38,2.825706577979591,2.8654634384863567,2.8836652036716792,2.894567204605409,2.9021164792366805,2.907636039249213,2.911992998836388,2.9155108608527405,2.9184125713592644,2.920873087767305,third
+278,3.98,99,2.278813681998594e+17,1.65,0.5007752879124892,68.2,Linear,Base,1,0.05694984177073458,0.04880653257957776,5.17,2.0149538597854018,1.7073650401471294,1.621204513304582,1.592739922270083,1.5835281717401304,1.5800748116822172,1.5789985171412093,1.5783309799743395,1.5787011545066019,1.5784228600927943,3.37,3.37,3.37,3.37,3.37,3.37,3.37,3.37,3.37,3.37,3.37,3.39,4.441682046738199,4.54421165328429,4.572931828898473,4.582420025909972,4.585490609419956,4.586641729439261,4.587000494286264,4.58722300667522,4.587099615164466,4.5871923799690695,third
+272,7.19,91,3.3298091020835046e+17,2.56,0.9400072584914712,166.7,Branched,Base,0,1.112316710110688,0.9761152994520611,8.5,3.492299244775121,1.435069594159661,0.5896349862481188,0.24229844092913205,0.09958275975760311,0.04093524601399568,0.016830210329443727,0.006920726684559928,0.0028462704652933626,0.0011710576075089929,1.62,1.62,1.62,1.62,1.62,1.62,1.62,1.62,1.62,1.62,1.62,3.8,8.807700755224879,10.864930405840338,11.71036501375188,12.057701559070868,12.200417240242396,12.259064753986003,12.283169789670556,12.293079273315438,12.297153729534704,12.29882894239249,first
+272,7.75,93,4.408426421576036e+17,2.95,1.0818051703517284,53.6,Linear,Acid,1,0.6081358624142562,0.4759526192347477,1.2,1.6772098463908072,1.6907158128845068,1.691985285106217,1.691793376654111,1.6923147900884306,1.6928657969466274,1.6924876296003928,1.6911391173199235,1.6901014413247395,1.6901826855898452,0.26,0.26,0.26,0.26,0.26,0.26,0.26,0.26,0.26,0.26,0.26,3.9,3.6613950768045966,3.6546420935577464,3.654007357446891,3.6541033116729444,3.6538426049557846,3.6535671015266864,3.653756185199804,3.654430441340039,3.654949279337631,3.654908657205078,second
+277,9.54,95,2.3479238231954893e+17,0.89,-0.11653381625595151,69.9,Branched,Enzyme,1,0.28551554831517273,0.16955011330910072,5.63,1.5060354511878609,1.4971745704188715,1.4945488311463857,1.4967395590994785,1.4969258656217237,1.4953612565732834,1.4985198592049442,1.4960052280383447,1.4975931122373722,1.4985495503124229,2.13,2.13,2.13,2.13,2.13,2.13,2.13,2.13,2.13,2.13,2.13,4.27,5.644654849604046,5.647608476527043,5.648483722951204,5.647753480300174,5.647691378126091,5.648212914475572,5.647160046931686,5.647998257320552,5.647468962587543,5.647150149895859,third
+277,10.87,94,2.1392360365107344e+17,4.97,1.6034198401085373,162.7,Branched,Acid,0,0.4015910129826776,0.33640794537247914,1.45,0.6461242842699275,0.48149212590634693,0.4004158714946496,0.35039504353225004,0.31501650967029765,0.2887415362116736,0.2682364935057001,0.2513696929107113,0.23733714962079516,0.22541844481070825,2.64,2.64,2.64,2.64,2.64,2.64,2.64,2.64,2.64,2.64,2.64,1.02,1.2879585719100242,1.3428359580312177,1.3698613761684502,1.38653498548925,1.3983278301099007,1.4070861545961086,1.4139211688314333,1.4195434356964294,1.4242209501264014,1.4281938517297637,third
+277,11.33,96,2.026719111675313e+17,1.87,0.6259384308664954,136.5,Linear,Enzyme,0,0.1596466485012726,0.12952669387565274,3.58,2.988148968777461,2.644245839313522,2.4228152532464193,2.272415898245092,2.1657878175794365,2.0887602339260414,2.0311917606460685,1.9879398002208366,1.9551886783653674,1.929914440288083,1.74,1.1481489687774609,0.804245839313522,0.5828152532464195,0.43241589824509247,0.3257878175794368,0.24876023392604163,0.19119176064606877,0.14793980022083686,0.11518867836536777,0.08991444028808317,3.9,4.491851031222539,4.835754160686478,5.05718474675358,5.2075841017549065,5.314212182420563,5.391239766073958,5.448808239353931,5.4920601997791625,5.5248113216346315,5.550085559711916,second
+280,5.46,91,4.831342438496057e+17,2.79,1.0260415958332743,62.1,Branched,Acid,1,5.0956159163203765,3.8881594627822933,2.45,2.1011868733598815,2.1021403606952487,2.1016788681244676,2.101424687997608,2.10204597005233,2.1015112649572707,2.1015970180860974,2.102035694393915,2.1014406432510166,2.1028415060240118,0.82,0.645593436679941,0.6460701803476249,0.6458394340622347,0.6457123439988045,0.6460229850261653,0.645755632478636,0.6457985090430494,0.6460178471969584,0.6457203216255097,0.6464207530120072,3.57,3.7444065633200583,3.7439298196523754,3.7441605659377646,3.744287656001195,3.7439770149738347,3.744244367521365,3.7442014909569514,3.7439821528030426,3.7442796783744914,3.7435792469879936,third
+276,3.66,98,1.0802932102211893e+17,0.67,-0.40047756659712525,192.6,Linear,Base,0,0.030604793857133925,0.02166442590463371,6.01,4.643606861199464,3.7835641498743033,3.1932446281636744,2.7635242828236724,2.4333567195830637,2.175368173855097,1.9677968538109738,1.794975335399459,1.6499709680080872,1.5266437442135965,2.74,2.74,2.74,2.74,2.74,2.74,2.74,2.74,2.74,2.74,2.74,1.23,1.9131965694002682,2.3432179250628486,2.6383776859181634,2.853237858588164,3.0183216402084687,3.1473159130724517,3.2511015730945134,3.3375123323002707,3.4100145159959565,3.4716781278932016,second
+277,8.04,94,3.230487497360448e+16,2.18,0.7793248768009977,77.8,Branched,Enzyme,1,0.06064476870953027,0.03734510358034793,6.13,5.500244348732336,5.07900178915979,4.785388841272362,4.575568699367961,4.420342046327099,4.30519574125519,4.218870896971829,4.152771902148802,4.102256020904785,4.063481476370768,2.74,2.1102443487323366,1.689001789159791,1.3953888412723627,1.1855686993679617,1.0303420463270998,0.9151957412551912,0.8288708969718295,0.762771902148803,0.7122560209047855,0.6734814763707686,1.24,1.8697556512676634,2.290998210840209,2.5846111587276375,2.7944313006320383,2.9496579536729,3.0648042587448088,3.1511291030281705,3.217228097851197,3.2677439790952145,3.306518523629231,second
+277,2.88,90,2.801206162178153e+17,3.51,1.2556160374777743,72.6,Ring,Acid,1,2.9866781569097225,1.7741155332769811,7.49,1.953427486945909,1.953410379985412,1.9539277781329283,1.9548768604464914,1.9558760543491633,1.9565727539381026,1.9568826339577607,1.9569674988763,1.9570607984688078,1.957317675136441,4.9,4.9,4.9,4.9,4.9,4.9,4.9,4.9,4.9,4.9,4.9,3.67,6.438286256527046,6.438294810007295,6.438036110933537,6.437561569776755,6.437061972825418,6.43671362303095,6.43655868302112,6.436516250561851,6.436469600765597,6.436341162431781,second
+277,10.65,93,1.3890037542626698e+17,1.76,0.5653138090500605,23.2,Branched,Enzyme,1,0.40253923541292136,0.258798672780622,8.58,6.818386427948096,5.779936072274148,5.169879353283786,4.809092895873027,4.597547250926636,4.472457529341042,4.39821667714712,4.356090766266914,4.330065234619658,4.314835694451346,0.17,0.17,0.17,0.17,0.17,0.17,0.17,0.17,0.17,0.17,0.17,2.39,4.151613572051904,5.190063927725853,5.8001206467162145,6.160907104126974,6.372452749073364,6.497542470658959,6.57178332285288,6.613909233733087,6.639934765380342,6.655164305548655,first
+275,10.05,98,2.205805525460745e+17,2.72,1.000631880307906,47.3,Branched,Acid,0,0.05350183291999475,0.03491951619669672,8.0,7.664812676705012,7.343669201198286,7.035979274906875,6.7411772524420535,6.45872817632438,6.188116877476533,5.92884738373957,5.680442919872926,5.442445907554414,5.2144179653802265,3.31,3.31,3.31,3.31,3.31,3.31,3.31,3.31,3.31,3.31,3.31,3.74,4.075187323294988,4.396330798801715,4.704020725093126,4.998822747557948,5.281271823675621,5.551883122523468,5.811152616260431,6.0595570801270755,6.297554092445587,6.5255820346197755,first
+274,11.97,90,2.7393319548622154e+17,4.22,1.4398351280479205,22.0,Ring,Acid,0,1.9039760614274692,1.169267271644961,6.84,5.316819150858024,3.7936383017160495,2.2704574525740737,0.7472766034320979,-0.7759042457098779,-2.299085094851857,-3.822265943993834,-5.3454467931358085,-6.86862764227779,-8.391808491419765,0.68,0.68,0.68,0.68,0.68,0.68,0.68,0.68,0.68,0.68,0.68,2.65,4.173180849141977,5.696361698283951,7.2195425474259265,8.742723396567902,10.265904245709878,11.789085094851856,13.312265943993834,14.835446793135809,16.35862764227779,17.881808491419765,zero
+277,2.94,90,2.885977322642999e+17,1.32,0.27763173659827955,50.7,Ring,Acid,0,3.077062141035823,2.352215625916497,5.6,0.47858479344674154,0.040927084240282186,0.0034991469034444988,0.00029921301976152065,2.5638223324581932e-05,2.2355987723398318e-06,1.1959852783518988e-07,1.9007793517172772e-08,2.970502719324285e-07,1.2574459631994182e-07,2.9,2.9,2.9,2.9,2.9,2.9,2.9,2.9,2.9,2.9,2.9,4.14,4.14,4.14,4.14,4.14,4.14,4.14,4.14,4.14,4.14,4.14,first
+277,9.25,92,4.292092471958282e+17,1.48,0.3920420877760237,170.1,Branched,Acid,1,1.9202306004088467,1.1282689113762585,2.79,2.0713309399538664,2.0661759021881347,2.06642091268163,2.065987341478213,2.065838730105483,2.066503700130078,2.0660563926117925,2.0667752519329197,2.0660176538751016,2.0663185806821684,1.16,0.4413309399538664,0.43617590218813496,0.43642091268163025,0.4359873414782135,0.43583873010548335,0.4365037001300785,0.43605639261179313,0.4367752519329206,0.43601765387510233,0.4363185806821693,0.81,1.5286690600461337,1.5338240978118651,1.53357908731837,1.5340126585217866,1.5341612698945168,1.5334962998699215,1.533943607388207,1.5332247480670795,1.5339823461248978,1.533681419317831,second
+275,12.49,93,1.0555188071915571e+17,1.45,0.371563556432483,95.2,Branched,Enzyme,0,0.22804599265835446,0.1846345676486792,10.0,9.817563205873316,9.635126411746633,9.45268961761995,9.270252823493266,9.087816029366582,8.905379235239899,8.722942441113215,8.540505646986531,8.358068852859848,8.175632058733164,4.55,4.55,4.55,4.55,4.55,4.55,4.55,4.55,4.55,4.55,4.55,0.49,0.6724367941266836,0.854873588253367,1.0373103823800507,1.2197471765067343,1.4021839706334178,1.5846207647601016,1.7670575588867852,1.9494943530134692,2.1319311471401527,2.3143679412668368,zero
+276,4.33,91,4.4283943761372544e+17,0.7,-0.35667494393873245,46.2,Ring,None,0,2.6505350075504572,1.8452489066023023,9.19,1.1028143144961051,0.13252832124812966,0.015939095408211687,0.0019181091375235042,0.00023089298322517788,2.7624869189930945e-05,3.5612052961600346e-06,6.110200606140575e-07,4.576440441305455e-08,7.500775215528918e-08,1.79,1.79,1.79,1.79,1.79,1.79,1.79,1.79,1.79,1.79,1.79,1.36,9.447185685503893,10.417471678751868,10.534060904591788,10.548081890862475,10.549769107016775,10.54997237513081,10.549996438794704,10.549999388979938,10.549999954235595,10.549999924992248,first
+273,8.12,94,3.1483854738149894e+17,3.11,1.1346227261911428,60.4,Ring,Base,0,0.3250009362716688,0.26808833737472393,5.91,4.556858413995597,3.5136036869491636,2.706966122600849,2.086354349537663,1.610918506749823,1.2435339173151836,0.9581300986883431,0.7386963084398147,0.5703299638557764,0.43998627999605094,2.12,2.12,2.12,2.12,2.12,2.12,2.12,2.12,2.12,2.12,2.12,0.56,0.56,0.56,0.56,0.56,0.56,0.56,0.56,0.56,0.56,0.56,first
+275,3.73,91,4.241827018628716e+17,2.17,0.7747271675523681,115.2,Unknown,Base,1,2.197917740844468,1.6151406176844159,2.36,2.5124501252899205,2.519492062105084,2.519756782097183,2.51953246559477,2.5206904204716616,2.5209161499696835,2.5217890525075464,2.522498516038767,2.5204563072524566,2.5181734227613184,3.53,3.53,3.53,3.53,3.53,3.53,3.53,3.53,3.53,3.53,3.53,3.59,3.4375498747100792,3.430507937894916,3.4302432179028166,3.4304675344052296,3.429309579528338,3.4290838500303162,3.4282109474924534,3.4275014839612328,3.429543692747543,3.4318265772386813,first
+277,9.33,100,2.4320642526821187e+17,0.93,-0.07257069283483537,46.0,Unknown,None,1,0.033730533792185026,0.027801095806188073,4.24,2.922601158602071,2.3972931864339317,2.1164824497121697,1.946592873241276,1.8356143999892018,1.7612361724624996,1.708404509203084,1.6714821504729107,1.6454966329245067,1.6261889068453246,2.59,1.9313005793010352,1.6686465932169656,1.5282412248560846,1.4432964366206378,1.3878071999946007,1.3506180862312496,1.3242022546015417,1.305741075236455,1.292748316462253,1.283094453422662,2.44,3.098699420698965,3.361353406783034,3.5017587751439154,3.586703563379362,3.642192800005399,3.6793819137687502,3.705797745398458,3.7242589247635447,3.7372516835377465,3.7469055465773375,third
+273,1.94,96,7.905426466774758e+16,4.29,1.4562867329399256,56.8,Ring,None,0,0.03380935139032699,0.021261296580840684,7.34,7.1441322890399235,6.9534913078774645,6.767937579284299,6.587335136642777,6.411551964914109,6.240459744232167,6.073933348437643,5.911850844925944,5.75409349464719,5.600545752106222,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,0.15,0.15,0.15,0.15,0.15,0.15,0.15,0.15,0.15,0.15,0.15,first
+276,2.07,91,4.2419317678046925e+17,2.53,0.9282193027394288,36.1,Branched,None,1,2.538931200615872,1.6125036223453522,1.75,0.8394422368509741,0.8406446286482834,0.8409599726657814,0.8395315330723842,0.8404894715546647,0.8412132964385082,0.8396178053905567,0.8401428520633242,0.8405614450038297,0.840449700377082,2.16,1.7047211184254873,1.705322314324142,1.7054799863328909,1.7047657665361922,1.7052447357773324,1.7056066482192542,1.7048089026952786,1.7050714260316622,1.7052807225019149,1.7052248501885412,1.44,1.8952788815745127,1.894677685675858,1.8945200136671092,1.895234233463808,1.8947552642226677,1.8943933517807459,1.8951910973047215,1.894928573968338,1.8947192774980852,1.894775149811459,third
+280,12.04,99,6.217848099163826e+16,1.47,0.3852624007906449,43.8,Ring,None,1,0.021100696219877615,0.01624931837612671,7.11,7.020314594842102,6.93326935330795,6.848786537446101,6.766790519561568,6.687208289379679,6.609968962599865,6.535003587914006,6.462245147006433,6.391628554553931,6.323090658225734,1.72,1.72,1.72,1.72,1.72,1.72,1.72,1.72,1.72,1.72,1.72,2.23,2.319685405157898,2.4067306466920497,2.491213462553898,2.5732094804384316,2.65279171062032,2.7300310374001344,2.8049964120859943,2.877754852993567,2.9483714454460688,3.016909341774266,first
+270,9.58,94,3.3502424221527123e+17,3.51,1.2556160374777743,64.2,Linear,Base,0,0.21828618085395177,0.1801841072114167,6.76,5.676824125889451,4.767230708118881,4.00191946326446,3.358329221629104,2.819419431667706,2.3690875445793314,1.9921514943194483,1.6743623471084377,1.406072576456154,1.1807805457063791,4.39,4.39,4.39,4.39,4.39,4.39,4.39,4.39,4.39,4.39,4.39,4.35,4.35,4.35,4.35,4.35,4.35,4.35,4.35,4.35,4.35,4.35,first
+278,8.24,100,2.6733843616656304e+17,3.99,1.3837912309017721,72.3,Branched,Enzyme,1,0.043345491518663924,0.02948868429427308,3.94,3.188634869204386,2.7222135594465473,2.4088188484479804,2.1925428682083057,2.0348728774100624,1.918862736752814,1.833169586166981,1.7677388269308503,1.7173176220587238,1.6785408695430177,1.89,1.89,1.89,1.89,1.89,1.89,1.89,1.89,1.89,1.89,1.89,2.29,2.665682565397807,2.8988932202767264,3.0555905757760096,3.163728565895847,3.242563561294969,3.300568631623593,3.3434152069165095,3.376130586534575,3.401341188970638,3.4207295652284913,second
+280,10.22,97,2.3705433725443155e+17,3.89,1.358409157630355,24.2,Ring,Enzyme,0,0.18994270988615197,0.1371695375174292,7.28,2.2698891462907014,1.344690231200432,0.9560010042157946,0.741135664920315,0.60531009060623,0.5114441879039617,0.4432315284961,0.39056022882592617,0.34920510240547864,0.3157906883993671,1.21,1.21,1.21,1.21,1.21,1.21,1.21,1.21,1.21,1.21,1.21,0.35,2.8550554268546486,3.3176548843997837,3.5119994978921025,3.6194321675398426,3.687344954696885,3.734277906048019,3.76838423575195,3.794719885587037,3.8153974487972606,3.8321046558003165,second
+275,11.98,99,9.561197812579314e+16,3.94,1.3711807233098425,133.4,Branched,None,0,0.014974858875108557,0.010731828580985963,1.52,1.3342783530180515,1.1918407246250549,1.07818965772304,0.9855682572786408,0.9093873631529801,0.8454621575995956,0.789984820624553,0.7409976858135653,0.6980058131196729,0.6599377626559315,3.87,3.7771391765090256,3.7059203623125274,3.64909482886152,3.6027841286393203,3.56469368157649,3.532731078799798,3.5049924103122767,3.480498842906783,3.4590029065598364,3.439968881327966,3.22,3.3128608234909747,3.384079637687473,3.44090517113848,3.48721587136068,3.5253063184235103,3.5572689212002024,3.5850075896877236,3.6095011570932174,3.630997093440164,3.6500311186720342,third
+270,3.6,93,1.5854349608260397e+17,3.93,1.3686394258811698,125.0,Linear,Base,1,0.16127500223241492,0.1173821067900614,9.64,6.215146486003653,6.207615321237128,6.207646821134961,6.2075252530313705,6.207598294597494,6.207737898519368,6.207488387343666,6.207728191523955,6.207582261432579,6.207711280612557,1.81,0.09757324300182647,0.09380766061856367,0.09382341056748043,0.09376262651568468,0.09379914729874686,0.09386894925968385,0.09374419367183282,0.09386409576197743,0.09379113071628951,0.09385564030627812,3.25,4.962426756998174,4.966192339381438,4.9661765894325205,4.966237373484317,4.966200852701254,4.966131050740318,4.966255806328168,4.9661359042380235,4.966208869283712,4.966144359693724,third
+273,11.59,97,2.5382670398736515e+17,3.64,1.2919836816486494,80.1,Ring,Base,1,0.06987249608397089,0.05198333959888436,5.11,3.5231888494097747,2.8455453364240895,2.5027556506093984,2.316846277013859,2.209259466269707,2.147227810768683,2.110102518282441,2.0873113280003563,2.07457391531802,2.066439655347457,3.62,3.62,3.62,3.62,3.62,3.62,3.62,3.62,3.62,3.62,3.62,4.14,4.9334055752951125,5.272227331787955,5.443622174695301,5.536576861493071,5.590370266865147,5.6213860946156595,5.639948740858779,5.651344335999822,5.65771304234099,5.661780172326271,second
+271,11.73,92,3.338755948191055e+17,1.04,0.03922071315328133,55.0,Unknown,None,0,0.6168098499445857,0.4177333487650093,9.13,5.572872044550194,3.402620841437042,2.076518813727945,1.26974655470687,0.774946393789053,0.47373404502994465,0.2891556595758479,0.17674923968608644,0.10789410520738295,0.06597040495463224,3.44,3.44,3.44,3.44,3.44,3.44,3.44,3.44,3.44,3.44,3.44,0.94,0.94,0.94,0.94,0.94,0.94,0.94,0.94,0.94,0.94,0.94,first
+276,2.22,95,4.706808276274303e+17,3.56,1.269760544863939,103.8,Unknown,Enzyme,0,0.4929043521301168,0.2829849791645852,3.35,3.3280615444319084,3.322173435182272,3.3205880257661127,3.3201593735888197,3.3200432497191614,3.3200118930236484,3.320003196737622,3.3200007636438453,3.320000444769442,3.3200001270326536,0.03,0.008061544431908185,0.0021734351822711826,0.0005880257661119383,0.00015937358881924643,4.324971916053916e-05,1.1893023647843648e-05,3.1967376210151045e-06,7.636438446428201e-07,4.447694409952026e-07,1.2703265266107494e-07,4.76,4.781938455568091,4.7878265648177285,4.789411974233888,4.789840626411181,4.789956750280839,4.789988106976352,4.78999680326238,4.789999236356156,4.789999555230559,4.789999872967347,second
+273,3.22,93,4.662087318182466e+17,0.95,-0.05129329438755058,52.3,Linear,Enzyme,0,0.7476867830911658,0.456723788897676,1.16,0.481476798414618,0.3562107573233725,0.2953191640223945,0.2579032171697906,0.231743454922959,0.21241180178216046,0.19703844726107086,0.1846003327085689,0.1743124245883006,0.16556084463432852,2.28,2.28,2.28,2.28,2.28,2.28,2.28,2.28,2.28,2.28,2.28,1.45,1.6761744005284605,1.7179297475588755,1.7382269453258683,1.7506989276100695,1.7594188483590134,1.7658627327392795,1.7709871842463094,1.7751332224304766,1.7785625251372328,1.7814797184552236,third
+270,10.29,95,3.390574055333537e+17,4.89,1.5871923034867805,152.6,Ring,Base,0,0.14149940917955406,0.09480001326998169,9.09,7.531612719616455,6.957003474414958,6.711533508302263,6.599715496180903,6.547396123633843,6.522642499283726,6.510847710180149,6.505198152801043,6.502488461940067,6.501194279061126,2.59,1.0316127196164544,0.4570034744149569,0.21153350830226178,0.0997154961809016,0.04739612363384092,0.022642499283724023,0.01084771018014773,0.005198152801041008,0.0024884619400654404,0.0011942790611249047,3.48,5.038387280383545,5.612996525585042,5.858466491697738,5.970284503819097,6.022603876366158,6.0473575007162745,6.059152289819851,6.064801847198957,6.067511538059933,6.068805720938874,second
+274,5.65,99,7.048855189242449e+16,0.93,-0.07257069283483537,67.6,Branched,None,1,0.00942620956073868,0.006399039683838689,3.6,2.9118300443800993,2.5529481531481832,2.309482429864784,2.142383134328627,2.019490397013573,1.9281201612902537,1.8582713983195576,1.8021156369228348,1.757192214757329,1.7209696550426894,1.11,1.11,1.11,1.11,1.11,1.11,1.11,1.11,1.11,1.11,1.11,4.76,4.989389985206634,5.109017282283939,5.190172523378405,5.245872288557124,5.28683653432881,5.317293279569916,5.340576200560148,5.359294787692388,5.374269261747557,5.386343448319104,third
+278,7.63,93,4.4718627116149894e+17,1.34,0.29266961396282004,192.5,Unknown,Enzyme,0,1.4985775209463605,1.072443278582723,2.04,0.6158589883308159,0.18573840604479944,0.05605263300391778,0.016935496111301015,0.005117403085544162,0.0015440164247249183,0.00046573645235441783,0.00014049523374348754,4.234439771970094e-05,1.2998576103858742e-05,3.49,3.49,3.49,3.49,3.49,3.49,3.49,3.49,3.49,3.49,3.49,2.79,4.2141410116691835,4.644261593955201,4.773947366996083,4.8130645038887,4.824882596914456,4.828455983575275,4.829534263547646,4.829859504766256,4.82995765560228,4.829987001423896,first
+279,11.22,98,8.399673438946563e+16,3.57,1.2725655957915476,92.2,Linear,None,1,0.03766590525329267,0.020302388268348355,8.7,8.457162762189169,8.225329788151736,8.003997256403018,7.792692308617044,7.590965657117732,7.398385203266615,7.214536037462836,7.039020439143156,6.871457876781946,6.711485007891195,2.71,2.71,2.71,2.71,2.71,2.71,2.71,2.71,2.71,2.71,2.71,0.84,1.0828372378108304,1.3146702118482618,1.5360027435969807,1.7473076913829542,1.9490343428822654,2.141614796733383,2.325463962537161,2.500979560856842,2.6685421232180513,2.828514992108803,first
+271,7.89,91,8.395517280561274e+16,4.43,1.4883995840570443,161.8,Unknown,Base,1,0.24175128774752278,0.20758985701634233,5.63,5.032540634095644,5.029775930813035,5.029700417303237,5.029804821488177,5.029701293133885,5.029851740553368,5.029725854554807,5.029744115338251,5.029754719259502,5.029801936720475,0.33,0.031270317047821926,0.029887965406517603,0.02985020865161818,0.029902410744088656,0.029850646566942276,0.029925870276683548,0.029862927277402897,0.029872057669125155,0.029877359629750525,0.02990096836023715,0.58,0.8787296829521781,0.8801120345934824,0.8801497913483819,0.8800975892559114,0.8801493534330578,0.8800741297233164,0.8801370727225972,0.8801279423308749,0.8801226403702495,0.8800990316397629,third
+280,3.98,94,1.5906292588378445e+17,0.7,-0.35667494393873245,114.0,Unknown,Base,0,0.4624031257549507,0.23312490791546436,2.22,0.8437799095999212,0.5201249315805877,0.37618806532824184,0.29429361016859945,0.24198558587773092,0.20520386589919917,0.178413767971631,0.15764881841597045,0.14118777795804266,0.12784387227453417,1.01,1.01,1.01,1.01,1.01,1.01,1.01,1.01,1.01,1.01,1.01,2.94,3.6281100452000397,3.7899375342097064,3.861905967335879,3.9028531949157004,3.9290072070611344,3.9473980670504,3.9607931160141843,3.9711755907920145,3.979406111020978,3.9860780638627324,second
+276,3.48,100,2.3760399422253056e+17,4.97,1.6034198401085373,90.3,Unknown,Acid,0,0.02815632660694023,0.018476490735005163,5.91,5.778364995155941,5.649661933465735,5.523825510822922,5.4007918235691905,5.2804984572572256,5.162884468777971,5.0478901984980915,4.935457268378663,4.825528581975176,4.7180483244375315,4.59,4.59,4.59,4.59,4.59,4.59,4.59,4.59,4.59,4.59,4.59,3.32,3.32,3.32,3.32,3.32,3.32,3.32,3.32,3.32,3.32,3.32,first
+271,11.24,95,3.949688250141625e+16,4.98,1.6054298910365616,176.7,Branched,Base,1,0.019269272210548635,0.01727292182631732,3.18,3.092834799722504,3.013277874451473,2.94045968991513,2.873665112765715,2.812311322980093,2.755863510373767,2.7038344815903024,2.655784660101326,2.6113220862065285,2.570102417033661,2.02,1.932834799722504,1.8532778744514726,1.7804596899151302,1.7136651127657148,1.6523113229800928,1.5958635103737668,1.5438344815903022,1.4957846601013263,1.4513220862065284,1.4101024170336607,0.56,0.6471652002774964,0.7267221255485277,0.7995403100848703,0.8663348872342856,0.9276886770199075,0.9841364896262335,1.036165518409698,1.0842153398986742,1.1286779137934722,1.1698975829663396,second
+273,12.86,93,1.4136770226435091e+17,4.33,1.4655675420143985,97.2,Linear,Enzyme,1,0.2267198259603369,0.1441013887303822,6.86,5.478540679138358,5.475765682112977,5.47567571723912,5.475980809923856,5.4758104488193435,5.475712697386662,5.475674771774332,5.475967526077499,5.475843065111364,5.475778845437515,0.76,0.06927033956917894,0.06788284105648867,0.06783785861956049,0.06799040496192835,0.06790522440967171,0.06785634869333106,0.06783738588716624,0.06798376303874926,0.0679215325556819,0.06788942271875718,2.51,3.200729660430821,3.2021171589435116,3.2021621413804398,3.202009595038072,3.202094775590328,3.202143651306669,3.202162614112834,3.2020162369612506,3.202078467444318,3.2021105772812426,third
+277,10.34,90,2.4804502632330637e+17,2.63,0.9669838461896731,44.4,Linear,None,1,2.6446845364422003,1.9787921097846992,8.15,2.3031800251505095,2.306340057650487,2.302668635009508,2.302751198043963,2.306797832864774,2.3028651130137456,2.304055683502865,2.3055179795590774,2.3017903653283582,2.3042706090508243,4.74,4.74,4.74,4.74,4.74,4.74,4.74,4.74,4.74,4.74,4.74,4.17,7.093409987424745,7.091829971174757,7.093665682495247,7.093624400978019,7.091601083567614,7.093567443493129,7.0929721582485685,7.092241010220463,7.094104817335824,7.0928646954745895,second
+277,8.84,97,1.5556378294459936e+17,1.04,0.03922071315328133,57.8,Ring,Enzyme,0,0.0793770985472836,0.05559072802016677,9.68,1.6030135280249609,1.1405624373382541,0.9336367181929487,0.8087573212177538,0.7244483707593791,0.661190570424221,0.6122699223357267,0.5732113864940677,0.5405355944546243,0.5127483228043129,2.14,2.14,2.14,2.14,2.14,2.14,2.14,2.14,2.14,2.14,2.14,2.68,5.37232882399168,5.526479187553915,5.595454427269017,5.637080892927415,5.66518387641354,5.686269809858593,5.702576692554757,5.715596204501978,5.726488135181792,5.735750559065229,third
+279,7.76,95,2.7914158301230678e+17,3.21,1.1662709371419244,172.0,Branched,Enzyme,0,0.4562402810521315,0.2519819950409988,6.26,4.16194371333225,3.8322383853072877,3.7556923864259337,3.736570890177458,3.731681998448269,3.7304316890013007,3.7301111689616,3.7300287287867087,3.7300075286927843,3.7300019564446356,2.53,0.4319437133322508,0.10223838530728838,0.02569238642593453,0.006570890177458799,0.001681998448269743,0.00043168900130099416,0.00011116896160052575,2.8728786708974112e-05,7.5286927845164365e-06,1.9564446356715885e-06,1.23,3.328056286667749,3.6577616146927117,3.7343076135740656,3.7534291098225414,3.7583180015517303,3.7595683109986986,3.759888831038399,3.7599712712132907,3.759992471307215,3.7599980435553637,second
+271,6.19,96,1.4187410532565536e+17,3.55,1.2669476034873244,83.7,Ring,Base,1,0.04440694729746945,0.031003271573991485,4.96,3.8288491809695744,3.4003691052434375,3.180149246661795,3.0506766178543727,2.969978368915993,2.9172524829373145,2.8824258557842373,2.8585193748129445,2.8423340412613034,2.8312410009678395,1.21,0.6444245904847874,0.43018455262171884,0.3200746233308976,0.25533830892718645,0.2149891844579967,0.1886262414686575,0.17121292789211875,0.15925968740647245,0.15116702063065185,0.14562050048392003,0.42,0.9855754095152125,1.199815447378281,1.3099253766691021,1.3746616910728133,1.4150108155420031,1.4413737585313424,1.458787072107881,1.4707403125935274,1.478832979369348,1.48437949951608,third
+274,11.22,92,3.2343496439219354e+17,4.18,1.430311246536665,58.1,Branched,Enzyme,0,0.9343622240301435,0.5711654427900872,9.64,6.694036116923438,6.680095383293645,6.680000629437985,6.67999944615695,6.680000081490894,6.680000206243994,6.67999977300155,6.680000152571571,6.680000202282627,6.680000736234072,2.96,0.014036116923437054,9.538329364318578e-05,6.294379834351722e-07,-5.538430527439405e-07,8.149089156708853e-08,2.062439916828039e-07,-2.2699845135366114e-07,1.525715695822583e-07,2.02282625016568e-07,7.362340695351199e-07,4.89,7.835963883076563,7.849904616706356,7.849999370562016,7.850000553843051,7.849999918509107,7.849999793756007,7.850000226998451,7.84999984742843,7.849999797717374,7.8499992637659295,second
+273,2.53,99,4.9662813439461946e+17,2.61,0.959350221334602,115.1,Branched,Base,0,0.05663893653674616,0.03383935949265922,2.36,2.2554521528795974,2.15553578735461,2.060045596594276,1.968784217591089,1.8815656161475396,1.7982118312375226,1.718551839238288,1.6424215539304385,1.5696638264979315,1.5001284455280768,3.16,3.16,3.16,3.16,3.16,3.16,3.16,3.16,3.16,3.16,3.16,0.16,0.16,0.16,0.16,0.16,0.16,0.16,0.16,0.16,0.16,0.16,first
+272,11.99,95,8.852070419292453e+16,4.31,1.4609379041156563,195.3,Linear,Enzyme,0,0.05042777092632795,0.02698281064826778,1.51,1.4502956483011258,1.3929519718208354,1.3378755787064323,1.284976369635043,1.234168739689302,1.1853703835916782,1.1385019112185493,1.0934868476002018,1.0502516329208305,1.008725622518539,3.74,3.74,3.74,3.74,3.74,3.74,3.74,3.74,3.74,3.74,3.74,2.57,2.629704351698874,2.687048028179164,2.7421244212935676,2.7950236303649567,2.8458312603106974,2.8946296164083214,2.9414980887814504,2.986513152399798,3.0297483670791694,3.0712743774814606,first
+278,7.13,92,5.251242834839136e+16,3.25,1.1786549963416462,73.4,Unknown,Enzyme,0,0.2712401828216986,0.1361320811777583,3.56,3.343007853742641,3.126015707485282,2.9090235612279236,2.6920314149705646,2.4750392687132057,2.2580471224558463,2.0410549761984877,1.8240628299411286,1.6070706836837698,1.3900785374264104,3.75,3.75,3.75,3.75,3.75,3.75,3.75,3.75,3.75,3.75,3.75,2.14,2.356992146257359,2.573984292514718,2.7909764387720766,3.0079685850294355,3.2249607312867945,3.441952877544154,3.6589450238015124,3.8759371700588714,4.09292931631623,4.309921462573589,zero
+272,4.66,98,3.1412260052342656e+17,3.37,1.2149127443642704,53.4,Unknown,None,0,0.047488224751230546,0.027177698973576195,6.11,1.9830815451960826,1.4410815515851771,1.1878572850637223,1.0343719826221696,0.9273117596447054,0.8482351903115063,0.7868974307051682,0.7366313736473918,0.6949251959819296,0.6595824671845777,1.77,1.77,1.77,1.77,1.77,1.77,1.77,1.77,1.77,1.77,1.77,0.12,1.495639484934639,1.6763061494716076,1.7607142383120926,1.8118760057926102,1.8475627467850981,1.8739216032294979,1.8943675230982773,1.9111228754508693,1.92502493467269,1.9368058442718075,third
+274,11.04,100,4.598753182847518e+17,3.67,1.3001916620664788,146.7,Ring,Enzyme,1,0.03964736654529856,0.027680642473345902,7.42,4.941857312906603,4.3600286502877195,4.120271538489561,4.003983093926206,3.942998489917608,3.910365719667055,3.892291419612351,3.8823959346007193,3.876748178776295,3.873698696607331,1.94,0.7009286564533013,0.4100143251438593,0.2901357692447803,0.2319915469631028,0.20149924495880384,0.1851828598335273,0.1761457098061752,0.17119796730035935,0.16837408938814744,0.16684934830366535,1.76,2.9990713435466985,3.28998567485614,3.409864230755219,3.4680084530368966,3.4985007550411957,3.5148171401664725,3.5238542901938246,3.5288020326996405,3.5316259106118526,3.5331506516963347,third
+271,9.03,98,3.8612873350320736e+17,4.99,1.6074359097634274,64.3,Unknown,None,1,0.04974741088059254,0.030001049032384472,6.37,2.993118347922045,2.267796326741434,1.9322545459457985,1.7394940561146968,1.6192227400799604,1.5377613844919942,1.482178917839484,1.4429702825368862,1.4143916658809075,1.3936797491147954,3.44,1.7515591739610223,1.388898163370717,1.221127272972899,1.1247470280573484,1.0646113700399802,1.023880692245997,0.996089458919742,0.9764851412684431,0.9621958329404537,0.9518398745573977,0.21,1.8984408260389773,2.261101836629283,2.428872727027101,2.5252529719426517,2.5853886299600197,2.626119307754003,2.6539105410802577,2.673514858731557,2.6878041670595465,2.6981601254426026,third
+270,4.17,97,8.87992029235309e+16,1.82,0.598836501088704,162.3,Unknown,None,0,0.015203837727303517,0.01285082690258596,7.63,6.515003522522917,5.995621173996332,5.70218131456692,5.5210679299062075,5.402193941029433,5.322117018190235,5.266736673259994,5.227802846423584,5.200393973617648,5.180736397102131,1.25,0.6925017612614585,0.432810586998166,0.2860906572834601,0.1955339649531037,0.1360969705147167,0.09605850909511766,0.06836833662999749,0.048901423211792555,0.035196986808824215,0.02536819855106607,4.08,4.637498238738542,4.8971894130018345,5.043909342716541,5.134466035046897,5.193903029485283,5.233941490904883,5.261631663370003,5.281098576788208,5.294803013191176,5.304631801448934,third
+273,8.94,94,3.4618445651914976e+17,4.59,1.5238800240724537,152.8,Ring,Acid,1,0.35735863167698634,0.2547635977536469,7.67,6.1320540287544185,6.132111502010707,6.132038399019827,6.1319887157323505,6.1321149400425,6.132025880462989,6.132279267849342,6.131971441152544,6.132135618670394,6.132107738090906,0.83,0.061027014377209005,0.06105575100535278,0.06101919950991269,0.060994357866174166,0.061057470021248755,0.06101294023149323,0.061139633924670006,0.06098572057627048,0.06106780933519497,0.06105386904545097,2.45,3.218972985622791,3.2189442489946467,3.218980800490087,3.219005642133825,3.21894252997875,3.2189870597685055,3.218860366075329,3.219014279423728,3.218932190664803,3.218946130954547,third
+273,9.14,95,1.3182618296261205e+17,1.22,0.19885085874516517,170.1,Ring,Base,0,0.08759025712021017,0.05503362770929297,7.67,7.150944109712767,6.66701481367531,6.215797805500247,5.795070999636159,5.402835376823013,5.037193708326504,4.696348983461377,4.378604409591416,4.082363412129457,3.8061296345373767,2.63,2.63,2.63,2.63,2.63,2.63,2.63,2.63,2.63,2.63,2.63,4.09,4.609055890287233,5.0929851863246896,5.544202194499753,5.964929000363841,6.3571646231769865,6.722806291673495,7.063651016538623,7.381395590408584,7.677636587870543,7.953870365462623,first
+273,3.36,100,3.1163409061583475e+17,3.87,1.3532545070416904,34.8,Ring,Base,0,0.02287631897861251,0.01290738600691452,7.59,7.5716989448171095,7.55339788963422,7.53509683445133,7.516795779268439,7.498494724085549,7.480193668902659,7.461892613719769,7.4435915585368795,7.425290503353989,7.406989448171099,4.53,4.53,4.53,4.53,4.53,4.53,4.53,4.53,4.53,4.53,4.53,2.8,2.81830105518289,2.83660211036578,2.85490316554867,2.87320422073156,2.89150527591445,2.90980633109734,2.92810738628023,2.94640844146312,2.96470949664601,2.9830105518289,zero
+272,10.8,91,2.5509535149902298e+17,3.7,1.308332819650179,170.1,Branched,None,1,0.8521414094471024,0.46576223011990925,9.54,6.547297549775939,5.503751598797028,5.139331014547666,5.01162529759227,4.968239335533425,4.952813318239405,4.947089258000096,4.94524146886967,4.945256086798954,4.944589448332875,4.53,4.53,4.53,4.53,4.53,4.53,4.53,4.53,4.53,4.53,4.53,4.45,7.442702450224061,8.486248401202971,8.850668985452334,8.978374702407729,9.021760664466576,9.037186681760595,9.042910741999904,9.04475853113033,9.044743913201046,9.045410551667125,first
+275,9.61,93,6.5055982599363224e+16,3.86,1.3506671834767394,58.3,Branched,Base,0,0.1405541618885054,0.1194128928558876,1.97,1.570346019416851,1.2992829614470713,1.102713101425949,0.9553621791965082,0.8394741223034864,0.7457031325941477,0.6691348712529184,0.6054572558881195,0.5512155943267365,0.5045164819277524,2.23,1.8303460194168513,1.5592829614470716,1.3627131014259493,1.2153621791965086,1.0994741223034865,1.005703132594148,0.9291348712529186,0.8654572558881197,0.8112155943267367,0.7645164819277527,3.35,3.749653980583149,4.020717038552928,4.217286898574051,4.364637820803492,4.480525877696514,4.574296867405852,4.650865128747082,4.71454274411188,4.768784405673264,4.815483518072248,second
+276,7.07,90,3.973098084187123e+17,3.44,1.235471471385307,134.8,Branched,Acid,0,3.6768788304141657,2.4643818025908675,7.23,0.1666337532483651,0.08428933899101826,0.056412877278138665,0.04242867677596562,0.0339556364173345,0.02834114804592588,0.02428287299456717,0.02127248980235501,0.01891981397747731,0.017024871754638505,0.35,0.35,0.35,0.35,0.35,0.35,0.35,0.35,0.35,0.35,0.35,1.01,4.541683123375818,4.582855330504492,4.596793561360932,4.603785661612018,4.608022181791333,4.6108294259770375,4.6128585635027175,4.6143637550988235,4.615540093011262,4.616487564122681,second
+275,8.14,92,4.55155333097544e+17,2.17,0.7747271675523681,77.8,Branched,Acid,0,1.5228850052733025,1.08939319867924,1.66,0.11589298144303624,0.06102121794436474,0.04149656800665944,0.03147376937359208,0.025345320101755206,0.02122140119872452,0.018240409117881863,0.016018032669435075,0.014264652170294451,0.012854312828088375,3.98,3.2079464907215187,3.180510608972183,3.1707482840033303,3.165736884686797,3.1626726600508785,3.160610700599363,3.159120204558942,3.1580090163347183,3.157132326085148,3.156427156414045,3.68,4.452053509278483,4.479489391027818,4.489251715996671,4.494263115313205,4.497327339949124,4.499389299400639,4.500879795441061,4.501990983665284,4.502867673914854,4.503572843585958,third
+275,12.61,92,4.0908460617228736e+17,2.32,0.8415671856782185,68.6,Linear,Acid,1,1.3687389058767734,1.2266395830996235,5.87,1.6962097576783515,1.694176512656386,1.692181108387528,1.6933102786175322,1.6961568035940184,1.6945739577738506,1.6928705408289038,1.6930714288692281,1.6950449111119732,1.6944194351676956,3.25,3.25,3.25,3.25,3.25,3.25,3.25,3.25,3.25,3.25,3.25,4.03,5.4212634141072185,5.421941162447872,5.42260629720416,5.422229907127494,5.421281065468665,5.421808680742054,5.422376486390369,5.422309523710261,5.421651696296013,5.421860188277439,third
+277,3.88,94,2.6074155269832058e+17,0.67,-0.40047756659712525,99.6,Unknown,Enzyme,1,0.48948064864122043,0.36661540063860903,8.88,2.4438489972863855,2.3922559533042227,2.3906089476397137,2.3904743664828736,2.392560795222084,2.393525132297701,2.391222156252291,2.3894280130804995,2.390740101945187,2.3922638934703757,3.92,3.92,3.92,3.92,3.92,3.92,3.92,3.92,3.92,3.92,3.92,4.39,7.608075501356807,7.633872023347889,7.634695526180144,7.634762816758564,7.633719602388958,7.63323743385115,7.634388921873855,7.6352859934597515,7.634629949027407,7.633868053264813,second
+271,1.73,95,4.741700244609114e+17,3.34,1.205970806988609,68.3,Linear,Acid,1,0.23133246719135828,0.16790199966452143,8.58,2.7213525832994576,2.282318596762797,2.2130931735623167,2.2014793222132383,2.1994997388315305,2.1983388214092323,2.1993650780961826,2.196361746982568,2.200997210200949,2.19969435095814,3.49,3.49,3.49,3.49,3.49,3.49,3.49,3.49,3.49,3.49,3.49,3.47,6.399323708350272,6.618840701618602,6.653453413218842,6.6592603388933815,6.660250130584235,6.660830589295384,6.660317460951909,6.661819126508716,6.659501394899525,6.66015282452093,second
+271,7.68,100,1.253382377127322e+17,1.1,0.09531017980432493,66.6,Branched,None,1,0.006646798681793475,0.0037029780939267115,8.81,8.774852363404626,8.739994541505618,8.705424144616241,8.671138802667228,8.637136164978434,8.603413900817776,8.569969698495314,8.536801265129837,8.50390632664886,8.471282627788623,2.5,2.5,2.5,2.5,2.5,2.5,2.5,2.5,2.5,2.5,2.5,3.9,3.9351476365953735,3.970005458494383,4.004575855383759,4.038861197332774,4.0728638350215665,4.106586099182226,4.140030301504688,4.173198734870165,4.206093673351141,4.2387173722113785,first
+271,13.39,92,3.0462342041413715e+17,2.55,0.9360933591703348,113.6,Linear,Acid,1,0.5627686753715921,0.39468384954172836,8.17,4.670193593215221,4.670257439728262,4.670227612468522,4.669958422531164,4.670235096031821,4.6701725805758265,4.670101952971959,4.670066701645854,4.670281869436344,4.670207605179915,1.83,0.08009679660761138,0.08012871986413155,0.08011380623426169,0.07997921126558317,0.08011754801591114,0.08008629028791463,0.08005097648598045,0.08003335082292845,0.08014093471817386,0.08010380258995876,0.74,2.489903203392389,2.4898712801358687,2.489886193765739,2.4900207887344177,2.4898824519840894,2.4899137097120865,2.4899490235140203,2.489966649177073,2.4898590652818275,2.4898961974100424,third
+273,4.84,92,4.805532462149317e+16,4.04,1.3962446919730587,53.9,Branched,Acid,0,0.11973563005293038,0.10542316030601274,5.88,2.7717382983205394,1.8121267875111648,1.3459966101336087,1.0718787804620455,0.8889609639021196,0.7606984983345813,0.664011989856931,0.5890195887446317,0.52981514654074,0.48137820758650374,2.12,2.12,2.12,2.12,2.12,2.12,2.12,2.12,2.12,2.12,2.12,1.97,3.5241308508397307,4.003936606244418,4.237001694933197,4.374060609768978,4.465519518048941,4.52965075083271,4.5779940050715355,4.615490205627685,4.64509242672963,4.669310896206749,second
+279,7.43,100,1.2608626331633085e+17,1.72,0.5423242908253617,42.2,Ring,Acid,0,0.023872527057813855,0.01727127504585276,5.8,5.690282502051045,5.582640509845024,5.477034761622056,5.373426719707919,5.271778591037373,5.172053340153744,5.074214601511765,4.978226676933951,4.884054535610598,4.7916638140997865,0.22,0.22,0.22,0.22,0.22,0.22,0.22,0.22,0.22,0.22,0.22,0.75,0.75,0.75,0.75,0.75,0.75,0.75,0.75,0.75,0.75,0.75,first
+280,12.68,90,2.5334186735800723e+17,0.9,-0.10536051565782628,186.1,Linear,Acid,1,4.105772254539847,2.5797507104671915,8.2,1.4449137753287962,1.446004361051095,1.4471468054816126,1.4476913356215326,1.4467674256726895,1.4456338610276973,1.4449375067649866,1.4451173007453277,1.4460738469225285,1.4465319587496377,0.96,0.96,0.96,0.96,0.96,0.96,0.96,0.96,0.96,0.96,0.96,2.56,4.811695408223732,4.811331879649631,4.81095106483946,4.810769554792818,4.811077524775766,4.81145537965743,4.811687497745001,4.811627566418221,4.811308717692491,4.811156013750122,third
+274,9.52,90,3.289456164019005e+17,0.51,-0.6733445532637656,180.5,Unknown,Enzyme,0,2.2863405730329744,1.6396124500110354,9.8,1.5748832665646857,0.2531721409898165,0.04070729781814681,0.0065473834251499165,0.0010535495185010173,0.00016990317696104356,2.7155763402459198e-05,4.404440885412148e-06,6.456646193540904e-07,1.9521977375404296e-07,4.62,4.62,4.62,4.62,4.62,4.62,4.62,4.62,4.62,4.62,4.62,3.38,11.605116733435313,12.926827859010183,13.139292702181853,13.17345261657485,13.178946450481499,13.17983009682304,13.179972844236598,13.179995595559115,13.179999354335381,13.179999804780225,first
+278,12.72,95,2.116217151324999e+17,3.41,1.2267122912954254,153.8,Linear,None,1,0.29850295326908427,0.18726526808021315,2.41,1.482681751853194,1.3061886683343846,1.2629968911587008,1.2515759252679923,1.2485801343810967,1.2481551717420545,1.2474966986459097,1.2478477230949274,1.2477641507747983,1.2476811889198334,0.66,0.66,0.66,0.66,0.66,0.66,0.66,0.66,0.66,0.66,0.66,1.9,2.363659124073403,2.4519056658328076,2.473501554420649,2.4792120373660036,2.480709932809451,2.480922414128972,2.4812516506770446,2.4810761384525355,2.4811179246126,2.4811594055400823,second
+276,10.06,95,2.2457379121852906e+17,1.26,0.23111172096338664,40.8,Branched,Base,0,0.2351771998531308,0.20926836590181608,1.24,0.7950381964837241,0.5428517259208054,0.38530239011540685,0.279755905730684,0.20692206082326076,0.15456648585133034,0.11649308853989494,0.08845143941988114,0.0673654340702978,0.05148665252340531,2.61,2.165038196483724,1.9128517259208053,1.7553023901154068,1.6497559057306839,1.5769220608232606,1.5245664858513301,1.4864930885398948,1.458451439419881,1.4373654340702977,1.4214866525234051,0.38,0.824961803516276,1.0771482740791947,1.2346976098845932,1.3402440942693161,1.4130779391767394,1.4654335141486698,1.5035069114601052,1.531548560580119,1.5526345659297023,1.5685133474765949,second
+271,2.83,94,4.9788543360127386e+17,2.5,0.9162907318741551,59.6,Branched,Acid,0,0.37860524399253986,0.339502619526543,8.54,6.308221634829279,4.659816782992511,3.4387166177579624,2.540604645910511,1.880471881077789,1.3884641042860921,1.0252901190791437,0.7585102803317079,0.5605161363861333,0.4140544558286273,1.64,1.64,1.64,1.64,1.64,1.64,1.64,1.64,1.64,1.64,1.64,2.7,2.7,2.7,2.7,2.7,2.7,2.7,2.7,2.7,2.7,2.7,first
+275,8.43,90,4.4960102839170157e+17,4.84,1.5769147207285403,27.5,Ring,Enzyme,0,3.607752880532609,2.857956468139257,3.71,0.20734295506446623,0.011599759712804648,0.0006487877271585793,3.649212688724497e-05,2.2631356882799464e-06,1.625017134145477e-07,1.386870750297217e-07,5.114741425751785e-07,-2.621775013583589e-07,1.827562301675912e-07,2.7,2.7,2.7,2.7,2.7,2.7,2.7,2.7,2.7,2.7,2.7,2.99,6.492657044935534,6.688400240287197,6.699351212272843,6.699963507873113,6.699997736864312,6.699999837498288,6.699999861312926,6.699999488525859,6.700000262177502,6.6999998172437705,first
+278,8.76,91,4.554923898042076e+17,4.92,1.5933085305042167,190.8,Linear,Enzyme,0,3.626387645774215,2.3922140049774705,3.91,0.2153218344698329,0.011870926385034886,0.0006545638523506201,3.592519384666275e-05,2.04224184965233e-06,-3.109872865084736e-08,-4.6507793032930554e-07,3.8866784092173156e-07,9.707745857795794e-07,2.4837870583623705e-07,3.2,3.2,3.2,3.2,3.2,3.2,3.2,3.2,3.2,3.2,3.2,0.78,4.474678165530167,4.678129073614965,4.689345436147649,4.689964074806153,4.68999795775815,4.6900000310987275,4.69000046507793,4.6899996113321585,4.6899990292254135,4.6899997516212935,first
+277,10.6,92,7.4398414213521e+16,3.97,1.3787660946990992,161.2,Unknown,Base,1,0.33284956586574693,0.2596364048845874,1.85,1.4455134211518532,1.3490156256057098,1.324966157242191,1.3187692970844507,1.3168207525927027,1.3167657861373194,1.316193973679929,1.3167158322009231,1.3165012641615987,1.3164635741933617,3.54,3.135513421151853,3.0390156256057095,3.0149661572421906,3.0087692970844504,3.006820752592703,3.00676578613732,3.0061939736799297,3.0067158322009235,3.0065012641615994,3.0064635741933623,4.54,4.944486578848147,5.040984374394291,5.065033842757809,5.07123070291555,5.073179247407298,5.073234213862681,5.073806026320072,5.073284167799077,5.073498735838402,5.073536425806639,second
+270,13.8,98,2.951311239752808e+17,3.58,1.275362800412609,71.9,Linear,Acid,0,0.03236611352126553,0.021784525640023967,6.96,2.3871359064998665,1.739981942471002,1.4362458282112796,1.2496554510848226,1.1221738064153397,1.0263322938969857,0.9513453977581512,0.8913559159202595,0.8414779363656649,0.7986969734159154,2.32,2.32,2.32,2.32,2.32,2.32,2.32,2.32,2.32,2.32,2.32,0.27,1.7942880311667118,2.010006019176333,2.1112513905962405,2.1734481829717263,2.21594206452822,2.2478892353676714,2.27288486741395,2.2928813613599135,2.3095073545447784,2.3237676755280283,third
+279,13.69,91,3.045802164680383e+17,2.51,0.9202827531436925,58.1,Linear,None,1,2.7924252427340868,1.6740383349055297,3.43,2.8247461776690197,2.8082252442519025,2.8069139485769172,2.809284509412412,2.8082140886932883,2.8068746591587024,2.8062513894106473,2.806331917664602,2.8062496458908077,2.8077535695397335,2.15,2.15,2.15,2.15,2.15,2.15,2.15,2.15,2.15,2.15,2.15,4.06,4.665253822330978,4.681774755748097,4.683086051423082,4.680715490587588,4.6817859113067115,4.683125340841297,4.683748610589352,4.683668082335397,4.683750354109192,4.682246430460266,first
+274,4.57,91,4.2855782698775776e+17,1.12,0.11332868530700327,149.0,Branched,Enzyme,1,1.9203570926380131,1.4667895146846865,1.76,0.6302250527960872,0.6237182968834274,0.6232169431019522,0.6241573150411495,0.6232860603545459,0.6241639400358754,0.6235726157393565,0.6239854977836673,0.6238386482044885,0.6237649799238231,2.92,1.7902250527960868,1.783718296883427,1.7832169431019518,1.7841573150411492,1.7832860603545455,1.784163940035875,1.783572615739356,1.7839854977836669,1.783838648204488,1.7837649799238224,0.32,1.449774947203913,1.4562817031165727,1.456783056898048,1.4558426849588506,1.4567139396454543,1.4558360599641247,1.4564273842606437,1.4560145022163329,1.4561613517955119,1.4562350200761773,second
+275,10.73,95,3.292759733625717e+17,2.18,0.7793248768009977,65.2,Unknown,Acid,0,0.29662960937964555,0.152774463978713,2.57,2.02707972776056,1.598853756273672,1.2602457442952755,0.9936213627790629,0.7844644459654119,0.6195354261080133,0.4884454534116669,0.3851202350508237,0.303970899103797,0.23997690236310404,2.22,2.22,2.22,2.22,2.22,2.22,2.22,2.22,2.22,2.22,2.22,3.49,4.03292027223944,4.461146243726328,4.799754255704725,5.066378637220938,5.2755355540345885,5.440464573891987,5.571554546588334,5.674879764949177,5.756029100896203,5.820023097636897,first
+270,3.45,94,3.777254316471115e+17,1.2,0.1823215567939546,116.3,Branched,Enzyme,1,0.24610828559886225,0.2165901927724551,1.27,1.75908673393845,2.096924958707734,2.3308482639660038,2.490969976678209,2.6021351910211448,2.679466112747449,2.7320324800168874,2.7684710682593763,2.7939415551687024,2.811483101633562,2.35,2.35,2.35,2.35,2.35,2.35,2.35,2.35,2.35,2.35,2.35,4.82,4.33091326606155,3.993075041292266,3.7591517360339965,3.599030023321791,3.4878648089788555,3.4105338872525515,3.357967519983113,3.321528931740624,3.296058444831298,3.2785168983664383,first
+272,13.18,95,1.2820529910736536e+17,3.1,1.1314021114911006,68.6,Linear,None,1,0.07303497542040943,0.05906696408370996,8.16,1.9544546110038867,1.7155672697751727,1.6690816331261542,1.65844102741393,1.6558307408533646,1.6558310540831447,1.65494821062824,1.655849516903613,1.655386034744588,1.6554600272319915,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,3.44,5.508515129665371,5.5881442434082755,5.603639455624615,5.607186324195356,5.608056419715545,5.608056315305618,5.608350596457253,5.6080501610321285,5.608204655085137,5.608179990922669,third
+280,7.8,98,1.9370068481522317e+17,4.1,1.410986973710262,106.1,Unknown,Enzyme,1,0.10100592649230965,0.07682479939904632,1.3,1.4776920865190704,1.5133194761840236,1.519371812718142,1.520674110156498,1.5212857396626067,1.5205897120462364,1.5229943978837694,1.5209158394693048,1.518952296281267,1.520493698197234,2.12,2.12,2.12,2.12,2.12,2.12,2.12,2.12,2.12,2.12,2.12,4.7,4.640769304493643,4.62889350793866,4.626876062427287,4.6264419632811675,4.626238086779131,4.626470095984589,4.625668534038744,4.626361386843565,4.627015901239578,4.626502100600923,third
+275,5.89,97,1.4104675197585158e+17,3.99,1.3837912309017721,194.8,Ring,Base,1,0.05298043696366054,0.04537757802260862,1.34,1.2857311024773732,1.2355587726802335,1.1891730965403493,1.1463013530031618,1.1066847844747123,1.0700785437142148,1.0362516938340554,1.0049872082997926,0.9760819709301571,0.9493519602578311,3.68,3.68,3.68,3.68,3.68,3.68,3.68,3.68,3.68,3.68,3.68,0.01,0.0642688975226268,0.11444122731976647,0.16082690345965056,0.20369864699683815,0.24331521552528768,0.2799214562857852,0.31374830616594457,0.3450127917002073,0.3739180290698429,0.40064803974216884,first
+279,10.5,95,1.9484577542998947e+17,2.84,1.0438040521731147,175.5,Linear,Base,0,0.31846380745100106,0.22801038989584596,3.74,1.2877068436230774,0.778673649347557,0.5578013917443666,0.4348488156794947,0.35618172501000045,0.3017489562678669,0.261472972774515,0.2309930232523883,0.20680647684458034,0.18709152478977845,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,0.02,1.2461465781884615,1.5006631753262214,1.6110993041278168,1.6725755921602528,1.711909137495,1.7391255218660666,1.7592635136127426,1.7745034883738058,1.7865967615777099,1.796454237605111,second
+276,13.73,93,3.165371327873871e+17,2.39,0.8712933659434193,23.1,Linear,Base,0,0.7924764467863179,0.5815389012993762,2.68,0.40801618668343936,0.10714828418600383,0.031183938823781412,0.009314481150966173,0.002801795772892464,0.0008453351560120764,0.0002554721221165992,7.725538370706375e-05,2.327936007685097e-05,7.17367362977348e-06,4.57,2.2980161866834403,1.9971482841860047,1.9211839388237821,1.899314481150967,1.8928017957728933,1.890845335156013,1.8902554721221176,1.8900772553837082,1.890023279360078,1.890007173673631,4.14,6.41198381331656,6.712851715813995,6.788816061176218,6.8106855188490325,6.817198204227107,6.819154664843988,6.819744527877883,6.819922744616292,6.819976720639922,6.81999282632637,second
+278,1.04,100,3.855740038096717e+17,3.93,1.3686394258811698,142.7,Unknown,Base,0,0.06251586921656331,0.03316883997352293,5.91,5.6216944797414605,5.347453343807272,5.086589736311752,4.838445710663215,4.60240664629128,4.3778866885152246,4.164324687675647,3.9611841991344656,3.767953483274923,3.584145505501582,2.41,2.41,2.41,2.41,2.41,2.41,2.41,2.41,2.41,2.41,2.41,3.27,3.27,3.27,3.27,3.27,3.27,3.27,3.27,3.27,3.27,3.27,first
+273,13.87,91,3.592607224768742e+17,2.87,1.0543120297715298,63.2,Ring,Base,0,1.3907024366652174,0.9549303282008248,5.95,1.958684178722995,0.6445355433654826,0.21200067537567363,0.0697308574114193,0.022942443159987353,0.007551789569054491,0.0024867714101742535,0.000819034441587374,0.00026979833471190394,8.886292170653601e-05,1.31,1.31,1.31,1.31,1.31,1.31,1.31,1.31,1.31,1.31,1.31,1.52,1.52,1.52,1.52,1.52,1.52,1.52,1.52,1.52,1.52,1.52,first
+274,12.09,97,4.0567296481659085e+17,0.59,-0.527632742082372,29.4,Linear,Enzyme,1,0.13052180866149987,0.07437358938297339,5.32,1.5006634255858524,1.3488328815663957,1.3240841684905393,1.3195348304142676,1.3189698096047162,1.3186408754772387,1.3183688698170846,1.3180289476976899,1.3199167074745815,1.3188834175345259,4.22,4.22,4.22,4.22,4.22,4.22,4.22,4.22,4.22,4.22,4.22,2.69,3.9631121914713825,4.013722372811202,4.021971943836488,4.023488389861911,4.023676730131761,4.02378637484092,4.023877043394306,4.023990350767437,4.023361097508473,4.023705527488492,third
+276,10.55,99,3.319907383137164e+17,4.85,1.5789787049493917,56.6,Unknown,Acid,1,0.0608290456485941,0.047510690122699775,9.57,3.183296298106228,2.492017247351529,2.2366205392683876,2.120022119520991,2.0611780236900406,2.0310871548231395,2.0147210164139735,2.006646695968858,2.001810306477861,1.99926693641345,4.78,1.5866481490531141,1.2410086236757647,1.1133102696341939,1.0550110597604956,1.0255890118450204,1.0105435774115699,1.0023605082069869,0.998323347984429,0.9959051532389306,0.9946334682067252,1.28,4.4733518509468855,4.818991376324235,4.946689730365806,5.004988940239505,5.03441098815498,5.049456422588431,5.057639491793014,5.061676652015572,5.06409484676107,5.065366531793275,third
+280,11.21,98,3.3143837692270355e+17,1.91,0.6471032420585384,27.5,Ring,Enzyme,0,0.1728297469269143,0.14377176509033657,5.16,5.021736202458468,4.883472404916938,4.745208607375406,4.606944809833874,4.468681012292343,4.3304172147508115,4.19215341720928,4.053889619667749,3.9156258221262172,3.777362024584686,0.96,0.96,0.96,0.96,0.96,0.96,0.96,0.96,0.96,0.96,0.96,3.85,3.988263797541532,4.126527595083063,4.264791392624595,4.403055190166127,4.541318987707657,4.679582785249189,4.817846582790721,4.956110380332252,5.094374177873783,5.232637975415315,zero
+276,8.57,95,4.036117737640788e+17,1.34,0.29266961396282004,158.5,Branched,Acid,0,0.42266858597593876,0.37748148203930304,3.5,0.6469350546125602,0.3912878806274817,0.2850174181409015,0.22533356350845438,0.1869753232306682,0.1599642408916876,0.14010543620375118,0.1245727448680668,0.11220852046072366,0.10211946790679208,3.0,1.57346752730628,1.4456439403137407,1.3925087090704507,1.362666781754227,1.343487661615334,1.3299821204458437,1.3200527181018755,1.3122863724340335,1.3061042602303619,1.301059733953396,0.25,1.6765324726937203,1.8043560596862596,1.8574912909295496,1.8873332182457732,1.9065123383846663,1.9200178795541565,1.9299472818981247,1.937713627565967,1.9438957397696386,1.9489402660466044,third
+275,10.85,92,2.340170887566366e+17,1.57,0.45107561936021673,45.9,Unknown,None,0,0.7829878934293794,0.448125646216573,9.79,9.163609685256496,8.537219370512993,7.910829055769488,7.284438741025986,6.658048426282482,6.031658111538979,5.405267796795475,4.778877482051972,4.152487167308468,3.526096852564965,3.27,3.27,3.27,3.27,3.27,3.27,3.27,3.27,3.27,3.27,3.27,0.15,0.7763903147435035,1.402780629487007,2.029170944230511,2.6555612589740134,3.2819515737175173,3.908341888461021,4.534732203204524,5.161122517948027,5.787512832691531,6.413903147435034,zero
+273,11.78,93,4.097679763709448e+17,3.69,1.3056264580524357,111.6,Unknown,Enzyme,0,0.6571693731940038,0.42092903628409833,2.66,1.5719462488982003,0.9293568905232532,0.5493421384367203,0.32503931032360145,0.1922571530458203,0.11366400028819271,0.06727942603074163,0.039750729343441496,0.02354186162579692,0.013917654404523402,1.82,1.82,1.82,1.82,1.82,1.82,1.82,1.82,1.82,1.82,1.82,3.49,3.49,3.49,3.49,3.49,3.49,3.49,3.49,3.49,3.49,3.49,first
+276,3.18,99,2.5246755289627232e+17,3.23,1.172482137234565,179.9,Branched,Enzyme,0,0.046258399791274225,0.023539648291476593,3.28,3.1608364760839436,3.046002213890354,2.935339902245378,2.8286973709919834,2.72592909003379,2.6268948851436877,2.5314591923743626,2.439491058058298,2.350864138807772,2.2654567015148603,1.14,1.14,1.14,1.14,1.14,1.14,1.14,1.14,1.14,1.14,1.14,3.73,3.73,3.73,3.73,3.73,3.73,3.73,3.73,3.73,3.73,3.73,first
+270,13.44,90,4.377965445857393e+17,1.92,0.6523251860396901,45.3,Linear,Acid,0,1.6947155178039033,1.4073738547739,8.27,5.451159294370594,5.450000629542916,5.450000748818861,5.450000860512315,5.450000151944338,5.449999498344014,5.450000018244922,5.450001104687544,5.4499998897831965,5.450000467968364,2.82,0.001159294370594575,6.29542915313874e-07,7.488188610005725e-07,8.6051231378535e-07,1.5194433730789582e-07,-5.0165598735299e-07,1.8244921364427766e-08,1.1046875428831916e-06,-1.102168042797503e-07,4.6796836264610044e-07,2.95,5.7688407056294055,5.769999370457084,5.769999251181138,5.769999139487685,5.769999848055662,5.770000501655986,5.769999981755078,5.7699988953124555,5.770000110216803,5.769999532031636,second
+278,7.66,94,4.545692502853977e+17,1.83,0.6043159668533296,51.7,Unknown,Enzyme,0,0.9883019020902587,0.5237189493829238,1.48,0.6706341508469762,0.3046524250581105,0.1383651427096066,0.06285406913119607,0.02852775834537441,0.01293771129021614,0.0058706515308533345,0.0026661978003808757,0.0012115661879063676,0.0005498293657546382,2.68,2.68,2.68,2.68,2.68,2.68,2.68,2.68,2.68,2.68,2.68,1.77,1.77,1.77,1.77,1.77,1.77,1.77,1.77,1.77,1.77,1.77,first
+272,8.16,97,2.7872739860317808e+17,0.79,-0.23572233352106983,160.9,Ring,Acid,0,0.06557109943329885,0.03444935492635448,9.76,8.347957607816774,7.551486983807176,7.059918987357882,6.738251951655094,6.522233829374707,6.372578165872657,6.267473493466245,6.193253962223204,6.139846969797322,6.101461199592521,3.76,2.3479576078167748,1.5514869838071763,1.0599189873578823,0.7382519516550952,0.522233829374707,0.3725781658726569,0.26747349346624516,0.193253962223204,0.13984696979732192,0.10146119959252112,2.61,4.022042392183225,4.818513016192823,5.310081012642117,5.631748048344905,5.847766170625293,5.997421834127342,6.102526506533755,6.1767460377767955,6.230153030202677,6.2685388004074785,second
+278,3.22,100,4.376906711000403e+16,3.28,1.1878434223960523,94.5,Linear,None,0,0.007096591700022072,0.003888853925620173,2.5,2.4858470297530433,2.4717741821324797,2.457781003553263,2.4438670429895635,2.4300318519600235,2.416274984544159,2.4025959973589277,2.3889944495070567,2.375469902576596,2.3620219206409176,3.87,3.87,3.87,3.87,3.87,3.87,3.87,3.87,3.87,3.87,3.87,2.78,2.78,2.78,2.78,2.78,2.78,2.78,2.78,2.78,2.78,2.78,first
+271,13.64,95,1.0962201990757045e+17,1.47,0.3852624007906449,106.7,Unknown,Acid,1,0.053481095420465495,0.03439928334660747,3.1,2.402767408677531,2.10253507130121,1.9441791062586151,1.8539666674907438,1.7988771763362041,1.7648203637981166,1.7437528271820204,1.7296828604295618,1.7208922398702928,1.7153633259460586,1.66,1.3113837043387653,1.1612675356506048,1.0820895531293073,1.0369833337453718,1.0094385881681018,0.9924101818990582,0.9818764135910101,0.9748414302147808,0.9704461199351463,0.9676816629730292,3.65,3.9986162956612343,4.148732464349395,4.227910446870692,4.273016666254628,4.300561411831898,4.317589818100942,4.32812358640899,4.33515856978522,4.339553880064854,4.342318337026971,third
+273,3.2,93,4.4373167064395744e+17,4.11,1.4134230285081433,151.6,Linear,Enzyme,1,0.7116389778576521,0.3784407334461303,8.13,5.268322007233472,4.071784032694391,3.5708127821569478,3.361317893792813,3.274820338122424,3.2375218045832423,3.2226168119937024,3.2157449988295443,3.2138014245326967,3.2123488390308124,1.69,1.69,1.69,1.69,1.69,1.69,1.69,1.69,1.69,1.69,1.69,1.12,3.9816779927665293,5.1782159673056105,5.6791872178430545,5.888682106207189,5.975179661877578,6.01247819541676,6.027383188006299,6.034255001170457,6.0361985754673055,6.037651160969189,first
+272,2.02,95,2.2030801826068984e+16,4.0,1.3862943611198906,163.0,Ring,Acid,0,0.012550332014836522,0.006882990141102886,5.34,3.249586007214276,2.540868568022256,2.1588018200901447,1.907471574269063,1.7292389606360634,1.5913901573671259,1.4824770845423416,1.3941625531787838,1.3196652621136022,1.2554516828883429,1.76,1.76,1.76,1.76,1.76,1.76,1.76,1.76,1.76,1.76,1.76,2.78,3.476804664261908,3.7130438106592485,3.8403993933032856,3.9241761419103125,3.9835870131213125,4.029536614210959,4.065840971819219,4.0952791489404055,4.120111579295466,4.141516105703886,third
+273,6.59,95,9.078627506669162e+16,3.48,1.247032293786383,188.8,Unknown,None,1,0.060321804040498944,0.05128376247046906,8.21,7.886711651462993,7.591036805315678,7.320514514517076,7.073030908845645,6.846732479128994,6.639865619105526,6.450776625424439,6.277911697645725,6.119816938240168,5.975138352589351,4.63,4.63,4.63,4.63,4.63,4.63,4.63,4.63,4.63,4.63,4.63,1.42,1.743288348537008,2.038963194684323,2.309485485482925,2.556969091154356,2.783267520871007,2.9901343808944754,3.179223374575562,3.352088302354276,3.5101830617598324,3.654861647410651,first
+271,13.56,93,3.394406357898384e+17,3.18,1.1568811967920856,122.5,Branched,None,0,0.40232382102606395,0.27810566821475213,5.51,3.9935292260621997,2.8945236950114026,2.095752425035741,1.51981736645699,1.1035878382742652,0.7992204531103593,0.5794433085976458,0.4206286674397859,0.30484510781527807,0.22098363065085558,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,3.87,3.87,3.87,3.87,3.87,3.87,3.87,3.87,3.87,3.87,3.87,first
+278,12.23,96,3.688529625846423e+17,1.68,0.5187937934151675,175.0,Ring,Base,0,0.33755185861461967,0.2695121638843826,9.54,6.162101724420611,5.715107793004718,5.6250435500018625,5.605505202032802,5.601215109726552,5.600268030398573,5.600059523546508,5.600013304344175,5.600003125365426,5.600000705357506,3.94,0.5621017244206119,0.11510779300471785,0.025043550001863268,0.005505202032802417,0.0012151097265528654,0.00026803039857378617,5.9523546508514894e-05,1.3304344175210835e-05,3.125365425297655e-06,7.053575065069614e-07,1.36,4.737898275579388,5.184892206995283,5.274956449998138,5.294494797967198,5.298784890273448,5.299731969601427,5.299940476453492,5.299986695655825,5.299996874634575,5.299999294642494,second
+279,7.45,91,2.2040930940583725e+17,4.18,1.430311246536665,152.0,Unknown,Enzyme,0,2.0207370211224265,1.707026585239405,3.96,2.343410383102058,0.7268207662041167,-0.8897688506938248,-2.506358467591766,-4.122948084489709,-5.7395377013876505,-7.356127318285596,-8.972716935183538,-10.589306552081483,-12.20589616897943,0.38,0.38,0.38,0.38,0.38,0.38,0.38,0.38,0.38,0.38,0.38,4.83,6.446589616897942,8.063179233795884,9.679768850693826,11.296358467591766,12.91294808448971,14.529537701387651,16.146127318285597,17.762716935183537,19.379306552081484,20.99589616897943,zero
+279,2.0,95,2.4212726848560682e+17,2.27,0.8197798314933114,80.5,Ring,None,0,0.39574258995080586,0.34878516404540294,6.66,1.2796670561765673,0.7085362363324583,0.4898358285854086,0.37398369049436847,0.30264409590984986,0.25406564186502745,0.21914681745710687,0.19240820680466506,0.17156986801417362,0.15481912678133486,3.85,3.85,3.85,3.85,3.85,3.85,3.85,3.85,3.85,3.85,3.85,2.69,5.380166471911717,5.6657318818337705,5.775082085707296,5.833008154752816,5.868677952045076,5.892967179067487,5.910426591271447,5.923795896597668,5.934215065992914,5.942590436609334,second
+273,6.49,92,6.688151110852328e+16,4.89,1.5871923034867805,45.6,Linear,None,0,0.16664334149330465,0.1386215905029392,8.13,7.1152904299224495,6.227178918150596,5.448803474790596,4.767332908574109,4.1717352332990485,3.6516344758949293,3.1973106764228683,2.79969988807558,2.4506028563036106,2.144742450446837,1.39,1.39,1.39,1.39,1.39,1.39,1.39,1.39,1.39,1.39,1.39,3.22,4.234709570077552,5.1228210818494055,5.901196525209405,6.5826670914258925,7.178264766700953,7.698365524105072,8.152689323577134,8.550300111924422,8.89939714369639,9.205257549553165,first
+271,4.09,99,2.490214497449748e+17,1.15,0.13976194237515863,34.5,Ring,Base,1,0.020583556160625942,0.011132385408635868,7.22,2.9779425878226573,2.268731029328913,1.9557722385656526,1.7805353868413898,1.6742413357095385,1.6032522669851015,1.5558753864380184,1.5235372022843956,1.5000813734688447,1.4834494630438966,3.61,3.61,3.61,3.61,3.61,3.61,3.61,3.61,3.61,3.61,3.61,3.6,5.014019137392448,5.250422990223696,5.354742587144783,5.41315487105287,5.448586221430155,5.4722492443383,5.488041537853994,5.498820932571869,5.506639542177052,5.5121835123187015,third
+275,12.07,94,2.521613086096858e+16,0.68,-0.3856624808119846,81.4,Unknown,Acid,0,0.03517903425865711,0.02472607816672308,3.88,2.2006449763434803,1.600247823515936,1.2787678318003388,1.071484730153551,0.9275321261634739,0.8188967687422279,0.734805715424251,0.6678845149786002,0.6124015480778409,0.5657145885145057,4.04,3.20032248817174,2.900123911757968,2.7393839159001696,2.6357423650767755,2.563766063081737,2.509448384371114,2.4674028577121256,2.4339422574893,2.4062007740389206,2.3828572942572532,3.57,4.40967751182826,4.709876088242032,4.87061608409983,4.974257634923224,5.046233936918262,5.100551615628885,5.142597142287873,5.176057742510699,5.203799225961078,5.227142705742747,third
+274,8.73,90,4.526503466107121e+16,1.56,0.44468582126144574,171.1,Ring,Enzyme,0,0.3146151829514184,0.16453105398924078,1.62,0.39698480206702047,0.2316635667270165,0.16430120919246866,0.12760805656114013,0.10424853755863824,0.0882914690098774,0.0764605602139506,0.0675067199872466,0.060471686617767834,0.05471267077138538,4.24,3.62849240103351,3.5458317833635085,3.512150604596234,3.4938040282805702,3.482124268779319,3.4741457345049387,3.468230280106975,3.4637533599936234,3.460235843308884,3.457356335385693,2.02,2.63150759896649,2.7141682166364913,2.7478493954037657,2.7661959717194295,2.7778757312206808,2.785854265495061,2.7917697198930247,2.7962466400063763,2.799764156691116,2.802643664614307,third
+273,8.96,97,4.35829524407876e+17,4.31,1.4609379041156563,122.3,Ring,Base,0,0.11997357354088345,0.061423296363265774,7.59,6.895386644362013,6.264343971589989,5.690943379118757,5.169758289043019,4.696310274900841,4.2664103061315375,3.8761165841483094,3.521734542338248,3.199816846062334,2.907163392655437,0.79,0.79,0.79,0.79,0.79,0.79,0.79,0.79,0.79,0.79,0.79,1.7,1.7,1.7,1.7,1.7,1.7,1.7,1.7,1.7,1.7,1.7,first
+280,7.08,95,4.6304201371818355e+17,4.6,1.5260563034950492,66.9,Unknown,Enzyme,0,0.8760182805544104,0.6781996126035046,6.75,3.3491271419239044,1.6611471614845918,0.8247675418856641,0.4099109542345634,0.2033597786095849,0.1009189403677205,0.05015800709132261,0.02491538628686056,0.012356245579691501,0.0061421170012054185,2.28,2.28,2.28,2.28,2.28,2.28,2.28,2.28,2.28,2.28,2.28,2.41,5.810872858076095,7.4988528385154085,8.335232458114337,8.750089045765439,8.956640221390417,9.059081059632282,9.10984199290868,9.135084613713142,9.14764375442031,9.153857882998796,first
+280,11.75,97,1.5178982492451232e+17,4.97,1.6034198401085373,110.8,Ring,None,0,0.12162346832895783,0.09743221132106054,6.0,5.443707562779278,4.938850441429762,4.480759012336053,4.065252211317483,3.688421605049722,3.346631391064778,3.0365183977509966,2.755020553076241,2.4995882493879247,2.26783942399783,2.62,2.62,2.62,2.62,2.62,2.62,2.62,2.62,2.62,2.62,2.62,0.05,0.6062924372207221,1.1111495585702382,1.5692409876639473,1.9847477886825176,2.361578394950278,2.703368608935222,3.013481602249003,3.294979446923759,3.550411750612075,3.7821605760021697,first
+273,2.81,92,8.005837999075376e+16,3.99,1.3837912309017721,154.0,Ring,Acid,0,0.19947509760286716,0.12138700184483696,6.64,5.723756709852238,5.720020665094951,5.719999825179528,5.7200018520896645,5.719998820490924,5.720002266187736,5.71999915016137,5.719999915356566,5.720001269327701,5.720001020472594,0.46,0.0018783549261192178,1.0332547476092981e-05,-8.741023565281376e-08,9.260448329619827e-07,-5.897545377530026e-07,1.1330938682849622e-06,-4.2491931488655076e-07,-4.2321716413612225e-08,6.346638512522688e-07,5.102362974400023e-07,4.71,5.168121645073881,5.169989667452524,5.170000087410235,5.169999073955166,5.170000589754538,5.1699988669061305,5.170000424919314,5.170000042321716,5.169999365336148,5.169999489763701,third
+275,9.68,93,4.809485088917752e+17,4.09,1.4085449700547104,72.1,Linear,None,1,1.0390945133379865,0.6239713329279271,5.56,2.3622362768515393,2.3618194611723746,2.3623572226890275,2.361281049304909,2.3626107627186834,2.3612844753567543,2.3625200251979983,2.361503380558142,2.36213286439857,2.362259333771177,1.98,0.38111813842576997,0.3809097305861877,0.38117861134451414,0.3806405246524548,0.381305381359342,0.38064223767837757,0.3812600125989995,0.38075169027907113,0.38106643219928504,0.3811296668855884,1.94,3.5388818615742297,3.539090269413812,3.538821388655486,3.5393594753475455,3.538694618640658,3.539357762321622,3.538739987401,3.5392483097209286,3.538933567800715,3.538870333114412,third
+277,12.42,91,1.7002480996605424e+17,1.0,0.0,195.3,Branched,Base,0,1.1742920819230422,0.8014722303936384,9.54,0.42174500730525355,0.2983541540600889,0.2437189685294229,0.21090834416088938,0.1888077859910424,0.17225771609518353,0.1594597594886603,0.14925408993383257,0.1407277240226155,0.1334749704253505,4.13,4.13,4.13,4.13,4.13,4.13,4.13,4.13,4.13,4.13,4.13,2.94,5.979418330898248,6.020548615313303,6.038760343823525,6.049697218613037,6.0570640713363195,6.062580761301605,6.066846746837113,6.0702486366887225,6.073090758659128,6.07550834319155,third
+276,5.56,98,2.7835666436801914e+17,1.04,0.03922071315328133,143.3,Ring,None,1,0.07885866773149831,0.0661305985765503,7.02,6.8416155602605,6.6827688634582705,6.541306431474519,6.415204107171746,6.30288921774637,6.202962507896467,6.114106871700341,6.035087352616507,5.964751143483709,5.902027586520905,4.41,4.41,4.41,4.41,4.41,4.41,4.41,4.41,4.41,4.41,4.41,4.8,4.978384439739499,5.137231136541729,5.2786935685254806,5.404795892828253,5.51711078225363,5.617037492103532,5.705893128299659,5.784912647383492,5.85524885651629,5.917972413479094,first
+273,12.33,100,1.4327000877464837e+17,4.34,1.4678743481123135,181.4,Unknown,Enzyme,0,0.010517111315776354,0.006980359432513659,4.28,4.244140477815422,4.2085814008046825,4.173320251749705,4.138354534435974,4.103681773378255,4.069299514386694,4.035205323729024,4.001396787781637,3.967871513029587,3.93462712606659,1.1,1.1,1.1,1.1,1.1,1.1,1.1,1.1,1.1,1.1,1.1,3.46,3.46,3.46,3.46,3.46,3.46,3.46,3.46,3.46,3.46,3.46,first
+271,4.89,98,2.903969724514161e+16,3.13,1.1410330045520618,120.1,Ring,None,0,0.0037413681639159105,0.0021031033139605458,2.79,2.613300929529669,2.466447421898816,2.341591288263561,2.2332164601081823,2.138905380398155,2.05656317221723,1.9841460605590462,1.91966137232713,1.8611675363348956,1.8067740833056454,4.31,4.31,4.31,4.31,4.31,4.31,4.31,4.31,4.31,4.31,4.31,2.09,2.1488996901567767,2.197850859367061,2.239469570578813,2.2755945132972726,2.3070315398672814,2.3344789425942563,2.358617979813651,2.380112875890956,2.3996108212217013,2.4177419722314513,third
+276,13.51,93,2.479541111461723e+17,2.49,0.9122827104766164,161.9,Branched,Acid,0,0.6207732762246342,0.37113112386339225,6.36,3.8697750805169986,2.3552975026308722,1.4328657782804668,0.8733443640198609,0.5313714113765137,0.3237724510015436,0.1970242691479089,0.12003266189612624,0.07305473491421727,0.0445212839792849,1.39,1.39,1.39,1.39,1.39,1.39,1.39,1.39,1.39,1.39,1.39,1.59,1.59,1.59,1.59,1.59,1.59,1.59,1.59,1.59,1.59,1.59,first
+274,6.46,92,4.2960735849770694e+17,2.67,0.9820784724121582,69.3,Ring,Base,1,1.241080684334699,1.0670757068992398,5.51,3.9142254778256067,3.6631945826739587,3.6231737382494345,3.617018624061107,3.6152793073365426,3.614689264497296,3.6153283763235384,3.6150051552797207,3.6155977952039,3.616402795213498,4.12,4.12,4.12,4.12,4.12,4.12,4.12,4.12,4.12,4.12,4.12,2.31,3.9057745221743945,4.156805417326042,4.196826261750568,4.2029813759388945,4.204720692663459,4.205310735502707,4.204671623676464,4.204994844720282,4.204402204796103,4.2035972047865044,first
+274,4.13,93,3.356350910611216e+17,1.4,0.3364722366212129,124.6,Ring,None,1,0.6251027477850299,0.39723386716667525,7.62,2.002150995624377,1.9669706376710776,1.9672085816960276,1.969998493290066,1.9673252527811058,1.9660585618371573,1.9668520931603364,1.968622951076984,1.9657897145019803,1.9669335641179204,3.87,3.87,3.87,3.87,3.87,3.87,3.87,3.87,3.87,3.87,3.87,3.26,6.06892450218781,6.08651468116446,6.086395709151985,6.085000753354965,6.086337373609446,6.08697071908142,6.086573953419831,6.085688524461507,6.08710514274901,6.08653321794104,second
+273,7.62,97,1.1094416282600734e+17,3.91,1.3635373739972745,56.6,Linear,None,1,0.030540307464991936,0.01603508851197043,5.54,5.4486896740488255,5.360719003641024,5.275965831452362,5.19431203400515,5.1156445754640325,5.039854700308738,4.966837249581557,4.896490660887339,4.828716968393494,4.763421802829996,0.02,0.02,0.02,0.02,0.02,0.02,0.02,0.02,0.02,0.02,0.02,3.3,3.3913103259511743,3.479280996358976,3.5640341685476375,3.64568796599485,3.7243554245359674,3.8001452996912617,3.8731627504184427,3.943509339112661,4.011283031606506,4.0765781971700035,first
+272,9.96,90,4.339602660519131e+17,2.21,0.7929925155296614,132.4,Ring,Base,0,2.2558236517634587,1.500787629687505,1.56,0.25686863359627715,0.04233815333787612,0.00698204263376204,0.0011519563484784622,0.00019003276833136942,3.1249414834765414e-05,5.046332357078967e-06,7.578130904159605e-07,2.6672120674085454e-07,7.489364333079833e-08,0.07,0.07,0.07,0.07,0.07,0.07,0.07,0.07,0.07,0.07,0.07,2.4,2.4,2.4,2.4,2.4,2.4,2.4,2.4,2.4,2.4,2.4,first
+271,8.8,99,1.5492095894269165e+17,3.81,1.3376291891386096,198.3,Branched,Acid,0,0.012805420023538632,0.009789440144911942,6.14,5.453898828518034,4.905170388816466,4.4571377709509905,4.0854728860422895,3.7709536544135664,3.500312891809736,3.2659757531225235,3.061403950835068,2.8811210093697106,2.7207190801053995,4.58,4.58,4.58,4.58,4.58,4.58,4.58,4.58,4.58,4.58,4.58,0.16,0.5030505857409826,0.7774148055917665,1.0014311145245043,1.1872635569788548,1.3445231727932163,1.4798435540951316,1.5970121234387378,1.6992980245824656,1.7894394953151442,1.8696404599472998,second
+273,13.79,100,1.7401491348341453e+17,3.08,1.1249295969854831,83.8,Unknown,None,0,0.012774021802350197,0.008287533113975107,9.18,9.086665299865286,8.994279550331688,8.902833103368746,8.812316408482761,8.722720011369521,8.634034557382954,8.546250785828322,8.459359528617805,8.37335171027049,8.288218347912391,1.29,1.29,1.29,1.29,1.29,1.29,1.29,1.29,1.29,1.29,1.29,2.9,2.9,2.9,2.9,2.9,2.9,2.9,2.9,2.9,2.9,2.9,first
+274,3.35,100,4.211202834377699e+17,3.56,1.269760544863939,118.0,Ring,None,1,0.03630616728767131,0.021677478768300156,2.53,1.8291625749667026,1.5531184528277235,1.4106127402859632,1.329231299930736,1.2777051223097535,1.2456025701738143,1.2240145836757697,1.2094689115381607,1.200213175709426,1.1939372566110928,3.48,3.48,3.48,3.48,3.48,3.48,3.48,3.48,3.48,3.48,3.48,2.3,2.5336124750110987,2.6256271823907587,2.6731290865713455,2.7002562333564213,2.7174316258967486,2.7281324766087285,2.7353284721080766,2.74017702948728,2.7432622747635245,2.745354247796303,third
+278,12.39,94,1.4780207159027174e+17,4.09,1.4085449700547104,152.2,Unknown,Acid,0,0.32134392811180107,0.2504212967708305,9.41,9.152924857510559,8.895849715021118,8.638774572531677,8.381699430042236,8.124624287552795,7.867549145063355,7.6104740025739135,7.353398860084473,7.096323717595032,6.839248575105591,3.96,3.96,3.96,3.96,3.96,3.96,3.96,3.96,3.96,3.96,3.96,1.06,1.317075142489441,1.5741502849788818,1.8312254274683226,2.0883005699577635,2.3453757124472046,2.602450854936645,2.8595259974260863,3.116601139915527,3.3736762824049675,3.6307514248944086,zero
+273,4.91,95,3.83221769921198e+17,2.47,0.9042181506398859,119.5,Branched,None,0,0.25462690800187804,0.156781836135264,4.88,0.8914864719467703,0.6357637076587475,0.5202804738647371,0.4514731062874141,0.40388392233468423,0.36916825625799354,0.34184121026218445,0.31975981891026306,0.3015468135453377,0.2861165172598149,1.24,1.24,1.24,1.24,1.24,1.24,1.24,1.24,1.24,1.24,1.24,2.82,4.149504509351076,4.234745430780417,4.273239842045087,4.296175631237528,4.312038692555104,4.323610581247335,4.33271959657927,4.340080060363245,4.346151062151553,4.351294494246727,third
+274,12.57,100,6.455329759733273e+16,4.36,1.472472057360943,124.0,Linear,Enzyme,1,0.0055653524983579295,0.0029465691561537583,8.67,8.60281118038689,8.538866783079028,8.477975336010218,8.419958126157203,8.364652569193327,8.311907293096855,8.261579958222566,8.213537257301741,8.167654915442181,8.123817690128186,2.05,1.9828111803868895,1.918866783079028,1.8579753360102182,1.799958126157203,1.7446525691933266,1.691907293096855,1.6415799582225652,1.5935372573017421,1.547654915442181,1.5038176901281863,4.35,4.41718881961311,4.481133216920972,4.542024663989781,4.6000418738427955,4.655347430806673,4.708092706903144,4.758420041777434,4.8064627426982565,4.852345084557818,4.896182309871813,second
+271,11.49,93,4.4521360478219584e+17,2.23,0.8020015854720274,45.5,Unknown,Acid,1,0.5276917957449899,0.4278044086109087,3.49,0.9443698371520726,0.9372459702157063,0.9367570627221833,0.9380781725015648,0.9368373149127308,0.9387835873237491,0.9368303408033188,0.938000990727206,0.9364878454650996,0.9377799051919128,3.94,2.6671849185760363,2.663622985107853,2.6633785313610914,2.664039086250782,2.663418657456365,2.664391793661874,2.663415170401659,2.6640004953636027,2.66324392273255,2.663889952595956,1.61,2.8828150814239635,2.886377014892147,2.8866214686389084,2.885960913749218,2.886581342543635,2.8856082063381256,2.8865848295983407,2.885999504636397,2.88675607726745,2.8861100474040438,third
+271,1.01,94,7.749038007539134e+16,4.14,1.4206957878372228,98.7,Linear,Base,0,0.05892573326218943,0.0399430090084519,1.63,1.5549438301174798,1.4833437650772798,1.415040389895646,1.3498808702540412,1.2877218431749566,1.2284260482925882,1.1718617514821488,1.1179027448598684,1.066428346782994,1.0173234018497896,2.52,2.52,2.52,2.52,2.52,2.52,2.52,2.52,2.52,2.52,2.52,1.88,1.95505616988252,2.02665623492272,2.094959610104354,2.1601191297459588,2.2222781568250434,2.281573951707412,2.3381382485178515,2.392097255140132,2.443571653217006,2.4926765981502106,first
+276,13.41,100,2.213672327612014e+17,4.24,1.4445632692438664,156.5,Linear,Enzyme,0,0.02623225306499464,0.015640917301674724,7.95,7.377327340292711,6.919539821747773,6.546530672053001,6.239178695873091,5.9820075210590105,5.762972965253838,5.57527738484069,5.413651102273596,5.273474952001545,5.15098400921711,3.86,3.2873273402927103,2.829539821747773,2.456530672053001,2.1491786958730907,1.8920075210590102,1.6729729652538374,1.4852773848406888,1.3236511022735953,1.1834749520015442,1.0609840092171088,0.6,1.1726726597072892,1.6304601782522266,2.0034693279469984,2.3108213041269092,2.5679924789409894,2.787027034746162,2.974722615159311,3.1363488977264042,3.2765250479984553,3.3990159907828907,second
+276,5.34,99,2.905966466430284e+17,1.7,0.5306282510621704,37.1,Branched,Base,1,0.05324460788804728,0.03142613767783588,5.39,5.2389927223211235,5.097875553213756,4.965998401704991,4.842746330467533,4.727566752765577,4.619939680393347,4.519372263278601,4.425398789482634,4.337580685200274,4.255506514759884,1.56,1.56,1.56,1.56,1.56,1.56,1.56,1.56,1.56,1.56,1.56,2.92,3.0710072776788753,3.2121244467862433,3.3440015982950073,3.467253669532465,3.5824332472344214,3.690060319606652,3.7906277367213974,3.8846012105173644,3.9724193147997244,4.054493485240115,first
+273,5.29,92,2.974535042444257e+17,3.68,1.3029127521808397,37.3,Unknown,Acid,0,0.7411412371612373,0.4649659591947163,8.82,4.872631002271731,2.694385954312909,1.4905092726147995,0.8235969323125785,0.456118542265555,0.251949889454143,0.13940275998560378,0.0771415342895717,0.042612595735275066,0.02360092521969093,0.85,0.85,0.85,0.85,0.85,0.85,0.85,0.85,0.85,0.85,0.85,4.06,4.06,4.06,4.06,4.06,4.06,4.06,4.06,4.06,4.06,4.06,first
+272,10.86,99,4.694006311554782e+17,4.13,1.4182774069729414,109.1,Linear,Base,0,0.045602049970822484,0.03170524647094113,2.56,2.5235183600233424,2.4870367200466843,2.450555080070026,2.414073440093368,2.37759180011671,2.341110160140052,2.3046285201633943,2.268146880186736,2.231665240210078,2.1951836002334204,1.8,1.8,1.8,1.8,1.8,1.8,1.8,1.8,1.8,1.8,1.8,1.36,1.3964816399766582,1.432963279953316,1.469444919929974,1.505926559906632,1.54240819988329,1.578889839859948,1.6153714798366061,1.651853119813264,1.6883347597899219,1.72481639976658,zero
+273,6.72,91,2.6917673903113485e+17,0.9,-0.10536051565782628,60.7,Branched,None,0,1.0419862886299611,0.6754334638004841,3.01,1.3069412414556698,0.5686098749094848,0.24730203949785184,0.10760139750154185,0.04681930690684599,0.020364234177693015,0.008850387634290628,0.003846056328821494,0.0016720537625608694,0.0007282342481194302,0.65,0.65,0.65,0.65,0.65,0.65,0.65,0.65,0.65,0.65,0.65,1.9,1.9,1.9,1.9,1.9,1.9,1.9,1.9,1.9,1.9,1.9,first
+274,10.11,97,1.2653014322108939e+17,4.28,1.4539530095937054,159.8,Unknown,Enzyme,0,0.04070999197809938,0.022031078084201895,4.17,4.13743200641752,4.104864012835041,4.072296019252561,4.039728025670082,4.007160032087603,3.974592038505123,3.9420240449226434,3.9094560513401637,3.8768880577576845,3.844320064175205,0.57,0.57,0.57,0.57,0.57,0.57,0.57,0.57,0.57,0.57,0.57,4.93,4.962567993582479,4.995135987164959,5.027703980747439,5.060271974329917,5.092839967912397,5.125407961494877,5.157975955077356,5.190543948659836,5.223111942242316,5.255679935824795,zero
+278,9.91,96,3.7017999773040525e+17,3.17,1.1537315878891892,102.2,Unknown,Enzyme,0,0.338766280688826,0.2844196615953802,5.12,3.9045246291913385,2.977325093611385,2.269029471638408,1.7309496206953823,1.3216190098376548,1.0074017929638994,0.7679715680899538,0.5862972180201446,0.44741065500120186,0.3411995306289122,3.52,3.52,3.52,3.52,3.52,3.52,3.52,3.52,3.52,3.52,3.52,2.82,4.035475370808662,4.9626749063886155,5.670970528361593,6.209050379304618,6.618380990162346,6.932598207036101,7.1720284319100465,7.353702781979856,7.492589344998799,7.598800469371088,first
+279,1.34,96,1.585250271241852e+17,3.88,1.355835153635182,137.5,Ring,Acid,1,0.1683601218619365,0.11551452382770706,3.1,1.2123080253066352,1.0609249140243213,1.026974599162875,1.018523611586868,1.0159671723290509,1.0154355848388907,1.015236099366842,1.015332636813724,1.0151455212277316,1.0153499617762847,0.76,0.76,0.76,0.76,0.76,0.76,0.76,0.76,0.76,0.76,0.76,0.83,1.4592306582311214,1.5096916953252262,1.5210084669457082,1.523825462804377,1.5246776092236496,1.524854805053703,1.5249213002110527,1.5248891210620918,1.5249514929240893,1.5248833460745717,third
+274,5.07,92,1.6915526304934947e+17,1.87,0.6259384308664954,170.7,Unknown,Base,1,0.48866790913038616,0.4136784224739477,7.88,6.614465653856404,6.004237485778159,5.706253693509611,5.559901628014612,5.4910756200621655,5.455463292792841,5.43971454933537,5.431568841614468,5.427281541799982,5.425647961198166,4.04,4.04,4.04,4.04,4.04,4.04,4.04,4.04,4.04,4.04,4.04,3.95,5.215534346143596,5.825762514221841,6.123746306490389,6.270098371985388,6.3389243799378345,6.3745367072071595,6.3902854506646305,6.398431158385532,6.4027184582000185,6.404352038801834,first
+279,4.38,97,1.4039831545983179e+17,4.53,1.5107219394949427,33.4,Branched,None,1,0.09688925097202589,0.06880552355426157,6.39,3.882214454198133,3.5797563882415604,3.5031400108733974,3.481075035190901,3.474475709345438,3.4725935924716738,3.472010926007747,3.47179105897032,3.471744474488993,3.471803256393811,1.66,0.40610722709906677,0.2548781941207801,0.21657000543669883,0.2055375175954506,0.202237854672719,0.20129679623583674,0.20100546300387337,0.2008955294851598,0.20087223724449632,0.2009016281969053,1.95,3.203892772900933,3.35512180587922,3.393429994563301,3.4044624824045493,3.4077621453272813,3.4087032037641634,3.408994536996127,3.4091044705148406,3.409127762755504,3.409098371803095,third
+280,13.52,92,4.136072829110825e+17,1.73,0.5481214085096876,118.0,Ring,Acid,0,2.8389517968015396,2.222979130252738,9.36,7.088838562558767,4.817677125117536,2.5465156876763038,0.27535425023507276,-1.9958071872061591,-4.2669686246473955,-6.53813006208863,-8.809291499529861,-11.080452936971103,-13.351614374412339,3.56,3.56,3.56,3.56,3.56,3.56,3.56,3.56,3.56,3.56,3.56,4.67,6.941161437441232,9.212322874882462,11.483484312323693,13.754645749764926,16.025807187206155,18.29696862464739,20.568130062088628,22.839291499529857,25.1104529369711,27.381614374412337,zero
+276,11.53,94,2.1653769480549523e+17,4.17,1.4279160358107101,83.5,Ring,Acid,0,0.3506165652153297,0.2327102220824573,3.9,0.7578340827266923,0.5408305160294675,0.44299125452547977,0.38453296675461085,0.3440239437734786,0.31431013603053404,0.2912819793484688,0.2724699337290594,0.2569038578316049,0.24373143571916414,2.54,2.54,2.54,2.54,2.54,2.54,2.54,2.54,2.54,2.54,2.54,1.45,2.497388639091102,2.5697231613235103,2.6023362484915067,2.6218223444151296,2.635325352075507,2.6452299546564886,2.6529060068838435,2.6591766887569803,2.6643653807227983,2.668756188093612,third
+270,9.81,96,3.7960795130661216e+17,1.12,0.11332868530700327,21.5,Branched,Enzyme,0,0.10147243350641737,0.05997343015847754,8.07,7.44077838076384,6.860618376003664,6.325657181012105,5.8322941357518205,5.377411962777382,4.958088082276127,4.571566720669223,4.215258910611654,3.886742490992233,3.583762106933596,1.5,1.5,1.5,1.5,1.5,1.5,1.5,1.5,1.5,1.5,1.5,1.76,1.76,1.76,1.76,1.76,1.76,1.76,1.76,1.76,1.76,1.76,first
+276,2.42,94,2.1019626584983997e+17,0.68,-0.3856624808119846,165.5,Ring,Base,1,0.34034856064926067,0.17651056478460575,9.67,6.351607472221817,6.351699343343621,6.35147887723673,6.351703038395595,6.351531313140335,6.351783735702013,6.351516828100918,6.351750376440901,6.351446767717424,6.351670657986667,1.72,0.06080373611090842,0.060849671671810296,0.060739438618364484,0.0608515191977967,0.06076565657016681,0.06089186785100642,0.0607584140504591,0.06087518822045035,0.06072338385871167,0.0608353289933336,3.07,4.729196263889092,4.72915032832819,4.729260561381636,4.729148480802205,4.729234343429834,4.729108132148994,4.729241585949541,4.729124811779549,4.729276616141287,4.729164671006665,third
+277,10.25,97,4.735144420796822e+17,4.14,1.4206957878372228,174.8,Branched,None,1,0.24161280872107904,0.19785079053125337,1.39,1.841238224611803,1.9380286527376276,1.9563673862402564,1.9595315669102857,1.9606594807223936,1.9608422540557926,1.9611116973518292,1.959822311358888,1.9617052694068142,1.9590854978883354,3.0,3.0,3.0,3.0,3.0,3.0,3.0,3.0,3.0,3.0,3.0,4.98,4.754380887694099,4.7059856736311865,4.696816306879872,4.695234216544857,4.694670259638803,4.694578872972103,4.6944441513240855,4.695088844320556,4.694147365296592,4.6954572510558314,second
+275,7.37,92,4.994535951819208e+17,3.39,1.220829921392359,112.4,Linear,None,1,1.6711006894197666,1.1229939453627902,8.16,6.871380086553847,6.8715655075429565,6.871640024479844,6.871627317341559,6.8715075600870765,6.8715288680428115,6.871515438428523,6.871466817521769,6.871666084817803,6.871736330586773,0.72,0.0756900432769236,0.07578275377147908,0.07582001223992273,0.0758136586707803,0.07575378004353892,0.07576443402140581,0.07575771921426064,0.07573340876088329,0.07583304240889988,0.07586816529338511,4.68,5.324309956723076,5.324217246228521,5.324179987760076,5.324186341329218,5.324246219956459,5.324235565978592,5.324242280785739,5.324266591239117,5.324166957591101,5.324131834706615,third
+276,7.99,95,4.085488751940111e+17,4.98,1.6054298910365616,171.3,Ring,None,0,0.4278387961032306,0.3315542342011845,5.44,3.4170396942161156,3.4003247546355504,3.4000064271242123,3.3999997863435687,3.3999989410713582,3.3999998495754316,3.400001504885263,3.4000021973383254,3.400000908387878,3.400000875349778,1.02,0.00851984710805754,0.00016237731777481323,3.2135621058036938e-06,-1.06828215719444e-07,-5.294643211663313e-07,-7.521228457419159e-08,7.524426312510539e-07,1.0986691622811867e-06,4.541939386180762e-07,4.3767488838758155e-07,0.5,1.5114801528919428,1.5198376226822254,1.5199967864378945,1.5200001068282163,1.5200005294643215,1.5200000752122849,1.5199992475573691,1.519998901330838,1.5199995458060616,1.5199995623251117,third
+275,3.23,97,2.2086516613514502e+17,3.13,1.1410330045520618,160.6,Unknown,Acid,0,0.08296208773311467,0.04414240777220073,7.99,7.476920977809509,6.996789633731153,6.547465973231351,6.1269588533468236,5.7334674753939705,5.365281446787065,5.020778095226742,4.698422468700002,4.3967673354802095,4.114453184127093,3.81,3.81,3.81,3.81,3.81,3.81,3.81,3.81,3.81,3.81,3.81,4.93,5.443079022190491,5.923210366268847,6.3725340267686486,6.793041146653176,7.186532524606029,7.554718553212935,7.899221904773258,8.221577531299998,8.52323266451979,8.805546815872907,first
+274,11.1,99,3.881455846329927e+17,1.65,0.5007752879124892,176.0,Branched,Acid,0,0.05190547291154142,0.0455329394267624,2.05,1.7048324303032476,1.4358835740820384,1.220834714555585,1.0468884007113424,0.9048156363694065,0.786554628264234,0.6858312813295885,0.6001872558638397,0.5270128323895971,0.4640575078401636,4.62,4.274832430303247,4.005883574082039,3.790834714555585,3.6168884007113427,3.474815636369407,3.3565546282642345,3.2558312813295887,3.17018725586384,3.0970128323895976,3.034057507840164,3.49,3.8351675696967527,4.104116425917962,4.319165285444416,4.493111599288658,4.635184363630594,4.753445371735766,4.854168718670412,4.939812744136161,5.012987167610403,5.075942492159836,second
+280,7.67,99,1.7216531530594938e+17,4.04,1.3962446919730587,88.6,Unknown,Base,1,0.05842548675897732,0.03716328809125495,6.34,5.30974828379047,4.656562469995189,4.215076213671917,3.9048542836452604,3.677450375580168,3.509726406615497,3.383353741391211,3.285994099545569,3.211124293713816,3.153065562364293,4.7,3.6697482837904705,3.0165624699951885,2.575076213671917,2.2648542836452603,2.037450375580168,1.8697264066154968,1.743353741391211,1.645994099545569,1.5711242937138155,1.5130655623642932,2.59,3.6202517162095296,4.273437530004811,4.714923786328082,5.025145716354738,5.252549624419831,5.420273593384502,5.546646258608789,5.64400590045443,5.718875706286184,5.776934437635706,second
+270,3.68,93,1.5711399202787507e+17,3.9,1.3609765531356006,73.2,Ring,None,1,0.1598208696106798,0.11931080138336286,5.05,4.564572862170292,4.176199833446414,3.864884248186759,3.6164358050043384,3.4186036073004757,3.2602646590760918,3.1328390080864117,3.0309944082003404,2.94980101107399,2.8848592867814205,2.52,2.52,2.52,2.52,2.52,2.52,2.52,2.52,2.52,2.52,2.52,1.09,1.5754271378297076,1.963800166553586,2.2751157518132405,2.5235641949956613,2.721396392699524,2.879735340923908,3.007160991913588,3.1090055917996593,3.1901989889260096,3.2551407132185792,first
+279,8.26,100,4.687720034688129e+17,3.52,1.2584609896100056,26.4,Linear,Enzyme,1,0.08875488925132897,0.060431930755187206,9.24,9.271977855830752,9.287691212572588,9.295366968481103,9.299145594306824,9.300984380551938,9.301889684037553,9.302316883894056,9.302556102386994,9.302635554605425,9.302689572550937,0.03,0.06197785583075066,0.07769121257258528,0.08536696848110063,0.08914559430682141,0.0909843805519362,0.09188968403755154,0.09231688389405339,0.09255610238699184,0.09263555460542329,0.09268957255093516,1.33,1.2980221441692494,1.2823087874274148,1.2746330315188994,1.2708544056931788,1.269015619448064,1.2681103159624487,1.2676831161059468,1.2674438976130082,1.267364445394577,1.267310427449065,second
+280,7.42,92,2.7608147166332416e+16,2.33,0.8458682675776092,125.1,Branched,Base,1,0.1894990785765988,0.10025602065534474,9.74,1.6044612458049627,1.5693386944560055,1.5675723488238156,1.5666201770174122,1.571112029887064,1.5687484064901844,1.5675466208684026,1.5669915241627361,1.5686718521185794,1.568577802167368,0.28,0.28,0.28,0.28,0.28,0.28,0.28,0.28,0.28,0.28,0.28,4.56,7.271846251398346,7.283553768514666,7.284142550392063,7.284459940994197,7.2829626567043135,7.2837505311699395,7.2841511263772,7.2843361586124225,7.283776049293808,7.283807399277545,third
+275,9.17,95,2.80077732410718e+17,2.81,1.0331844833456545,56.7,Branched,Acid,1,0.25230917249297147,0.13374657019412772,6.86,1.1538968764885198,1.0684966615335947,1.0591818764422631,1.0579982140241293,1.0578621549599403,1.0582618738040117,1.0571834850259545,1.0591600632988205,1.057454995904229,1.0585633397110448,4.95,4.95,4.95,4.95,4.95,4.95,4.95,4.95,4.95,4.95,4.95,0.3,2.202034374503827,2.230501112822135,2.233606041185912,2.23400059532529,2.2340459483466866,2.233912708731996,2.234272171658015,2.2336133122337265,2.2341816680319235,2.233812220096318,third
+279,7.21,93,2.9008898091722824e+16,1.66,0.5068176023684519,94.5,Ring,Acid,1,0.11229378202825607,0.09389993520543216,4.81,4.5044463206587615,4.245357429817761,4.025187577899739,3.838360523336068,3.680381789986668,3.5470053870511884,3.4342338090690103,3.3383180359192473,3.2565610572425894,3.187238506844768,3.94,3.94,3.94,3.94,3.94,3.94,3.94,3.94,3.94,3.94,3.94,1.34,1.6455536793412382,1.9046425701822385,2.1248124221002613,2.311639476663932,2.4696182100133317,2.6029946129488115,2.7157661909309896,2.811681964080753,2.8934389427574105,2.9627614931552317,first
+270,4.25,94,1.0454473089074538e+17,3.96,1.3762440252663892,151.6,Unknown,Base,0,0.06811647385170845,0.046826736327289405,5.53,5.236716206792553,4.958986835483806,4.69598555453318,4.446923521882237,4.2110705426008455,3.987732800766616,3.77624770995355,3.5759839132320357,3.386341283168848,3.206750921827153,1.43,1.43,1.43,1.43,1.43,1.43,1.43,1.43,1.43,1.43,1.43,3.75,3.75,3.75,3.75,3.75,3.75,3.75,3.75,3.75,3.75,3.75,first
+270,5.97,100,1.181408049705817e+17,2.17,0.7747271675523681,101.3,Ring,Base,1,0.005315427917490664,0.0033401607151889493,8.92,8.911364522165714,8.903084729638929,8.895145412081705,8.887531998901341,8.88023066017431,8.873228250624006,8.866512148202805,8.860070253600803,8.853890990245814,8.84796330430337,0.36,0.3513645221657142,0.34308472963892883,0.33514541208170645,0.32753199890134216,0.3202306601743129,0.3132282506240077,0.3065121482028061,0.30007025360080447,0.2938909902458162,0.28796330430337164,1.81,1.818635477834286,1.8269152703610714,1.8348545879182936,1.842468001098658,1.8497693398256874,1.8567717493759925,1.863487851797194,1.8699297463991957,1.876109009754184,1.8820366956966286,second
+277,10.1,99,1.8271625872001667e+17,2.83,1.0402767116551463,77.5,Linear,None,0,0.03912054370366811,0.03328832511871932,7.04,6.823085125827916,6.612853792980237,6.409100060774608,6.211623845152043,6.020232069016945,5.834737808183146,5.6549594448315315,5.480720667510043,5.311850471133674,5.148183156984471,4.51,4.51,4.51,4.51,4.51,4.51,4.51,4.51,4.51,4.51,4.51,3.35,3.35,3.35,3.35,3.35,3.35,3.35,3.35,3.35,3.35,3.35,first
+270,11.33,97,2.0550685363833277e+17,1.55,0.4382549309311553,157.9,Linear,Base,0,0.03518604617720016,0.029431744397553705,8.76,5.067869864651316,4.272969456708439,3.910250954146682,3.7066238197441064,3.5805676544408453,3.4972535310306307,3.4407976526950854,3.4013521587287276,3.373386243006782,3.35343262807056,2.73,0.8839349323256585,0.4864847283542199,0.3051254770733417,0.20331190987205378,0.14028382722042337,0.09862676551531602,0.07039882634754337,0.05067607936436438,0.036693121503391435,0.026716314035280568,0.98,2.8260650676743415,3.22351527164578,3.4048745229266584,3.5066880901279465,3.5697161727795765,3.611373234484684,3.6396011736524567,3.659323920635636,3.673306878496609,3.6832836859647196,third
+274,11.1,100,3.064505953202239e+17,4.96,1.601405740736836,51.7,Ring,Base,0,0.026420115621779677,0.023187608141507582,6.72,6.579455965563812,6.441851311134233,6.3071245557277775,6.175215436465322,6.046065099218153,5.919615911284001,5.7958113848534625,5.6745961770099935,5.555916089729914,5.439718069882408,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,3.93,4.070544034436187,4.208148688865767,4.342875444272222,4.474784563534677,4.603934900781846,4.730384088715998,4.854188615146537,4.975403822990006,5.0940839102700854,5.210281930117591,first
+274,8.11,93,1.876102801012717e+17,3.73,1.3164082336557241,113.9,Ring,Acid,0,0.34941430359159703,0.26426096982741154,3.33,1.166854751882554,0.7069280702211712,0.5072402380216217,0.395851951445461,0.3240194741956882,0.2747284766971319,0.2381753827031785,0.21018237521085176,0.18829307731701062,0.17046531251662198,1.13,1.13,1.13,1.13,1.13,1.13,1.13,1.13,1.13,1.13,1.13,1.68,2.761572624058723,2.9915359648894144,3.091379880989189,3.1470740242772695,3.182990262902156,3.207635761651434,3.2259123086484105,3.239908812394574,3.2508534613414946,3.259767343741689,second
+280,12.64,92,2.2107824824864598e+17,1.61,0.4762341789963717,126.1,Unknown,Base,1,1.517455122360983,1.342484573994238,4.63,1.9686132064134936,1.9679334624198221,1.9684022117866466,1.968086009104013,1.9684345181960141,1.968484191690176,1.968451183378236,1.9689661773039882,1.9685027560452109,1.9694779106391613,1.76,0.42930660320674674,0.4289667312099111,0.4292011058933235,0.4290430045520068,0.42921725909800734,0.42924209584508827,0.4292255916891182,0.42948308865199425,0.42925137802260555,0.4297389553195807,0.55,1.8806933967932535,1.8810332687900893,1.8807988941066769,1.8809569954479937,1.8807827409019933,1.880757904154912,1.880774408310882,1.880516911348006,1.8807486219773946,1.8802610446804195,third
+276,4.47,97,4.219184992615898e+16,2.23,0.8020015854720274,125.8,Linear,Acid,0,0.01848158258207296,0.014555802001496004,5.3,5.285214733934342,5.270429467868683,5.255644201803024,5.240858935737366,5.226073669671708,5.21128840360605,5.196503137540391,5.181717871474733,5.166932605409075,5.152147339343417,0.23,0.23,0.23,0.23,0.23,0.23,0.23,0.23,0.23,0.23,0.23,4.34,4.354785266065658,4.369570532131316,4.384355798196975,4.399141064262634,4.413926330328292,4.42871159639395,4.443496862459608,4.4582821285252665,4.473067394590925,4.487852660656584,zero
+277,7.8,91,4.910090217615202e+17,1.01,0.009950330853168092,146.9,Ring,Base,0,3.3911992404076132,1.8942523419246746,7.49,0.24825075352510412,0.17562552060969774,0.1434286778705703,0.1241238387737141,0.11110635317728602,0.10138404401423315,0.09383569211950608,0.08782289507086073,0.08282126598331163,0.07855192974936703,4.35,4.35,4.35,4.35,4.35,4.35,4.35,4.35,4.35,4.35,4.35,3.31,5.723916415491632,5.7481248264634335,5.7588571073764765,5.765292053742096,5.769631215607571,5.77287198532859,5.775388102626832,5.777392368309714,5.779059578005564,5.780482690083545,third
+275,9.64,91,4.590715219543022e+17,1.32,0.27763173659827955,20.7,Linear,Acid,0,2.378695401742285,2.030099495427358,5.97,0.29631795511422027,0.20950738134522248,0.17117213826367478,0.1482288578790292,0.13261355787657741,0.1210002338060963,0.1120919133971858,0.10487238197702872,0.09884945210661027,0.09375801835089002,4.04,4.04,4.04,4.04,4.04,4.04,4.04,4.04,4.04,4.04,4.04,4.73,6.6212273482952595,6.650164206218259,6.662942620578774,6.67059038070699,6.675795480707808,6.679666588731301,6.682636028867605,6.685042539340991,6.68705018263113,6.68874732721637,third
+276,11.45,94,1.1023143452059891e+17,4.01,1.3887912413184778,26.8,Branched,Acid,0,0.1784860921563209,0.11995720343359241,4.05,2.6796990963615146,2.0290380653810813,1.6487145979395308,1.4004912717473164,1.2249173916031402,1.095552620226748,0.9950085036970436,0.9154611417949443,0.851333564391942,0.7981417099429027,3.68,2.309699096361515,1.6590380653810815,1.2787145979395311,1.0304912717473167,0.8549173916031405,0.7255526202267484,0.625008503697044,0.5454611417949446,0.4813335643919423,0.428141709942903,0.32,1.6903009036384855,2.3409619346189188,2.7212854020604693,2.9695087282526837,3.14508260839686,3.2744473797732523,3.374991496302956,3.4545388582050554,3.5186664356080577,3.571858290057097,second
+270,9.17,96,1.8694870693787574e+17,2.13,0.7561219797213337,185.0,Branched,Base,0,0.049972979144849314,0.043259370013882546,3.3,2.6108069609044207,2.1610906622323647,1.8420422707904238,1.6075747223104064,1.4253211114684885,1.2791030940096308,1.160863242428062,1.0632955187006294,0.9803766281657177,0.9091133807953703,3.8,3.8,3.8,3.8,3.8,3.8,3.8,3.8,3.8,3.8,3.8,2.59,2.934596519547789,3.1594546688838174,3.3189788646047877,3.4362126388447964,3.5273394442657553,3.6004484529951846,3.659568378785969,3.708352240649685,3.749811685917141,3.785443309602315,second
+275,11.84,99,4.027853191964555e+17,2.9,1.0647107369924282,61.3,Branched,Acid,0,0.06308470371773767,0.039149734912247276,1.41,1.3406062476282525,1.2746277529404157,1.2118959018492488,1.1522498052026862,1.0955395080121013,1.0416215920189718,0.9903587303242833,0.9416196873885272,0.8952793190317019,0.8512185724333124,1.73,1.73,1.73,1.73,1.73,1.73,1.73,1.73,1.73,1.73,1.73,1.17,1.2393937523717475,1.3053722470595843,1.3681040981507513,1.427750194797314,1.4844604919878988,1.5383784079810283,1.5896412696757167,1.6383803126114729,1.6847206809682982,1.7287814275666875,first
+274,1.28,90,2.3935476061855656e+16,1.01,0.009950330853168092,138.8,Branched,Enzyme,0,0.16636382224415602,0.11886497340254744,1.95,1.7070012382139734,1.4942625261651472,1.3077881594202738,1.1445340585270762,1.0018225939605543,0.8771454554175344,0.7681636518166692,0.6727075112984383,0.5889037215793962,0.5155178437695397,0.69,0.69,0.69,0.69,0.69,0.69,0.69,0.69,0.69,0.69,0.69,0.59,0.8329987617860265,1.0457374738348526,1.232211840579726,1.3954659414729236,1.5381774060394453,1.6628545445824654,1.7718363481833306,1.8672924887015614,1.9510962784206036,2.02448215623046,first
+280,10.86,99,4.1080294320795974e+17,1.22,0.19885085874516517,99.9,Branched,Enzyme,0,0.13940881109701755,0.06995048751840098,7.3,2.785240927639838,1.7196340823036131,1.2447748874224795,0.9747590674484102,0.8012657768644866,0.6799271742094648,0.59123393993202,0.5223089503033629,0.46787358347720087,0.42373430350470837,0.65,0.65,0.65,0.65,0.65,0.65,0.65,0.65,0.65,0.65,0.65,2.68,4.93737953618008,5.470182958848192,5.707612556288759,5.842620466275794,5.929367111567756,5.990036412895267,6.03438303003399,6.068845524848318,6.096063208261399,6.118132848247646,second
+280,1.12,91,2.4731084107763917e+17,0.86,-0.15082288973458366,44.8,Branched,Enzyme,1,2.6083869527287824,1.9154189542821016,5.07,1.3830030893376986,1.3841982974331586,1.3828982561032301,1.3815971943416534,1.3820685068789784,1.3837551750866217,1.3839389149437977,1.3822001203365946,1.3816126780214262,1.3829109276902973,3.53,3.53,3.53,3.53,3.53,3.53,3.53,3.53,3.53,3.53,3.53,2.37,3.598998970220769,3.5986005675222827,3.59903391463226,3.5994676018861185,3.5993104977070103,3.5987482749711304,3.598687028352072,3.5992666265544737,3.5994624406595306,3.5990296907699078,third
+276,2.76,99,3.471239933309515e+17,1.08,0.0769610411361284,151.2,Linear,Acid,0,0.06360183824193849,0.03480836278365693,4.58,4.529118529406449,4.478237058812899,4.427355588219347,4.376474117625797,4.325592647032246,4.274711176438695,4.223829705845144,4.172948235251593,4.122066764658043,4.071185294064492,3.88,3.88,3.88,3.88,3.88,3.88,3.88,3.88,3.88,3.88,3.88,1.34,1.3908814705935508,1.4417629411871016,1.4926444117806525,1.5435258823742033,1.594407352967754,1.645288823561305,1.6961702941548558,1.7470517647484065,1.7979332353419575,1.8488147059355082,zero
+275,9.18,100,2.607437809739084e+17,4.96,1.601405740736836,132.4,Ring,None,0,0.026370197830255016,0.013389650548140071,1.38,1.3511922362797324,1.3229858404027546,1.2953682587116373,1.2683271912703071,1.2418506038987742,1.2159267286079674,1.190544030758653,1.1656912085202429,1.141357192870795,1.1175311475970144,3.31,3.31,3.31,3.31,3.31,3.31,3.31,3.31,3.31,3.31,3.31,2.8,2.8,2.8,2.8,2.8,2.8,2.8,2.8,2.8,2.8,2.8,first
+271,3.22,93,3.1875936957019654e+17,0.8,-0.2231435513142097,23.2,Linear,None,0,0.37781124011546496,0.3389813997152403,9.81,9.550000762915328,9.549999045166796,9.54999985002304,9.550001707166013,9.549998701232626,9.549999765078361,9.550001989919743,9.550000158975852,9.549999595390725,9.55000094823336,0.13,3.8145766409266247e-07,-4.774166023879497e-07,-7.498848171361335e-08,8.535830049442261e-07,-6.493836888494144e-07,-1.1746082231484978e-07,9.949598686239671e-07,7.948792358954665e-08,-2.0230463902228072e-07,4.741166774659528e-07,0.34,0.46999961854233585,0.47000047741660234,0.47000007498848156,0.46999914641699486,0.4700006493836886,0.470000117460822,0.4699990050401311,0.46999992051207606,0.4700002023046386,0.46999952588332217,third
+278,12.28,91,2.8325282781600947e+17,4.98,1.6054298910365616,196.3,Linear,Acid,0,2.255108051012928,1.351720705932208,6.21,3.2544425626385483,3.2500125730396663,3.2500000752404032,3.25000023946257,3.249999462193798,3.249999826550217,3.2500015056257334,3.250000512879563,3.24999923596634,3.2500006600732183,2.96,0.004442562638548808,1.257303966722337e-05,7.524040411550794e-08,2.394625712821337e-07,-5.378062010134009e-07,-1.7344978232399525e-07,1.5056257338288093e-06,5.128795637436175e-07,-7.640336591455626e-07,6.600732188843879e-07,2.86,5.815557437361451,5.819987426960332,5.819999924759596,5.819999760537429,5.820000537806202,5.820000173449783,5.819998494374267,5.819999487120437,5.82000076403366,5.819999339926782,second
+279,4.07,100,3.338891321534337e+17,4.85,1.5789787049493917,160.1,Ring,Enzyme,0,0.0632168575068752,0.03987215765028561,4.31,4.097448278850968,3.8953788035526173,3.7032740275118363,3.5206383980302953,3.3470095096176005,3.1819467793484626,3.0250283647626275,2.875851163864874,2.7340308151250157,2.5992016974778993,0.51,0.51,0.51,0.51,0.51,0.51,0.51,0.51,0.51,0.51,0.51,1.8,1.8,1.8,1.8,1.8,1.8,1.8,1.8,1.8,1.8,1.8,first
+274,7.94,90,9.585520592389632e+16,1.4,0.3364722366212129,166.9,Linear,None,0,0.666242793679523,0.5894138520520192,5.49,3.851111384104384,3.694627630203043,3.6734699752002706,3.670491608900935,3.6700697255342365,3.6700099457297153,3.6700013907364912,3.6700003060523625,3.670000141785478,3.670000069176816,1.82,0.18111138410438457,0.024627630203043836,0.00346997520027152,0.0004916089009360784,6.972553423770423e-05,9.945729716262397e-06,1.390736492139845e-06,3.060523635634209e-07,1.4178547945337096e-07,6.91768177515967e-08,0.6,2.2388886158956156,2.3953723697969562,2.416530024799729,2.4195083910990642,2.419930274465763,2.419990054270284,2.419998609263508,2.419999693947637,2.4199998582145215,2.419999930823183,second
+278,9.01,90,3.641904654611572e+17,3.24,1.1755733298042381,74.5,Unknown,None,0,4.46912855764596,3.836883139381219,4.53,0.13621405479532378,0.06909924956252898,0.0462996393679063,0.03483689763726309,0.027905684983952104,0.023283477403919114,0.019959341126478552,0.0174919244879876,0.015551526900078579,0.013995277810844526,4.47,4.47,4.47,4.47,4.47,4.47,4.47,4.47,4.47,4.47,4.47,3.63,5.826892972602338,5.860450375218736,5.871850180316047,5.877581551181368,5.881047157508023,5.88335826129804,5.8850203294367605,5.886254037756006,5.887224236549961,5.8880023610945775,second
+280,2.71,92,4.575879866138589e+17,4.42,1.4861396960896067,35.3,Branched,Enzyme,1,3.1408301798967315,1.9600956708035253,8.6,4.771110025287586,4.771022816024227,4.770787158106329,4.770513592170073,4.770606118548792,4.770883296555652,4.771113713853584,4.771145728259441,4.770779123868152,4.770944544658628,2.06,0.145555012643794,0.14551140801211443,0.1453935790531642,0.145256796085036,0.14530305927439544,0.14544164827782624,0.14555685692679182,0.14557286412972195,0.14538956193407854,0.14547227232931753,3.39,5.304444987356205,5.304488591987885,5.304606420946837,5.304743203914964,5.304696940725605,5.304558351722174,5.304443143073208,5.304427135870276,5.304610438065918,5.304527727670677,third
+272,12.94,93,2.4483736161618384e+17,4.31,1.4609379041156563,89.9,Unknown,None,0,0.33774949566802237,0.24438328102966267,2.29,2.2125846663144273,2.171311980902084,2.1486715993031518,2.1360648065665555,2.129047284165445,2.1250905804119626,2.1228703725958424,2.1216196738592012,2.1209126883232825,2.1205157687115403,0.17,0.09258466631442691,0.05131198090208388,0.028671599303151434,0.016064806566555262,0.009047284165444699,0.005090580411962553,0.0028703725958420683,0.0016196738592008757,0.0009126883232821424,0.0005157687115398158,3.52,3.5974153336855728,3.638688019097916,3.6613284006968483,3.6739351934334445,3.680952715834555,3.6849094195880374,3.6871296274041576,3.688380326140799,3.6890873116767176,3.6894842312884597,second
+278,13.91,99,1.9918024185101795e+17,2.79,1.0260415958332743,187.3,Linear,Acid,0,0.04977714214583655,0.025182350276155823,6.6,1.9582731158711413,1.416051363719478,1.165423344820859,1.0124812554271467,0.9083716601134681,0.8302713341301723,0.7692600337368877,0.7205178799613334,0.6800180548254037,0.645304929517475,2.14,2.14,2.14,2.14,2.14,2.14,2.14,2.14,2.14,2.14,2.14,4.86,6.407242294709621,6.587982878760176,6.671525551726382,6.722506248190953,6.757209446628846,6.7832428886232785,6.8035799887543735,6.819827373346225,6.8333273150582015,6.844898356827511,third
+275,1.28,96,2.7555217482359606e+17,4.28,1.4539530095937054,36.5,Ring,Acid,1,0.16029031966232454,0.08119065040476578,9.64,9.68273047347807,9.694133190775664,9.697143009982783,9.697986400419975,9.698188747894628,9.698234032591875,9.69827155556447,9.698296528707445,9.698194515099186,9.698244568990447,0.11,0.1527304734780688,0.16413319077566357,0.16714300998278253,0.16798640041997384,0.16818874789462746,0.1682340325918751,0.16827155556447002,0.1682965287074457,0.16819451509918562,0.16824456899044665,3.28,3.237269526521931,3.225866809224336,3.222856990017217,3.2220135995800256,3.221811252105372,3.221765967408124,3.221728444435529,3.221703471292553,3.2218054849008135,3.2217554310095524,second
+272,3.28,99,2.0587809031437142e+17,4.57,1.5195132049061133,160.3,Ring,None,0,0.020000959392199362,0.015106853861929625,7.13,7.016822406312807,6.905441330115982,6.795828250916951,6.687955085827461,6.581794241008187,6.477318551488133,6.374501267770376,6.273316055832063,6.173736997124407,6.075738588572694,3.43,3.43,3.43,3.43,3.43,3.43,3.43,3.43,3.43,3.43,3.43,2.19,2.3031775936871925,2.414558669884018,2.5241717490830484,2.6320449141725377,2.7382057589918123,2.842681448511866,2.945498732229623,3.046683944167937,3.146263002875593,3.2442614114273054,first
+274,5.12,95,1.819891799241944e+17,3.14,1.144222799920162,109.0,Branched,Acid,0,0.14087732619728255,0.07094474716286903,8.58,8.467298139042175,8.354596278084347,8.241894417126522,8.129192556168697,8.01649069521087,7.903788834253044,7.791086973295218,7.678385112337391,7.565683251379566,7.452981390421739,2.72,2.72,2.72,2.72,2.72,2.72,2.72,2.72,2.72,2.72,2.72,4.64,4.752701860957826,4.865403721915652,4.978105582873479,5.090807443831304,5.20350930478913,5.316211165746957,5.428913026704783,5.541614887662609,5.654316748620435,5.767018609578262,zero
+270,8.6,94,2.702401739245711e+17,4.14,1.4206957878372228,171.5,Ring,Acid,1,0.1760759015205778,0.13455530787219622,6.1,5.639753629908767,5.479921678667428,5.421186865850024,5.399492105105768,5.391531381757601,5.388187027018884,5.387292599825701,5.386614927179639,5.386548831928025,5.386582169218178,1.51,1.0497536299087664,0.8899216786674287,0.8311868658500245,0.8094921051057686,0.8015313817576022,0.7981870270188851,0.7972925998257013,0.7966149271796392,0.7965488319280261,0.7965821692181787,4.9,5.360246370091233,5.520078321332572,5.578813134149976,5.600507894894232,5.608468618242399,5.611812972981116,5.612707400174299,5.613385072820361,5.613451168071975,5.613417830781822,second
+273,12.3,99,2.431781746345877e+17,4.91,1.5912739418064292,177.9,Unknown,Base,0,0.0277337352565409,0.02202792354265972,6.12,4.812542560728467,3.967814196641217,3.3728760607209924,2.9376184111907264,2.599660258202957,2.3302019722148213,2.113012987837038,1.9337702498848928,1.7813001387820873,1.6508148729261976,1.27,1.27,1.27,1.27,1.27,1.27,1.27,1.27,1.27,1.27,1.27,3.85,4.503728719635767,4.926092901679392,5.223561969639505,5.441190794404637,5.610169870898523,5.74489901389259,5.853493506081482,5.943114875057555,6.019349930608957,6.084592563536902,second
+280,4.58,92,2.9441049595087264e+17,1.89,0.636576829071551,49.7,Linear,Acid,0,2.020799055070427,1.6160649485591043,4.53,2.9133607559436587,1.2967215118873168,-0.3199177321690252,-1.9365569762253667,-3.5531962202817082,-5.169835464338051,-6.78647470839439,-8.40311395245073,-10.019753196507068,-11.63639244056341,0.37,0.37,0.37,0.37,0.37,0.37,0.37,0.37,0.37,0.37,0.37,1.14,2.756639244056341,4.373278488112684,5.989917732169025,7.606556976225367,9.223196220281707,10.839835464338051,12.45647470839439,14.07311395245073,15.689753196507068,17.30639244056341,zero
+277,13.47,99,7.784081155682576e+16,1.92,0.6523251860396901,109.2,Branched,Acid,1,0.01666614066952869,0.01304827692456081,2.03,1.8366462047242968,1.7107727083544932,1.6222555091889344,1.5588260066137032,1.5128616067970757,1.4775486802335747,1.4502522524043773,1.429569965676852,1.4138896817657363,1.401574022687451,0.98,0.98,0.98,0.98,0.98,0.98,0.98,0.98,0.98,0.98,0.98,2.95,3.0144512650919015,3.056409097215169,3.0859148302703554,3.1070579977954327,3.122379464400975,3.1341504399221423,3.1432492491985413,3.150143344774383,3.1553701060780885,3.1594753257708503,third
+276,9.02,94,6.2005054134321736e+16,2.61,0.959350221334602,189.5,Linear,Acid,0,0.10039821993161237,0.06962075927805642,5.79,1.400194163917678,1.0045533605629289,0.8247450792757868,0.7161211155753174,0.6415335339051242,0.5859950950117447,0.543266224730433,0.5085016829015231,0.47950420469431093,0.45496275175531997,0.91,0.91,0.91,0.91,0.91,0.91,0.91,0.91,0.91,0.91,0.91,0.22,1.6832686120274407,1.815148879812357,1.8750849735747377,1.9112929614748941,1.936155488698292,1.9546683016627517,1.968911258423189,1.9804994390328257,1.9901652651018964,1.9983457494148933,third
+274,5.73,91,1.8122615529593357e+17,2.47,0.9042181506398859,83.0,Ring,Acid,1,0.812069948973317,0.6839830990547754,4.85,3.4972206706959588,3.4971942420813122,3.4980992346309407,3.496958122009486,3.4980066624260537,3.496912995059714,3.4981542808388792,3.4970315937066974,3.498274307738724,3.4975749596860233,1.01,0.3336103353479797,0.3335971210406566,0.3340496173154708,0.33347906100474345,0.3340033312130272,0.3334564975298577,0.33407714041944025,0.3335157968533496,0.334137153869363,0.3337874798430122,4.17,4.84638966465202,4.846402878959344,4.84595038268453,4.8465209389952575,4.845996668786974,4.846543502470143,4.84592285958056,4.846484203146651,4.845862846130637,4.846212520156988,third
+276,5.2,91,3.493639601833213e+17,2.83,1.0402767116551463,122.2,Ring,None,1,2.0910545181616778,1.6548874261399191,1.18,0.70479703158372,0.7049311626124796,0.7045581457276938,0.7042714065924057,0.7048004791587745,0.7051551647151976,0.7052434871643853,0.7054601354152842,0.7057439329423739,0.7056895000189178,4.77,4.53239851579186,4.532465581306239,4.5322790728638465,4.532135703296202,4.532400239579385,4.532577582357595,4.532621743582189,4.532730067707639,4.532871966471184,4.532844750009457,2.61,2.8476014842081403,2.847534418693761,2.8477209271361543,2.8478642967037993,2.8475997604206147,2.847422417642403,2.847378256417809,2.847269932292359,2.8471280335288145,2.847155249990543,third
+270,10.94,96,6.364575992640346e+16,4.68,1.5432981099295553,23.6,Unknown,None,1,0.017013052861163513,0.014336321188436236,8.74,8.652652321005329,8.567468037840593,8.484393565358987,8.403376561948198,8.324366140125237,8.247312688022278,8.172167747388118,8.09888401358818,8.02741533560451,7.957716716035789,0.51,0.51,0.51,0.51,0.51,0.51,0.51,0.51,0.51,0.51,0.51,2.66,2.7473476789946716,2.832531962159407,2.9156064346410133,2.9966234380518024,3.075633859874763,3.152687311977722,3.227832252611883,3.301115986411821,3.3725846643954887,3.4422832839642106,first
+276,9.76,99,3.791675509443772e+17,2.33,0.8458682675776092,22.1,Ring,None,0,0.06947302319941927,0.04142863643081351,5.44,3.0966531880113757,2.503920142000182,2.2091995912640923,2.027102723161991,1.9030986903578708,1.8118534596239633,1.742803371841036,1.6883162551556237,1.6442626557830595,1.6081682291651829,2.03,0.8583265940056874,0.5619600710000907,0.41459979563204585,0.3235513615809951,0.26154934517893513,0.21592672981198135,0.1814016859205178,0.15415812757781153,0.13213132789152945,0.11408411458259117,3.59,4.761673405994311,5.058039928999908,5.205400204367953,5.296448638419004,5.358450654821063,5.404073270188016,5.4385983140794805,5.465841872422187,5.487868672108469,5.505915885417407,third
+277,7.81,99,3.979465217339635e+17,2.36,0.8586616190375187,95.2,Branched,Base,1,0.0852025123777929,0.04262219021984699,2.65,2.1374513700857456,1.8714890246657787,1.7112721790529275,1.6153043998476633,1.554578936605823,1.5172286874250187,1.4927761752874664,1.4767533144870697,1.4669907166244704,1.4605753137371285,1.81,1.81,1.81,1.81,1.81,1.81,1.81,1.81,1.81,1.81,1.81,3.59,3.8462743149571272,3.97925548766711,4.059363910473536,4.107347800076168,4.137710531697088,4.15638565628749,4.168611912356266,4.176623342756465,4.181504641687765,4.1847123431314355,second
+273,3.93,98,8.686725205820581e+16,0.6,-0.5108256237659907,75.7,Ring,Acid,1,0.015391553024099437,0.01383549598135276,3.61,3.197209145893527,2.9084617484892097,2.694166587088821,2.5274140152968627,2.392855820050178,2.282743823263435,2.1909784760815083,2.1128470155196655,2.045593663663902,1.9873146769393297,1.58,1.3736045729467636,1.229230874244605,1.122083293544411,1.0387070076484313,0.9714279100250889,0.9163719116317175,0.8704892380407542,0.8314235077598325,0.7977968318319507,0.7686573384696647,0.11,0.31639542705323637,0.46076912575539514,0.5679167064555892,0.6512929923515686,0.7185720899749111,0.7736280883682825,0.8195107619592458,0.8585764922401674,0.8922031681680492,0.9213426615303353,third
+272,6.95,92,4.3087440955148646e+17,2.3,0.8329091229351039,149.1,Branched,Base,0,0.9249404511018976,0.4767618426760392,7.35,6.97000151278601,6.970000601797889,6.9699989560903965,6.969998161352395,6.969998264160334,6.970002422105211,6.970001861490674,6.970001910849872,6.970000835264281,6.9700005257397155,0.19,7.563930054826199e-07,3.0089894395405644e-07,-5.219548016499089e-07,-9.19323802257579e-07,-8.679198328501866e-07,1.2110526055240026e-06,9.307453374071597e-07,9.55424936460208e-07,4.1763214075212073e-07,2.628698599269218e-07,3.9,4.089999243606995,4.089999699101058,4.090000521954802,4.090000919323803,4.090000867919834,4.089998788947396,4.089999069254663,4.089999044575065,4.08999958236786,4.0899997371301415,third
+278,5.94,96,7.314936125355744e+16,3.32,1.199964782928397,50.2,Unknown,Enzyme,1,0.06694185855141246,0.048852480504748275,8.66,8.579862818683736,8.532180191009004,8.503368803101848,8.486253429459941,8.47573197228622,8.469476848458845,8.465667385149052,8.463311717187487,8.461975265935438,8.461132035680459,0.39,0.30986281868373594,0.26218019100900447,0.233368803101848,0.216253429459942,0.20573197228621903,0.19947684845884595,0.19566738514905252,0.19331171718748663,0.19197526593543734,0.19113203568045806,2.0,2.0801371813162643,2.1278198089909957,2.156631196898152,2.173746570540058,2.184268027713781,2.190523151541154,2.1943326148509477,2.1966882828125134,2.1980247340645627,2.1988679643195423,second
+272,2.39,90,5.835224490922601e+16,2.04,0.712949807856125,90.4,Unknown,Base,0,0.3033281719483028,0.18577253919981693,2.84,2.2280669068202164,1.747996726124198,1.3703970973699688,1.0746820656795488,0.8440044353451366,0.6629985676315433,0.5198574394945384,0.40768306776586377,0.32011590377781857,0.25141017965980317,1.41,1.41,1.41,1.41,1.41,1.41,1.41,1.41,1.41,1.41,1.41,4.76,5.371933093179783,5.852003273875802,6.22960290263003,6.525317934320451,6.755995564654863,6.937001432368456,7.080142560505461,7.192316932234135,7.2798840962221805,7.348589820340196,first
+275,4.08,91,2.3481227452971254e+17,0.91,-0.09431067947124129,187.4,Branched,Enzyme,1,1.216688143317403,0.9421587359286716,2.55,0.7246268161247802,0.7231003564204818,0.7237160414766819,0.7234785284021987,0.7226118230596414,0.7229937606875627,0.7225841954007122,0.7230383720034754,0.7231424439978703,0.7235629282709416,2.71,1.7973134080623907,1.7965501782102413,1.7968580207383413,1.7967392642010998,1.7963059115298212,1.7964968803437817,1.7962920977003565,1.7965191860017382,1.7965712219989356,1.7967814641354714,0.3,1.2126865919376093,1.2134498217897587,1.2131419792616587,1.2132607357989003,1.2136940884701788,1.2135031196562183,1.2137079022996435,1.2134808139982618,1.2134287780010644,1.2132185358645287,third
+280,4.61,95,2.6408150900898282e+17,3.01,1.1019400787607843,191.1,Linear,Acid,1,0.49960958745540823,0.287014112927806,7.05,1.311868294647567,1.3094919912061889,1.3113883782900102,1.3110868357104937,1.3100752920828915,1.3101090277052136,1.309542985091292,1.3087434190477305,1.309445179886413,1.3103453437102086,0.81,0.81,0.81,0.81,0.81,0.81,0.81,0.81,0.81,0.81,0.81,2.0,3.9127105684508106,3.9135026695979365,3.912870540569996,3.912971054763168,3.9133082359723685,3.913296990764928,3.9134856716362356,3.913752193650756,3.9135182733711953,3.913218218763263,third
+280,9.71,97,4.9417440350844416e+17,0.53,-0.6348782724359695,138.0,Unknown,Base,1,0.3959633324828014,0.3153957157052668,9.82,1.9147690328002769,1.8850952186399328,1.8848941131596917,1.8859130644471476,1.885724034944014,1.8846413280800738,1.8837515890976504,1.8833933374344203,1.8839825418153524,1.8848310986989596,4.99,1.0373845164001385,1.0225476093199666,1.022447056579846,1.0229565322235739,1.0228620174720073,1.022320664040037,1.0218757945488255,1.0216966687172102,1.0219912709076762,1.0224155493494798,0.59,4.54261548359986,4.557452390680033,4.557552943420153,4.557043467776426,4.557137982527991,4.557679335959961,4.558124205451173,4.558303331282787,4.558008729092321,4.557584450650518,third
+278,13.95,98,2.256378378443983e+17,1.37,0.3148107398400336,35.8,Ring,None,0,0.08691541490246517,0.06600077578909998,7.56,7.052194461309775,6.5784984994030875,6.136588032202448,5.724317154256175,5.339755563989324,4.981071425020171,4.646529312338467,4.334490212305428,4.043411522653747,3.7718470524875856,1.59,1.59,1.59,1.59,1.59,1.59,1.59,1.59,1.59,1.59,1.59,4.32,4.8278055386902246,5.301501500596912,5.743411967797552,6.155682845743826,6.540244436010677,6.89892857497983,7.233470687661534,7.545509787694573,7.836588477346254,8.108152947512416,first
+271,3.47,90,4.461998002583398e+16,4.47,1.4973884086254774,78.8,Unknown,None,1,0.20026516758681137,0.11592174777030974,6.06,2.4799189044817775,1.9607021037584973,1.8301236665604455,1.7930241540480694,1.782175040405745,1.7796171239964755,1.7781114062623518,1.778441920055352,1.7780386221899633,1.7780372058896692,1.25,1.25,1.25,1.25,1.25,1.25,1.25,1.25,1.25,1.25,1.25,3.32,5.1100405477591115,5.369648948120751,5.434938166719777,5.453487922975966,5.458912479797127,5.460191438001763,5.460944296868824,5.460779039972325,5.4609806889050185,5.460981397055166,second
+280,2.24,96,4.8887030208220096e+17,0.62,-0.4780358009429998,107.3,Unknown,Base,0,0.6019042404142605,0.48315480616277534,4.35,2.6871115739586813,1.6603143385981167,1.0252727527369951,0.6345779954722235,0.3918332729093793,0.24248765947967296,0.14971863450007417,0.09266156992178827,0.05720806673872103,0.035412057208148995,2.26,2.26,2.26,2.26,2.26,2.26,2.26,2.26,2.26,2.26,2.26,0.66,0.66,0.66,0.66,0.66,0.66,0.66,0.66,0.66,0.66,0.66,first
+277,4.65,96,2.097127862097917e+17,1.01,0.009950330853168092,180.3,Linear,Base,1,0.1651928146993304,0.1312001361556104,5.0,2.5949408231823354,2.1139770616032925,1.9756505897639611,1.9318828365050016,1.9170753863273928,1.912923486649385,1.9109232277503971,1.9109337251647291,1.910465376288458,1.9104519659881825,4.26,4.26,4.26,4.26,4.26,4.26,4.26,4.26,4.26,4.26,4.26,3.05,4.252529588408832,4.493011469198353,4.56217470511802,4.584058581747499,4.591462306836303,4.593538256675307,4.594538386124801,4.594533137417635,4.594767311855771,4.594774017005909,second
+272,4.81,95,3.214412881453688e+17,1.15,0.13976194237515863,57.3,Branched,Acid,1,0.18311611721401183,0.09262637083520431,2.02,1.9399697367563549,1.875793029275226,1.824253629086065,1.7824619985428674,1.7489845597824838,1.7225728731300944,1.701887235831832,1.685496682054781,1.6719255408074805,1.6608065623552792,4.58,4.58,4.58,4.58,4.58,4.58,4.58,4.58,4.58,4.58,4.58,2.79,2.870030263243645,2.934206970724774,2.985746370913935,3.0275380014571325,3.0610154402175165,3.0874271268699056,3.108112764168168,3.124503317945219,3.1380744591925196,3.149193437644721,first
+278,6.21,100,2.8435253167982592e+17,4.02,1.3912819026309295,31.1,Linear,None,1,0.046104108436391344,0.03755907629370953,9.08,2.280245758914676,1.8746290559928418,1.7587495345150792,1.7192173555935923,1.7039509467607734,1.698896729942085,1.6964696435454696,1.696192977488054,1.6956407596611216,1.6955123970868489,1.12,1.12,1.12,1.12,1.12,1.12,1.12,1.12,1.12,1.12,1.12,3.52,5.78658474702844,5.921790314669051,5.960416821828305,5.973594214802135,5.978683017746408,5.980367756685971,5.981176785484843,5.981269007503982,5.981453080112959,5.981495867637716,third
+280,5.55,93,4.713973774014585e+17,0.68,-0.3856624808119846,30.3,Ring,Enzyme,1,2.1057071889406407,1.7552006900900914,3.54,2.12968528796087,2.127673260771605,2.1253402815586773,2.128063451506916,2.1299586218521718,2.1272748788963005,2.125713772804179,2.126942887667479,2.1289673355909864,2.127538248005572,4.55,4.55,4.55,4.55,4.55,4.55,4.55,4.55,4.55,4.55,4.55,4.72,5.4251573560195645,5.426163369614197,5.427329859220661,5.425968274246543,5.425020689073914,5.42636256055185,5.427143113597912,5.426528556166262,5.425516332204508,5.426230875997215,second
+275,2.84,97,3.267253452606376e+17,3.75,1.3217558399823195,152.0,Ring,Base,0,0.12272563044893842,0.10472652257898507,8.25,6.431194796424421,5.640280975447362,5.231906596010184,5.002845958742114,4.8677172236230515,4.785578335369065,4.735105842888143,4.703532003056794,4.683815374785448,4.67137582279537,3.6,1.7811947964244215,0.9902809754473626,0.5819065960101841,0.35284595874211405,0.21771722362305118,0.1355783353690649,0.08510584288814313,0.053532003056793745,0.033815374785447896,0.021375822795370363,2.12,3.938805203575579,4.7297190245526375,5.138093403989816,5.367154041257886,5.502282776376949,5.584421664630935,5.634894157111857,5.666467996943206,5.686184625214552,5.69862417720463,second
+273,6.9,92,2.4131294391588022e+17,1.6,0.47000362924573563,195.5,Ring,Acid,1,0.6012602683943244,0.41470946147460913,3.44,3.1048300299474194,3.05910571315462,3.052428797949852,3.05142339471599,3.0512433006267847,3.051267736101656,3.0511921202469816,3.051305781075268,3.0511880244070784,3.0513729104278804,0.61,0.27483002994741956,0.22910571315462014,0.22242879794985224,0.22142339471598968,0.22124330062678474,0.22126773610165573,0.22119212024698154,0.2213057810752677,0.22118802440707785,0.22137291042788002,0.59,0.9251699700525804,0.9708942868453798,0.9775712020501477,0.9785766052840102,0.9787566993732152,0.9787322638983441,0.9788078797530183,0.9786942189247322,0.978811975592922,0.9786270895721199,second
+277,5.07,97,3.854434061890986e+17,2.61,0.959350221334602,161.2,Unknown,Acid,0,0.19667417864457962,0.1663172094899908,5.33,1.0125132808896986,0.7225635319622027,0.5915943178253885,0.5135197343415053,0.4593671890719028,0.4198422339305641,0.38890153879114436,0.3637817590516399,0.34302807346086295,0.3254566705619587,0.54,0.54,0.54,0.54,0.54,0.54,0.54,0.54,0.54,0.54,0.54,1.53,2.9691622397034334,3.0658121560125986,3.10946856072487,3.135493421886165,3.1535442703093657,3.1667192553564787,3.177032820402952,3.18540608031612,3.192323975513046,3.1981811098126807,third
+273,6.89,96,4.263229982862503e+17,0.78,-0.2484613592984996,96.1,Unknown,Enzyme,0,0.1823267108411684,0.14367422121884277,6.82,5.894369941866582,5.094359760308002,4.401787055694098,3.8028385484090625,3.2860917334732482,2.840792075944626,2.4568530109187865,2.1248559435289374,1.836637692104795,1.5873652394875477,2.21,2.21,2.21,2.21,2.21,2.21,2.21,2.21,2.21,2.21,2.21,4.28,5.205630058133418,6.0056402396919975,6.698212944305902,7.297161451590937,7.813908266526751,8.259207924055374,8.643146989081213,8.975144056471063,9.263362307895203,9.512634760512451,first
+273,11.44,98,3.580475130422082e+17,3.77,1.3270750014599193,116.4,Branched,None,1,0.0634405619098377,0.04132951419474648,1.69,1.3793661240301038,1.2565376967730708,1.198244278248621,1.1691804547460618,1.1540132905525922,1.1458593976988143,1.1419564483381066,1.1393720865321446,1.1381605289112813,1.1376461424463769,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.07,2.1735446253232986,2.214487434408976,2.233918573917126,2.243606515084646,2.248662236482469,2.251380200767062,2.2526811838872978,2.2535426378226187,2.2539464903629063,2.2541179525178743,third
+280,3.41,100,6.335503021226054e+16,3.31,1.1969481893889715,89.9,Ring,Acid,0,0.013991966475682205,0.01045069444978597,7.43,6.418035719325243,5.915516751457839,5.6171656794482825,5.42465202390957,5.294868038787205,5.203280672697191,5.138063283996704,5.090423919829555,5.055286427709172,5.029248009842171,1.24,0.7340178596626215,0.4827583757289199,0.33358283972414104,0.23732601195478525,0.17243401939360214,0.12664033634859528,0.09403164199835179,0.07021195991477744,0.052643213854585584,0.03962400492108477,3.98,4.485982140337378,4.737241624271079,4.886417160275858,4.982673988045214,5.047565980606397,5.093359663651404,5.125968358001647,5.149788040085221,5.1673567861454135,5.180375995078914,third
+273,11.24,95,1.9258781649785654e+17,3.78,1.3297240096314962,37.3,Branched,Enzyme,0,0.12796256393201771,0.11126276282323659,3.12,3.017629948854386,2.9152598977087716,2.8128898465631575,2.7105197954175435,2.608149744271929,2.505779693126315,2.403409641980701,2.301039590835087,2.198669539689473,2.096299488543859,1.28,1.28,1.28,1.28,1.28,1.28,1.28,1.28,1.28,1.28,1.28,2.12,2.222370051145614,2.3247401022912286,2.4271101534368427,2.5294802045824567,2.631850255728071,2.7342203068736852,2.8365903580192993,2.9389604091649133,3.0413304603105273,3.1437005114561414,zero
+274,11.7,98,2.6399308036344822e+17,2.88,1.0577902941478545,41.5,Unknown,Enzyme,0,0.05475897410716667,0.03655730767790347,5.22,3.585458480026469,2.735843963281192,2.20906185385654,1.8501614589570212,1.5937179009124727,1.3995342083622782,1.2462462190431463,1.124073738777157,1.0243800539075734,0.9402867321421401,4.41,4.41,4.41,4.41,4.41,4.41,4.41,4.41,4.41,4.41,4.41,2.25,3.0672707599867657,3.492078018359404,3.75546907307173,3.9349192705214895,4.063141049543764,4.1602328958188615,4.236876890478427,4.297963130611421,4.347809973046213,4.38985663392893,second
+272,4.63,95,3.021768261048983e+17,2.35,0.8544153281560676,32.3,Branched,Enzyme,1,0.1721416916527493,0.12923330468218563,4.46,2.4365733952291584,2.0120977386538645,1.8880396413320386,1.8481236364829112,1.8351526192132461,1.8314152193432,1.8294313819144745,1.8294111301491647,1.8291790473665759,1.8290168356204728,1.03,1.03,1.03,1.03,1.03,1.03,1.03,1.03,1.03,1.03,1.03,3.14,4.151713302385421,4.363951130673067,4.425980179333981,4.445938181758543,4.452423690393377,4.4542923903283995,4.455284309042763,4.455294434925418,4.455410476316712,4.455491582189763,second
+271,2.95,95,1.740535052164113e+17,3.58,1.275362800412609,113.1,Ring,None,0,0.08491516693994558,0.0531909440460759,9.66,9.025568390800595,8.432804298476858,7.8789584324812525,7.361434997752248,6.877904229893627,6.426170118566024,6.004151371038175,5.609881412186916,5.241508384497189,4.897295148062032,4.15,4.15,4.15,4.15,4.15,4.15,4.15,4.15,4.15,4.15,4.15,4.48,4.48,4.48,4.48,4.48,4.48,4.48,4.48,4.48,4.48,4.48,first
+275,10.67,98,7.915024976025363e+16,4.93,1.5953389880545987,46.2,Branched,None,1,0.019197900219986123,0.015288964153624286,9.97,9.877118952913447,9.78676542257041,9.69887062930096,9.613367581777146,9.530191204975095,9.449278334365543,9.370567408599394,9.29399846535404,9.219513141333355,9.14705467226771,0.49,0.49,0.49,0.49,0.49,0.49,0.49,0.49,0.49,0.49,0.49,4.82,4.912881047086555,5.003234577429591,5.091129370699043,5.176632418222854,5.259808795024905,5.340721665634457,5.419432591400605,5.496001534645961,5.570486858666644,5.6429453277322885,first
+273,2.3,91,8.745612890766016e+16,3.51,1.2556160374777743,138.0,Linear,None,0,0.3385436925435662,0.1781049883988765,1.38,1.052570683655393,0.8028428510140477,0.6118423332229883,0.4665746311539335,0.35644655612853576,0.2720387694807887,0.20733680164843044,0.1582053762502221,0.12084508083167741,0.09218035683161674,4.84,4.84,4.84,4.84,4.84,4.84,4.84,4.84,4.84,4.84,4.84,4.1,4.427429316344607,4.677157148985952,4.868157666777011,5.0134253688460655,5.123553443871463,5.207961230519211,5.2726631983515695,5.321794623749778,5.359154919168322,5.387819643168382,first
+271,13.61,96,7.18509607068772e+16,1.94,0.6626879730752367,182.0,Branched,None,0,0.022489529136123947,0.014836949221039548,5.94,2.712998998251517,2.027180892048166,1.6880791608999564,1.477673151143258,1.3293586347928017,1.2183835781585768,1.1321503312939065,1.0613047961998272,1.002134303536336,0.951871789454248,3.68,3.68,3.68,3.68,3.68,3.68,3.68,3.68,3.68,3.68,3.68,3.21,4.285667000582828,4.514273035983945,4.627306946366681,4.697442282952247,4.746880455069066,4.783872140613807,4.812616556235364,4.836231734600057,4.855955232154554,4.87270940351525,third
+277,6.55,91,2.942464141934454e+17,0.73,-0.31471074483970024,37.7,Branched,None,0,2.0322400853769325,1.7677070906471848,5.06,0.9957226709796386,0.19607490194377517,0.038691313713494276,0.007620457532377181,0.0015010924487790882,0.0002965619407235737,5.824190845062749e-05,1.1387064681342916e-05,2.160406307992991e-06,5.771756402573426e-07,0.62,0.62,0.62,0.62,0.62,0.62,0.62,0.62,0.62,0.62,0.62,1.18,5.2442773290203615,6.043925098056224,6.201308686286504,6.232379542467622,6.23849890755122,6.2397034380592755,6.239941758091549,6.239988612935318,6.239997839593691,6.239999422824359,first
+278,3.3,97,3.000389000208564e+16,2.5,0.9162907318741551,67.9,Ring,None,0,0.01781408899094043,0.011499341551388117,4.08,3.09159717268478,2.5646577034215516,2.213116493444163,1.9617789548656184,1.77140966610818,1.6226073353440658,1.500507497854085,1.3980038712570755,1.3109989195439373,1.235924034553421,3.03,2.53579858634239,2.2723288517107756,2.0965582467220814,1.9708894774328092,1.87570483305409,1.8013036676720329,1.7402537489270427,1.6890019356285377,1.6454994597719685,1.6079620172767106,4.95,5.44420141365761,5.707671148289225,5.8834417532779195,6.009110522567191,6.10429516694591,6.178696332327967,6.239746251072958,6.290998064371463,6.334500540228032,6.37203798272329,third
+280,5.39,91,1.3201013649233838e+17,1.2,0.1823215567939546,194.8,Ring,None,0,1.392310649036462,1.0632884987216624,4.24,0.1411834786315029,0.0738933040041796,0.05013963489656449,0.037935551283767056,0.03055956460667517,0.02555700271548901,0.022000408389516682,0.019286570804904316,0.017172680941108288,0.0154781762303829,4.98,2.930591739315751,2.8969466520020895,2.885069817448282,2.8789677756418834,2.8752797823033376,2.8727785013577445,2.871000204194758,2.869643285402452,2.868586340470554,2.8677390881151914,3.53,5.5794082606842474,5.6130533479979094,5.624930182551717,5.6310322243581155,5.634720217696662,5.637221498642255,5.638999795805241,5.640356714597547,5.641413659529445,5.642260911884808,third
+275,6.05,96,1.7872429494494662e+17,2.0,0.6931471805599453,172.4,Unknown,Acid,0,0.10396497282770097,0.07748323341816349,9.64,8.87065866746168,8.162717524563298,7.511223476980878,6.911569607449571,6.359791148720104,5.852173030914213,5.385214060623518,4.955626920909518,4.560338171303595,4.196488247807014,1.96,1.96,1.96,1.96,1.96,1.96,1.96,1.96,1.96,1.96,1.96,4.16,4.16,4.16,4.16,4.16,4.16,4.16,4.16,4.16,4.16,4.16,first
+270,8.18,92,6.4581597308624216e+16,0.96,-0.040821994520255166,88.7,Branched,Enzyme,1,0.10256425389770256,0.05140550503767515,7.15,1.6344319089019175,1.4218291429020529,1.377779935315122,1.3671577458563928,1.3642764992606227,1.3640496767917185,1.3634137322491533,1.3640051480385764,1.3636228781044757,1.3637158015042734,0.58,0.58,0.58,0.58,0.58,0.58,0.58,0.58,0.58,0.58,0.58,3.13,4.968522697032694,5.039390285699315,5.0540733548949595,5.057614084714536,5.058574500246459,5.058650107736094,5.058862089250282,5.0586649506538075,5.058792373965175,5.058761399498575,third
+273,2.87,93,1.2682444898117635e+17,2.77,1.0188473201992472,147.4,Branched,None,1,0.20339594221288274,0.17864073275298356,6.05,1.943048768499315,1.817601353010824,1.8060309615122947,1.8046839651824131,1.8039408515106496,1.804785949972365,1.8044803256601116,1.8037260101256585,1.8058683062304173,1.8047652920629098,3.51,1.4565243842496574,1.3938006765054118,1.3880154807561473,1.3873419825912066,1.3869704257553248,1.3873929749861826,1.387240162830056,1.3868630050628292,1.3879341531152087,1.387382646031455,3.02,5.073475615750342,5.136199323494587,5.141984519243851,5.142658017408793,5.143029574244674,5.142607025013817,5.142759837169944,5.14313699493717,5.14206584688479,5.142617353968544,third
+280,2.12,98,3.1325564397817664e+17,4.01,1.3887912413184778,36.1,Unknown,Base,1,0.16334829471121287,0.11767248857724819,4.98,1.284710181581225,1.1249979260404306,1.0935278058255353,1.0862614654001024,1.0844665129794073,1.0844342320780234,1.0838740046894944,1.0844321125234573,1.0841353058317131,1.0841850805924906,4.98,4.98,4.98,4.98,4.98,4.98,4.98,4.98,4.98,4.98,4.98,0.47,1.7017632728062584,1.7550006913198564,1.765490731391488,1.7679128448666324,1.7685111623401972,1.7685219226406586,1.7687086651035016,1.7685226291588472,1.7686215647227619,1.7686049731358362,third
+280,7.76,96,2.2545730605472733e+17,3.64,1.2919836816486494,40.8,Branched,Enzyme,0,0.2775863208886398,0.16614820100332772,2.3,1.6841554270062948,1.4803437644096367,1.3787772590896892,1.3197156320671701,1.2822323570996252,1.2576137059503196,1.2407285841512325,1.2290668903153608,1.2208505890208734,1.2150006090714536,0.55,0.2420777135031476,0.1401718822048184,0.08938862954484467,0.05985781603358515,0.04111617854981277,0.028806852975159898,0.02036429207561632,0.01453344515768042,0.010425294510436844,0.0075003045357269335,0.55,0.8579222864968525,0.9598281177951816,1.0106113704551554,1.040142183966415,1.0588838214501872,1.0711931470248401,1.0796357079243837,1.0854665548423195,1.089574705489563,1.092499695464273,third
+278,5.55,97,2.782401830229524e+17,3.05,1.1151415906193203,131.3,Branched,Acid,0,0.1651984253002488,0.10898149756398054,6.22,1.2555199895294074,0.7936509920758041,0.5936392874088334,0.47835963496822265,0.403134987003014,0.348873604466119,0.3082530391403957,0.2766877088853592,0.25098089887325165,0.22979191854293446,4.38,1.8977599947647037,1.666825496037902,1.5668196437044166,1.5091798174841113,1.471567493501507,1.4444368022330596,1.424126519570198,1.4083438544426796,1.3954904494366258,1.3848959592714674,0.07,2.5522400052352965,2.783174503962098,2.8831803562955836,2.9408201825158886,2.978432506498493,3.0055631977669406,3.0258734804298024,3.0416561455573206,3.0545095505633744,3.065104040728533,third
+277,11.24,100,1.585291742057453e+17,4.67,1.541159071680806,53.5,Branched,Acid,0,0.021986564136605446,0.016957565437176907,5.28,5.187940752658915,5.0974866013689555,5.008609560739312,4.921282123306765,4.835477267260999,4.751168469539171,4.668329651563129,4.586935176950324,4.506959851513805,4.428378923262223,1.62,1.62,1.62,1.62,1.62,1.62,1.62,1.62,1.62,1.62,1.62,0.65,0.65,0.65,0.65,0.65,0.65,0.65,0.65,0.65,0.65,0.65,first
+279,11.24,100,1.678185338230138e+17,1.77,0.5709795465857378,61.0,Ring,None,0,0.031773901328501435,0.028395951692584374,3.36,3.3345808789371985,3.3091617578743975,3.2837426368115965,3.2583235157487955,3.232904394685994,3.207485273623193,3.1820661525603917,3.1566470314975907,3.1312279104347898,3.1058087893719883,1.16,1.16,1.16,1.16,1.16,1.16,1.16,1.16,1.16,1.16,1.16,0.84,0.8654191210628012,0.8908382421256024,0.9162573631884035,0.9416764842512046,0.9670956053140057,0.9925147263768069,1.017933847439608,1.0433529685024092,1.0687720895652104,1.0941912106280114,zero
+272,5.15,94,3.2488721258109037e+17,4.16,1.425515074273172,26.9,Ring,Acid,0,0.2880073577147594,0.2570983509197332,6.4,1.0871828926087932,0.7040655469036521,0.5363218636676825,0.4388259229628705,0.37390659328496134,0.32712117636388516,0.2912799716926733,0.2632722683271521,0.24056597939476365,0.22152713672976118,3.86,1.2035914463043964,1.012032773451826,0.9281609318338411,0.8794129614814351,0.8469532966424805,0.8235605881819424,0.8056399858463364,0.7916361341635758,0.7802829896973816,0.7707635683648804,0.78,3.4364085536956037,3.6279672265481744,3.7118390681661593,3.760587038518565,3.7930467033575197,3.8164394118180573,3.8343600141536633,3.848363865836424,3.859717010302618,3.8692364316351195,third
+270,4.67,97,1.4648395275210358e+17,0.81,-0.21072103131565253,73.9,Unknown,Base,1,0.02508038556624042,0.015218183755844293,8.6,8.436907771706096,8.278989586099355,8.126080544830582,7.97802219630693,7.834661402862287,7.695849389198857,7.561441742387161,7.431298411866034,7.305283709442628,7.183266309292413,1.5,1.5,1.5,1.5,1.5,1.5,1.5,1.5,1.5,1.5,1.5,0.56,0.7230922282939038,0.8810104139006447,1.0339194551694175,1.1819778036930693,1.325338597137712,1.4641506108011417,1.5985582576128383,1.7287015881339654,1.8547162905573709,1.9767336907075865,first
+275,11.68,96,3.786912837823231e+17,3.0,1.0986122886681098,40.9,Unknown,Enzyme,0,0.2202869455472965,0.14924316758858458,4.47,0.9526501357487281,0.6809723067740285,0.5584488043312265,0.48425085570293047,0.43393826557873144,0.3961546846223072,0.36703736080239846,0.343679791213945,0.32406286467241224,0.30744280942510394,3.41,3.41,3.41,3.41,3.41,3.41,3.41,3.41,3.41,3.41,3.41,1.84,3.0124499547504233,3.1030092310753234,3.1438503985562574,3.1685830480990225,3.1853539114737557,3.1979484384592305,3.2076542130658665,3.2154400695953513,3.2219790451091956,3.227519063524965,third
+276,11.85,99,9.097384081096275e+16,4.75,1.55814461804655,135.2,Branched,Acid,1,0.01666869366183566,0.009295246590966087,5.51,4.361480730236838,3.7650072387039124,3.3875154728167214,3.1253874501149523,2.9292318390148613,2.777274146017363,2.656671615882051,2.557614767962557,2.474916695584961,2.4051760158416458,2.13,1.5557403651184194,1.2575036193519564,1.068757736408361,0.9376937250574764,0.8396159195074309,0.7636370730086818,0.7033358079410257,0.6538073839812788,0.6124583477924808,0.577588007920823,0.12,0.6942596348815807,0.9924963806480437,1.1812422635916393,1.3123062749425238,1.4103840804925694,1.4863629269913186,1.5466641920589745,1.5961926160187214,1.6375416522075195,1.6724119920791771,third
+280,2.73,90,3.4857370021362854e+17,0.67,-0.40047756659712525,161.5,Linear,Enzyme,1,5.649142172687045,3.9722757635651633,7.73,6.766962430927476,6.766917722305936,6.766892637754193,6.766857001239288,6.766902687566314,6.766917657932078,6.766936069196157,6.766933227716769,6.7668874484612775,6.766935539291913,0.5,0.01848121546373706,0.01845886115296541,0.01844631887709404,0.018428500619642872,0.018451343783158103,0.018458828966039696,0.018468034598077266,0.018466613858382275,0.018443724230635766,0.018467769645954358,0.72,1.201518784536263,1.2015411388470352,1.2015536811229075,1.2015714993803595,1.2015486562168436,1.2015411710339625,1.2015319654019256,1.2015333861416209,1.201556275769367,1.2015322303540485,third
+271,11.24,97,6.623419250492697e+16,3.44,1.235471471385307,29.7,Ring,Acid,0,0.013300725135493463,0.009273731132024409,4.55,4.501842029254216,4.454193770598387,4.407049826830982,4.360404861715113,4.314253596341884,4.268590805935011,4.223411319850822,4.178710021578258,4.134481848738871,4.0907217930868285,1.71,1.71,1.71,1.71,1.71,1.71,1.71,1.71,1.71,1.71,1.71,0.17,0.21815797074578433,0.2658062294016126,0.3129501731690174,0.3595951382848864,0.40574640365811565,0.45140919406498903,0.496588680149178,0.5412899784217422,0.5855181512611285,0.6292782069131715,first
+276,12.89,96,6.868071719008777e+16,4.65,1.536867219599265,30.1,Ring,None,0,0.04651662408249379,0.026360796922913893,3.53,3.4969118720232806,3.4681180989111984,3.44297140927401,3.420953259660419,3.4017091812283606,3.3849051049802976,3.370224428027679,3.357368013590941,3.346054190999506,3.3360242138890612,0.27,0.23691187202328073,0.20811809891119853,0.1829714092740098,0.16095325966041904,0.14170918122836082,0.12490510498029779,0.11022442802767929,0.09736801359094127,0.08605419099950637,0.07602421388906147,1.2,1.2330881279767192,1.2618819010888014,1.2870285907259902,1.309046740339581,1.3282908187716391,1.3450948950197021,1.3597755719723206,1.3726319864090586,1.3839458090004935,1.3939757861109385,second
+273,12.52,98,3.538893143039601e+17,2.59,0.9516578757114463,63.5,Branched,Enzyme,1,0.06270379247316202,0.042128283591593776,2.5,1.919369496467373,1.6758104105497045,1.552523670703688,1.4859096263879263,1.447397753313051,1.425180290539838,1.4123000606079088,1.4040501293857568,1.3995280540123045,1.3969897009529322,1.91,1.6196847482336865,1.497905205274852,1.436261835351844,1.402954813193963,1.3836988766565257,1.372590145269919,1.3661500303039547,1.3620250646928787,1.3597640270061524,1.3584948504764662,3.36,3.6503152517663136,3.7720947947251475,3.833738164648156,3.8670451868060365,3.886301123343474,3.8974098547300806,3.9038499696960454,3.9079749353071214,3.9102359729938474,3.9115051495235336,third
+272,12.38,94,1.0999118494827272e+17,4.27,1.451613827240533,96.0,Linear,Enzyme,1,0.09750543980231506,0.07299731387430283,7.16,5.695857253706058,5.004213811403654,4.63462294995843,4.425093318722238,4.3024777667163665,4.228989018173657,4.184991378057992,4.157454743907832,4.141275293867525,4.131191828171437,4.4,2.9358572537060583,2.2442138114036543,1.8746229499584308,1.665093318722239,1.5424777667163672,1.4689890181736571,1.4249913780579921,1.3974547439078315,1.3812752938675248,1.3711918281714357,4.4,5.864142746293942,6.555786188596347,6.92537705004157,7.134906681277762,7.257522233283634,7.331010981826344,7.375008621942008,7.402545256092169,7.418724706132475,7.428808171828564,second
+273,1.39,91,2.687552443865133e+17,2.33,0.8458682675776092,55.4,Branched,Base,0,1.0403546779565893,0.5215013741910764,6.63,2.882479788231765,1.2557228404822616,0.5468627675937385,0.2382534784283205,0.1038032052177035,0.04520676692033779,0.019672281990451693,0.00856030102742156,0.0037265851839432713,0.0016248333236928438,0.02,0.02,0.02,0.02,0.02,0.02,0.02,0.02,0.02,0.02,0.02,4.05,4.05,4.05,4.05,4.05,4.05,4.05,4.05,4.05,4.05,4.05,first
+270,11.09,98,3.79401296060268e+17,0.65,-0.4307829160924542,108.4,Ring,Base,0,0.041607761502749606,0.028649588411351384,4.71,4.555802512553708,4.406653198409593,4.262386638558677,4.12284249990319,3.987866896111549,3.857310678288399,3.7310291794659056,3.6088822146037542,3.4907340805891502,3.3764535562368163,2.34,2.34,2.34,2.34,2.34,2.34,2.34,2.34,2.34,2.34,2.34,2.75,2.9041974874462926,3.053346801590407,3.197613361441323,3.33715750009681,3.472133103888452,3.602689321711602,3.7289708205340952,3.8511177853962466,3.9692659194108506,4.0835464437631845,first
+277,4.39,90,2.769065845272205e+17,1.84,0.6097655716208943,152.5,Ring,None,1,2.9524097821805637,2.631384167553351,1.33,0.7354643117001699,0.7355598538771514,0.7356747927172533,0.7361786554152716,0.7361952744304077,0.736340039127743,0.7368796795101218,0.7368846903081551,0.7372402444553358,0.7370682587839369,1.24,1.24,1.24,1.24,1.24,1.24,1.24,1.24,1.24,1.24,1.24,0.25,0.44817856276660994,0.4481467153742828,0.44810840242758204,0.4479404481949092,0.44793490852319706,0.44788665362408514,0.44770677349662547,0.44770510323061435,0.44758658518155403,0.447643913738687,third
+271,1.56,98,1.33253441659954e+17,0.76,-0.2744368457017603,34.5,Branched,Base,0,0.017167885055764016,0.009491327514950878,6.62,5.6012821473862795,4.8547779662455435,4.281467467055523,3.8320005470782217,3.4722152526471377,3.1725458914135345,2.9180287814868837,2.70159062286519,2.5153091020678344,2.3529397940673555,4.59,4.59,4.59,4.59,4.59,4.59,4.59,4.59,4.59,4.59,4.59,4.32,4.8293589263068615,5.2026110168772295,5.48926626647224,5.71399972646089,5.893892373676432,6.043727054293234,6.170985609256559,6.279204688567406,6.372345448966084,6.453530102966323,second
+274,12.25,99,3.550134087217711e+17,4.52,1.5085119938441398,65.5,Ring,Acid,1,0.04747481254247803,0.03284389199454286,8.53,2.1098575683533642,1.6142881891948524,1.4261879777585067,1.3363291244161715,1.2891153267444713,1.2627448434962398,1.2478378749033276,1.2397318348125879,1.2346173329555707,1.2316989937569884,1.79,1.79,1.79,1.79,1.79,1.79,1.79,1.79,1.79,1.79,1.79,0.24,2.380047477215545,2.5452372702683825,2.6079373407471644,2.637890291861276,2.6536282244185094,2.6624183855012533,2.667387375032224,2.670089388395804,2.6717942223481432,2.6727670020810037,third
+275,1.15,97,3.776657389466357e+17,2.74,1.007957920399979,101.6,Ring,Base,0,0.14186002580918847,0.12401889879828136,2.82,2.6032355516231815,2.4530543032014567,2.344975160230728,2.266014777235987,2.2066508442097623,2.1612190321110365,2.1264931992034253,2.0996571984377206,2.0786260129595404,2.0621652635396597,0.82,0.6032355516231819,0.4530543032014569,0.3449751602307285,0.2660147772359873,0.20665084420976232,0.16121903211103683,0.12649319920342542,0.09965719843772082,0.07862601295954028,0.062165263539659434,4.15,4.366764448376819,4.516945696798544,4.625024839769272,4.703985222764013,4.763349155790238,4.808780967888964,4.843506800796575,4.87034280156228,4.891373987040461,4.907834736460342,second
+276,5.79,96,4.3140328203415366e+17,1.44,0.36464311358790924,137.0,Branched,Enzyme,0,0.2921842566494482,0.15305169647889155,9.81,7.765164300488423,6.146660833530752,4.862166633881005,3.8463122603502247,3.0469484722287623,2.415952605677254,1.9124022229143647,1.5133258631298854,1.1983147355344066,0.949072385244379,2.28,2.28,2.28,2.28,2.28,2.28,2.28,2.28,2.28,2.28,2.28,3.22,3.22,3.22,3.22,3.22,3.22,3.22,3.22,3.22,3.22,3.22,first
+276,6.06,91,2.258185806653958e+17,3.41,1.2267122912954254,142.0,Unknown,Base,0,1.3515960923314956,0.8961510556828066,2.39,1.3087231261348036,0.22744625226960702,-0.8538306215955895,-1.935107495460786,-3.016384369325982,-4.097661243191181,-5.1789381170563775,-6.260214990921575,-7.3414918647867715,-8.42276873865197,1.5,1.5,1.5,1.5,1.5,1.5,1.5,1.5,1.5,1.5,1.5,1.18,2.2612768738651967,3.342553747730393,4.42383062159559,5.505107495460786,6.586384369325982,7.667661243191181,8.748938117056378,9.830214990921576,10.911491864786772,11.99276873865197,zero
+270,2.74,97,2.1307651492032157e+17,0.75,-0.2876820724517809,93.0,Branched,Base,0,0.036482092740603635,0.029007083885921898,3.1,2.6249379418788537,2.276355070060661,2.008389191273671,1.7981380469733137,1.6297371446583178,1.4894400734406035,1.3702110921997326,1.2687794290968177,1.1814510227255848,1.1053153653020311,3.0,3.0,3.0,3.0,3.0,3.0,3.0,3.0,3.0,3.0,3.0,1.98,2.217531029060573,2.3918224649696693,2.5258054043631644,2.630930976513343,2.715131427670841,2.785279963279698,2.8448944539001335,2.895610285451591,2.9392744886372073,2.977342317348984,second
+270,10.5,100,3.7653408996896083e+17,1.53,0.4252677354043441,79.9,Ring,Enzyme,0,0.016941139128062787,0.013131044479121052,3.72,2.5601699435033254,2.068656286491919,1.781499741486259,1.5902051482898472,1.4478523581111242,1.3388368406801219,1.2516811341586267,1.178858885197437,1.117425195272395,1.0646883878460511,0.25,0.25,0.25,0.25,0.25,0.25,0.25,0.25,0.25,0.25,0.25,0.97,1.3566100188322248,1.5204479045026935,1.6161667528379136,1.6799316172367174,1.7273825472962918,1.7637210531066259,1.7927729552804577,1.8170470382675208,1.8375249349092013,1.8551038707179828,third
+280,6.21,94,1.9998430202380835e+17,0.74,-0.3011050927839216,155.3,Ring,None,0,0.5813634185586058,0.5035773429178115,9.12,8.654909265153114,8.18981853030623,7.724727795459345,7.2596370606124605,6.794546325765576,6.32945559091869,5.8643648560718065,5.399274121224922,4.934183386378036,4.469092651531152,4.53,4.53,4.53,4.53,4.53,4.53,4.53,4.53,4.53,4.53,4.53,2.75,3.2150907348468847,3.6801814696937694,4.145272204540654,4.610362939387539,5.075453674234423,5.540544409081309,6.005635143928193,6.470725878775077,6.935816613621963,7.400907348468847,zero
+271,4.28,90,2.51357653018656e+16,3.19,1.1600209167967532,186.7,Linear,Acid,0,0.11281534074390896,0.06084891108111363,2.93,2.6771426167557855,2.4461072191539577,2.2349824189572964,2.0420052404425655,1.8656920001485577,1.7046543795126619,1.5575856419744083,1.4232606329754673,1.3005357799596515,1.1883490923729139,0.7,0.7,0.7,0.7,0.7,0.7,0.7,0.7,0.7,0.7,0.7,1.27,1.27,1.27,1.27,1.27,1.27,1.27,1.27,1.27,1.27,1.27,first
+280,3.22,97,1.0545531308469528e+17,2.44,0.8919980393051105,108.9,Ring,Acid,1,0.084497369553297,0.06083275876286543,7.52,3.4930261113063064,2.9882955210546562,2.8121530489837254,2.737685916617293,2.703479307242057,2.687568608568434,2.679983571032069,2.676350656456274,2.6745239856838627,2.6738264518636297,2.7,0.6865130556531531,0.43414776052732806,0.34607652449186277,0.30884295830864644,0.2917396536210284,0.28378430428421697,0.2799917855160347,0.278175328228137,0.27726199284193126,0.2769132259318147,0.32,2.333486944346847,2.585852239472672,2.673923475508137,2.7111570416913535,2.7282603463789714,2.7362156957157833,2.7400082144839653,2.7418246717718633,2.742738007158069,2.7430867740681855,third
+271,1.91,100,4.1035085024750656e+17,0.69,-0.37106368139083207,99.6,Branched,None,1,0.021761272060879546,0.017961424437221363,9.26,5.184774372318743,4.183351567982664,3.713061888061393,3.4430162977073464,3.2740913912965075,3.1614736002975823,3.085453851552393,3.031329013963499,2.993012102430381,2.965644691220516,3.91,1.8723871861593717,1.3716757839913323,1.136530944030697,1.0015081488536737,0.9170456956482543,0.8607368001487918,0.8227269257761969,0.7956645069817502,0.776506051215191,0.7628223456102585,4.17,6.207612813840629,6.708324216008668,6.943469055969303,7.078491851146327,7.162954304351746,7.219263199851208,7.257273074223804,7.28433549301825,7.3034939487848085,7.3171776543897415,third
+271,8.31,94,3.9010814071938886e+17,1.05,0.04879016416943205,124.3,Linear,Base,1,0.2966485416780074,0.2359788011373496,7.16,5.9255196849508565,5.118521334412565,4.59282633900085,4.249222581904995,4.024265707506393,3.8787140383799534,3.781993067989145,3.719623197021696,3.679615190414745,3.6526770886205187,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.97,2.2044803150491443,3.0114786655874357,3.5371736609991498,3.880777418095005,4.105734292493607,4.251285961620047,4.348006932010855,4.410376802978304,4.4503848095852545,4.477322911379481,first
+272,11.87,94,4.8157332160006317e+17,4.75,1.55814461804655,24.0,Ring,None,0,0.426907106617304,0.37538269580691336,6.63,0.696189316897226,0.4939261773602911,0.40345529355242815,0.3494953639077468,0.31272647917393753,0.28562463600276355,0.2643045177121551,0.2472796891855463,0.23328690087475407,0.22133101373959924,2.75,2.75,2.75,2.75,2.75,2.75,2.75,2.75,2.75,2.75,2.75,2.83,4.807936894367591,4.875357940879903,4.905514902149191,4.923501545364085,4.935757840275355,4.94479178799908,4.95189849409595,4.957573436938152,4.9622376997084165,4.966222995420134,third
+273,13.18,93,1.0280913281574733e+17,3.39,1.220829921392359,46.0,Ring,Base,0,0.16488114559245587,0.11547393634165946,1.97,1.3783324037256852,1.1177796593350666,0.9634520269377846,0.8597112653847006,0.7824046593394276,0.7228268542043917,0.675103823659094,0.6352707258844265,0.6016024600862623,0.572668075036496,1.01,0.7141662018628426,0.5838898296675333,0.5067260134688923,0.4548556326923503,0.4162023296697138,0.3864134271021959,0.36255191182954705,0.34263536294221325,0.32580123004313116,0.311334037518248,1.0,1.2958337981371573,1.4261101703324668,1.5032739865311076,1.5551443673076495,1.5937976703302863,1.623586572897804,1.647448088170453,1.6673646370577866,1.6841987699568688,1.698665962481752,third
+279,10.2,100,4.749286719652299e+17,1.49,0.3987761199573678,182.0,Ring,Enzyme,0,0.08992056131901462,0.054027639339235954,5.78,5.708063550944789,5.636127101889577,5.564190652834365,5.4922542037791535,5.420317754723942,5.34838130566873,5.2764448566135185,5.204508407558307,5.132571958503095,5.060635509447883,0.2,0.2,0.2,0.2,0.2,0.2,0.2,0.2,0.2,0.2,0.2,0.45,0.5219364490552116,0.5938728981104234,0.6658093471656351,0.7377457962208468,0.8096822452760585,0.8816186943312703,0.953555143386482,1.0254915924416936,1.0974280414969053,1.169364490552117,zero
+271,9.02,90,3.8030417859611437e+17,2.86,1.0508216248317612,64.5,Ring,None,0,1.7068963279772773,1.3396068831083978,5.11,3.7444829376181783,2.3789658752363563,1.0134488128545338,-0.35206824952728777,-1.7175853119091098,-3.0831023742909327,-4.448619436672753,-5.814136499054578,-7.179653561436397,-8.545170623818223,0.15,0.15,0.15,0.15,0.15,0.15,0.15,0.15,0.15,0.15,0.15,0.01,1.3755170623818218,2.741034124763644,4.106551187145467,5.472068249527288,6.83758531190911,8.203102374290932,9.568619436672753,10.934136499054578,12.299653561436397,13.665170623818222,zero
+272,10.08,95,4.1479271199878566e+17,3.78,1.3297240096314962,146.0,Ring,Base,1,0.23629581410692155,0.2016948829069142,3.21,1.215072326218439,1.1548864214651873,1.1494093235133684,1.148908896051597,1.1493729453186456,1.1478103889417919,1.1499117610367067,1.150145250674782,1.1490582451990918,1.1491556522275799,3.33,3.33,3.33,3.33,3.33,3.33,3.33,3.33,3.33,3.33,3.33,1.09,1.7549758912605202,1.7750378595116043,1.7768635588288773,1.777030367982801,1.7768756848937848,1.777396537019403,1.7766960796544313,1.7766182497750729,1.7769805849336364,1.7769481159241403,third
+279,13.04,91,2.9039212016394643e+17,2.31,0.8372475245337022,121.7,Ring,Acid,1,2.6623472004852533,2.3148995619043324,6.08,5.115379992834427,5.097420098758275,5.094445781435765,5.095694622393071,5.0986822944567045,5.1018616680564115,5.102371662885059,5.097203671354777,5.096292171920886,5.0982307049268165,1.58,1.58,1.58,1.58,1.58,1.58,1.58,1.58,1.58,1.58,1.58,4.88,5.844620007165573,5.862579901241725,5.865554218564235,5.864305377606929,5.8613177055432955,5.8581383319435885,5.857628337114941,5.862796328645223,5.863707828079114,5.8617692950731835,first
+278,6.26,90,5.877495041079746e+16,1.48,0.3920420877760237,184.0,Linear,Acid,1,0.7212511975636426,0.4622013739540683,6.38,1.8303533107576961,1.8072035883905095,1.8078260653783438,1.8086925990059595,1.8058337872633377,1.8078418960075069,1.807183071226872,1.8054699771727292,1.8088028829792335,1.807753049412239,4.52,4.52,4.52,4.52,4.52,4.52,4.52,4.52,4.52,4.52,4.52,2.81,5.084823344621152,5.0963982058047455,5.096086967310828,5.095653700497021,5.0970831063683315,5.096079051996247,5.096408464386564,5.0972650114136355,5.095598558510384,5.096123475293881,second
+275,6.96,97,4.4525726503748774e+17,3.56,1.269760544863939,171.9,Linear,Enzyme,0,0.16724897335437622,0.12025767864912754,3.04,2.6592861262138867,2.3262540117239676,2.0345546134474928,1.77881988109052,1.5552572265771958,1.3602536239993483,1.1903452086291955,1.0422172769193436,0.912704286502789,0.7988033568405589,4.05,4.05,4.05,4.05,4.05,4.05,4.05,4.05,4.05,4.05,4.05,0.17,0.17,0.17,0.17,0.17,0.17,0.17,0.17,0.17,0.17,0.17,first
+273,13.7,94,2.1387075608912646e+17,2.1,0.7419373447293773,37.8,Ring,Base,1,0.22077409690837738,0.12536869218510502,9.51,2.7993359978317507,2.2774010112894287,2.1857193082911692,2.1682308322384896,2.1647762914631326,2.1633969841880556,2.1641115422252803,2.1621940627508685,2.1648085933275096,2.1642315277165496,4.44,4.44,4.44,4.44,4.44,4.44,4.44,4.44,4.44,4.44,4.44,4.57,7.925332001084125,8.186299494355286,8.232140345854416,8.240884583880757,8.242611854268434,8.243301507905974,8.24294422888736,8.243902968624568,8.242595703336248,8.242884236141727,second
+271,3.72,96,3.084791379951998e+17,1.81,0.5933268452777344,72.7,Linear,None,1,0.09655473627042846,0.0806769846688673,8.76,3.863111402990337,2.6790029959622403,2.2094300072608513,1.990113636948254,1.878789143876462,1.8203160590622272,1.7891746391566008,1.7725856880067148,1.7631617108557704,1.7583033923538172,2.35,2.35,2.35,2.35,2.35,2.35,2.35,2.35,2.35,2.35,2.35,0.17,2.618444298504831,3.210498502018879,3.4452849963695735,3.5549431815258723,3.6106054280617683,3.639841970468886,3.655412680421699,3.6637071559966423,3.6684191445721144,3.670848303823091,second
+276,9.29,96,2.4413982815210416e+17,4.57,1.5195132049061133,55.9,Unknown,Enzyme,1,0.16535297059121393,0.09211695167384958,6.45,1.2666814963655433,1.0874972206332068,1.0487877475420897,1.0392868521848042,1.0368683951187325,1.0359009228347869,1.0360719879760498,1.0355217336239204,1.0357972250879508,1.0361583093774778,4.8,4.8,4.8,4.8,4.8,4.8,4.8,4.8,4.8,4.8,4.8,0.19,1.9177728345448186,1.9775009264555974,1.9904040841526365,1.9935710492717313,1.9943772016270886,1.994699692388404,1.9946426706746496,1.9948260887920262,1.994734258304016,1.9946138968741738,third
+276,8.15,91,7.61485410877372e+16,2.83,1.0402767116551463,47.8,Linear,Enzyme,0,0.4557732595239077,0.28283066124690853,8.53,5.500329515393374,5.217688530602401,5.1771997101927285,5.171094198246634,5.170166260218561,5.170025347134682,5.170003754029736,5.170000524701484,5.170000251057891,5.17000005517441,3.36,0.3303295153933732,0.047688530602399665,0.007199710192727638,0.0010941982466333257,0.00016626021856141804,2.5347134682402634e-05,3.7540297365557767e-06,5.247014842141108e-07,2.510578908694899e-07,5.517441047228407e-08,2.62,5.649670484606626,5.932311469397599,5.972800289807272,5.978905801753366,5.979833739781439,5.979974652865319,5.9799962459702645,5.979999475298516,5.9799997489421095,5.9799999448255905,second
+277,11.95,98,1.376987164161941e+17,2.42,0.883767540168595,134.3,Unknown,Acid,1,0.04551317135673207,0.03231371670156859,9.87,9.566449025194794,9.281221337980222,9.013195228659157,8.761333267471949,8.524682721634123,8.30233567342119,8.093428881223502,7.897143779546245,7.712706479009438,7.539387766347939,0.67,0.67,0.67,0.67,0.67,0.67,0.67,0.67,0.67,0.67,0.67,1.79,2.093550974805204,2.3787786620197764,2.6468047713408422,2.89866673252805,3.1353172783658763,3.357664326578808,3.566571118776496,3.762856220453754,3.947293520990561,4.120612233652059,first
+271,8.19,97,2.624767824432598e+17,2.2,0.7884573603642703,105.5,Branched,None,0,0.052708901636670816,0.027794146666548915,5.75,5.5125798795659895,5.2849629662013005,5.066743448806353,4.857531734569952,4.65695912687952,4.46467055510444,4.280324015227103,4.1035905698429085,3.93415434816026,3.7717125460005714,1.14,1.14,1.14,1.14,1.14,1.14,1.14,1.14,1.14,1.14,1.14,3.12,3.3574201204340106,3.585037033798699,3.803256551193647,4.012468265430048,4.21304087312048,4.40532944489556,4.589675984772897,4.766409430157092,4.93584565183974,5.098287453999429,first
+271,8.27,91,4.29234095715413e+16,1.3,0.26236426446749106,132.7,Linear,None,0,0.12359916836167507,0.10435963880907108,5.06,2.5399814960266744,1.6917078039092637,1.2697918086630169,1.0152372954652131,0.846373712862057,0.7248926929707182,0.6348599857847392,0.5642599892197341,0.5076253770067883,0.46133252404268466,3.08,3.08,3.08,3.08,3.08,3.08,3.08,3.08,3.08,3.08,3.08,4.42,5.680009251986663,6.104146098045368,6.315104095668491,6.442381352267393,6.526813143568971,6.58755365351464,6.6325700071076295,6.6678700053901325,6.6961873114966055,6.7193337379786575,second
+275,2.62,99,3.58262589614572e+17,4.83,1.5748464676644813,173.5,Branched,None,1,0.056111502187003254,0.029439010166582635,5.31,3.646186165925513,2.8185334799354367,2.3357168879167194,2.027203539316238,1.8187432693385313,1.67076418408889,1.5651023087626332,1.4866908577207958,1.4276712718322317,1.38311953383559,2.23,2.23,2.23,2.23,2.23,2.23,2.23,2.23,2.23,2.23,2.23,0.86,1.6919069170372434,2.105733260032282,2.3471415560416404,2.501398230341881,2.6056283653307344,2.679617907955555,2.7324488456186837,2.7716545711396026,2.8011643640838844,2.8234402330822053,second
+277,7.22,94,3.274150719048183e+17,4.4,1.4816045409242156,42.7,Linear,None,0,0.6146444251496341,0.3909406040723409,1.32,0.8071294086788408,0.49363489508268366,0.3018020870572403,0.18483572272999835,0.11301290174640549,0.06920037279777289,0.042313800690146945,0.025908526170832488,0.015843195172396653,0.0097040453866996,3.08,3.08,3.08,3.08,3.08,3.08,3.08,3.08,3.08,3.08,3.08,3.75,4.2628705913211595,4.576365104917316,4.768197912942759,4.885164277270001,4.956987098253594,5.000799627202228,5.027686199309853,5.044091473829168,5.0541568048276035,5.060295954613301,first
+277,10.92,91,4.751584765621701e+16,4.27,1.451613827240533,20.7,Linear,Base,0,0.3281725983384263,0.2015812940890526,1.37,1.107461921329259,0.8449238426585179,0.5823857639877768,0.3198476853170359,0.0573096066462947,-0.20522847202444683,-0.46776655069518847,-0.7303046293659297,-0.9928427080366717,-1.255380786707413,3.21,3.21,3.21,3.21,3.21,3.21,3.21,3.21,3.21,3.21,3.21,1.82,2.082538078670741,2.3450761573414822,2.6076142360122234,2.870152314682964,3.1326903933537054,3.395228472024447,3.6577665506951886,3.92030462936593,4.182842708036672,4.445380786707413,zero
+280,12.7,90,5.720155793881818e+16,2.36,0.8586616190375187,189.3,Linear,Acid,0,0.9270341769833418,0.7725849164258548,4.85,4.108372658413326,3.366745316826653,2.6251179752399794,1.883490633653306,1.1418632920666316,0.4002359504799573,-0.3413913911067161,-1.0830187326933913,-1.8246460742800643,-2.56627341586674,1.09,1.09,1.09,1.09,1.09,1.09,1.09,1.09,1.09,1.09,1.09,3.81,4.5516273415866735,5.293254683173347,6.034882024760021,6.776509366346694,7.518136707933369,8.259764049520044,9.001391391106717,9.743018732693391,10.484646074280064,11.22627341586674,zero
+272,3.8,94,5.718058925666009e+16,3.28,1.1878434223960523,21.2,Linear,None,1,0.050689684871094105,0.031068992338785226,9.48,9.112924516520462,8.769069088862514,8.446937084399858,8.145202295891947,7.862603991903374,7.597941433075002,7.350073872123973,7.117920553843694,6.900460715103849,6.696733584850393,3.08,3.08,3.08,3.08,3.08,3.08,3.08,3.08,3.08,3.08,3.08,0.21,0.5770754834795395,0.9209309111374864,1.243062915600142,1.5447977041080534,1.8273960080966267,2.092058566924998,2.339926127876027,2.5720794461563057,2.789539284896151,2.9932664151496073,first
+280,2.0,93,3.111209279463807e+17,1.11,0.10436001532424286,122.3,Branched,Acid,0,1.389760753905607,1.0203529725752745,5.36,1.9693814724150356,1.9601303887049282,1.9600017824087508,1.9600004227172791,1.960002385007971,1.9600001387244421,1.9599987696678953,1.9600005179208078,1.9600040060090176,1.9600007505578292,1.7,0.004690736207517307,6.519435246364745e-05,8.912043748933574e-07,2.1135863910201736e-07,1.1925039850449675e-06,6.9362220582963e-08,-6.151660528551392e-07,2.5896040343000656e-07,2.0030045082396336e-06,3.7527891415916605e-07,0.93,2.625309263792483,2.6299348056475367,2.6299991087956256,2.6299997886413617,2.629998807496016,2.6299999306377804,2.6300006151660535,2.6299997410395974,2.6299979969954927,2.6299996247210866,third
+274,4.22,100,4.519351572965757e+16,2.03,0.7080357930536959,86.2,Ring,Acid,0,0.0038962819102524144,0.002810596173108937,5.96,5.746489221895271,5.547747614556101,5.362285140546393,5.188794684894812,5.026193348367927,4.873504000284691,4.729840412344999,4.5944072586296905,4.466500115600543,4.345505462100281,1.31,1.31,1.31,1.31,1.31,1.31,1.31,1.31,1.31,1.31,1.31,1.98,2.0867553890523647,2.1861261927219493,2.2788574297268034,2.365602657552594,2.4469033258160366,2.5232479998576545,2.5950797938275003,2.6627963706851547,2.7267499421997283,2.7872472689498595,second
+272,1.99,99,6.856393806415161e+16,2.31,0.8372475245337022,195.6,Unknown,Acid,1,0.006660954251597898,0.005344953328332538,6.97,4.390989553836645,3.481046871626345,2.9905151152092335,2.671209736879424,2.4491117881387146,2.281065064363241,2.1512376298062907,2.049020095143982,1.965395191934767,1.895446616042089,1.39,1.39,1.39,1.39,1.39,1.39,1.39,1.39,1.39,1.39,1.39,1.82,2.6796701487211187,2.982984376124552,3.1464949615969227,3.252930087706859,3.326962737287096,3.3829783118789205,3.426254123397904,3.4603266349520068,3.488201602688412,3.511517794652638,third
+271,4.83,100,4.5551103147897043e+17,1.25,0.22314355131420976,142.7,Ring,Enzyme,0,0.02415615680281139,0.018472623973724293,8.88,6.6120557696707705,5.266603594952209,4.379183372339168,3.745122450884207,3.272150635155578,2.907925376290208,2.6143179692895098,2.3743459817524655,2.17526976983193,2.006910109967675,4.35,4.35,4.35,4.35,4.35,4.35,4.35,4.35,4.35,4.35,4.35,1.31,2.4439721151646157,3.1166982025238963,3.560408313830417,3.877438774557897,4.113924682422212,4.296037311854897,4.4428410153552464,4.562827009123768,4.662365115084036,4.746544945016163,second
+280,5.49,90,3.2685729178681466e+17,2.11,0.7466879474879751,28.6,Unknown,None,1,5.297196289770391,4.6392472136386775,9.36,2.425213444526199,2.425544501447521,2.4251864010709454,2.4253281683145373,2.425303288817176,2.4251965573257905,2.425546598052832,2.425207315683742,2.4259035610137243,2.42593211062755,2.41,2.41,2.41,2.41,2.41,2.41,2.41,2.41,2.41,2.41,2.41,3.25,6.7173932777369005,6.71722774927624,6.717406799464528,6.717335915842732,6.717348355591412,6.717401721337105,6.717226700973585,6.717396342158129,6.7170482194931385,6.717033944686224,second
+275,11.94,100,3.845484200258956e+17,1.63,0.4885800148186709,34.6,Ring,None,1,0.03889112090619564,0.029521385870986586,8.98,5.799075245318333,4.340751268045038,3.5220393589927017,3.007253438298192,2.6643604752816494,2.4235833750989415,2.2488218062522156,2.1214694514834744,2.0254482801100737,1.9519689879394952,1.99,1.99,1.99,1.99,1.99,1.99,1.99,1.99,1.99,1.99,1.99,0.15,1.7404623773408345,2.469624365977482,2.87898032050365,3.136373280850905,3.307819762359176,3.4282083124505305,3.515589096873893,3.5792652742582636,3.627275859944964,3.6640155060302533,second
+280,1.22,94,2.933008699182537e+17,4.45,1.4929040961781488,177.4,Unknown,Acid,0,0.8526389055356406,0.4774972227067009,9.53,8.847888875571487,8.165777751142974,7.483666626714461,6.801555502285948,6.119444377857436,5.437333253428923,4.75522212900041,4.073111004571898,3.3909998801433847,2.708888755714873,2.71,2.71,2.71,2.71,2.71,2.71,2.71,2.71,2.71,2.71,2.71,1.96,2.6421111244285127,3.324222248857025,4.006333373285537,4.68844449771405,5.370555622142563,6.0526667465710755,6.734777870999588,7.4168889954281,8.099000119856614,8.781111244285125,zero
+280,2.33,94,1.3725207142792082e+17,4.55,1.5151272329628591,52.4,Ring,Base,1,0.3989979845522401,0.23928785828233765,1.06,1.12685823033774,1.150084750029488,1.1591672690039991,1.1626796977457894,1.1635755109057124,1.1641968573191914,1.164325638561345,1.1642206757597695,1.1643508719813567,1.1643687701821464,1.32,1.38685823033774,1.410084750029488,1.4191672690039991,1.4226796977457894,1.4235755109057124,1.4241968573191914,1.424325638561345,1.4242206757597695,1.4243508719813567,1.4243687701821464,2.87,2.8031417696622603,2.779915249970512,2.7708327309960015,2.7673203022542108,2.766424489094288,2.765803142680809,2.7656743614386556,2.765779324240231,2.765649128018644,2.7656312298178545,second
+278,2.28,93,3.9159558486862984e+16,1.28,0.2468600779315258,51.4,Ring,Enzyme,0,0.13122861291375348,0.10806039561407906,6.09,5.2571991259685795,4.832628886029189,4.594300721292185,4.453058594734302,4.3668184342502325,4.313187603006781,4.279387034000816,4.257959418983653,4.244322516797274,4.235587052389278,1.87,1.03719912596858,0.6126288860291895,0.3743007212921844,0.23305859473430182,0.14681843425023208,0.09318760300678075,0.05938703400081578,0.03795941898365274,0.024322516797273486,0.0155870523892773,0.87,1.7028008740314202,2.1273711139708107,2.3656992787078157,2.5069414052656986,2.593181565749768,2.6468123969932194,2.680612965999184,2.7020405810163473,2.7156774832027266,2.724412947610723,second
+271,3.5,100,4.975711661158735e+16,3.08,1.1249295969854831,194.1,Unknown,Enzyme,1,0.002638664330527339,0.0022051421718169953,2.64,2.5250978158849664,2.4224386799455857,2.330142475150222,2.246654540675927,2.1708650278971477,2.1018296890226673,2.038705975396372,1.9807530374972477,1.9273317249393829,1.8779045864719666,4.62,4.562548907942483,4.511219339972793,4.465071237575112,4.423327270337964,4.385432513948574,4.350914844511334,4.319352987698187,4.290376518748624,4.263665862469692,4.238952293235983,4.02,4.077451092057517,4.128780660027207,4.174928762424888,4.216672729662036,4.2545674860514255,4.2890851554886655,4.320647012301813,4.349623481251376,4.376334137530308,4.401047706764016,third
+280,5.84,97,2.6912156202882106e+17,4.15,1.423108334242607,60.0,Ring,Base,0,0.21563696902825938,0.17762369878005804,7.2,2.071715638262161,1.2107506127037615,0.8551603566931835,0.6603107891427993,0.5386023409950913,0.4540781661249978,0.393136479916866,0.3462845680919256,0.30934043869650896,0.2795312480599182,4.21,4.21,4.21,4.21,4.21,4.21,4.21,4.21,4.21,4.21,4.21,3.06,5.62414218086892,6.054624693648119,6.232419821653408,6.3298446054286,6.390698829502455,6.432960916937501,6.4634317600415665,6.486857715954038,6.505329780651746,6.520234375970041,second
+270,2.18,90,6.376063105026711e+16,3.76,1.324418957401803,116.4,Linear,None,1,0.24681814464320204,0.185927329824896,7.57,2.4123447647061305,2.3240849070692278,2.3186870533753003,2.3182653761754417,2.31735747716863,2.3175605978985807,2.318936419395255,2.3192768131039943,2.31772522558471,2.31839101041366,3.44,0.8611723823530649,0.8170424535346136,0.8143435266876499,0.8141326880877204,0.8136787385843144,0.8137802989492897,0.814468209697627,0.8146384065519967,0.8138626127923546,0.8141955052068297,3.18,5.7588276176469355,5.802957546465387,5.80565647331235,5.80586731191228,5.806321261415685,5.80621970105071,5.805531790302373,5.805361593448003,5.806137387207645,5.80580449479317,third
+273,3.13,90,3.492319856038404e+17,2.62,0.9631743177730056,89.0,Unknown,Acid,1,2.1002987699379894,1.3314376035597577,8.2,7.292086252710278,7.291998216658137,7.292466632818822,7.292611590785694,7.292421258729714,7.292098161210393,7.292035902496363,7.292554428905522,7.292572475285457,7.292657334523788,1.27,0.3620862527102788,0.3619982166581382,0.3624666328188233,0.36261159078569505,0.36242125872971537,0.3620981612103949,0.36203590249636486,0.36255442890552286,0.36257247528545844,0.36265733452379,3.26,4.16791374728972,4.168001783341861,4.167533367181176,4.167388409214304,4.167578741270284,4.167901838789605,4.167964097503635,4.167445571094476,4.167427524714541,4.16734266547621,second
+270,7.79,97,7.031071206909424e+16,1.73,0.5481214085096876,193.3,Branched,Enzyme,0,0.012038313651421273,0.006623906372919075,5.6,5.546327221556178,5.493168865838403,5.440520002408788,5.388375747566681,5.336731264764879,5.285581765207664,5.234922505034743,5.184748785208067,5.135055951511827,5.085839394552454,0.52,0.52,0.52,0.52,0.52,0.52,0.52,0.52,0.52,0.52,0.52,3.61,3.663672778443822,3.7168311341615974,3.769479997591211,3.8216242524333177,3.8732687352351203,3.924418234792336,3.975077494965256,4.025251214791932,4.074944048488172,4.124160605447545,first
+276,2.83,96,1.9655532193352915e+17,4.84,1.5769147207285403,140.8,Unknown,Acid,0,0.13312455658391237,0.09676146761967319,5.19,4.731953844579315,4.476340157606191,4.3247838025156735,4.231557407378794,4.173458556412334,4.136443464160439,4.112883361046716,4.097695665220281,4.087922023654885,4.081613851167216,1.12,0.6619538445793149,0.4063401576061911,0.2547838025156737,0.16155740737879434,0.10345855641233456,0.06644346416043931,0.04288336104671613,0.027695665220281405,0.017922023654885082,0.011613851167215444,1.32,1.7780461554206854,2.0336598423938095,2.1852161974843267,2.278442592621206,2.336541443587666,2.3735565358395614,2.3971166389532845,2.4123043347797193,2.4220779763451157,2.4283861488327854,second
+271,2.92,92,2.494095075391898e+17,0.52,-0.6539264674066639,80.5,Linear,Enzyme,0,0.4607651571638549,0.3610722997001703,3.15,0.8952379691346042,0.6052668013031283,0.47272927318725366,0.39316796701696277,0.33974855592100855,0.3002230470229902,0.26999516736814416,0.24607370944490653,0.22628759847702956,0.20970923649774809,1.94,0.8126189845673019,0.6676334006515641,0.6013646365936267,0.5615839835084813,0.5348742779605042,0.515111523511495,0.49999758368407204,0.48803685472245323,0.47814379923851474,0.46985461824887403,1.25,2.3773810154326975,2.522366599348436,2.5886353634063735,2.6284160164915185,2.6551257220394957,2.674888476488505,2.6900024163159277,2.7019631452775466,2.7118562007614853,2.720145381751126,third
+280,12.55,98,2.2130055073048355e+17,4.69,1.545432582458188,153.3,Ring,None,1,0.11539797694114368,0.07413303127235701,4.53,1.3490924529081936,1.015119022982628,0.9173114082788004,0.8833278873498087,0.870613919733773,0.8662416917343709,0.8642465565931492,0.8638417186676038,0.8634555951148737,0.8633646397441687,4.5,2.909546226454097,2.7425595114913146,2.6936557041394007,2.676663943674905,2.670306959866887,2.668120845867186,2.6671232782965753,2.6669208593338025,2.6667277975574373,2.666682319872085,1.26,2.8504537735459032,3.0174404885086856,3.0663442958605995,3.0833360563250953,3.0896930401331133,3.091879154132814,3.092876721703425,3.0930791406661977,3.093272202442563,3.093317680127915,third
+273,7.42,97,3.3849184643238624e+17,0.56,-0.579818495252942,71.0,Linear,Enzyme,0,0.09317880996272276,0.07524451220332484,4.3,4.2254569520298215,4.150913904059643,4.076370856089465,4.001827808119287,3.9272847601491083,3.85274171217893,3.7781986642087517,3.7036556162385734,3.6291125682683956,3.5545695202982173,4.1,4.1,4.1,4.1,4.1,4.1,4.1,4.1,4.1,4.1,4.1,1.2,1.274543047970178,1.3490860959403563,1.4236291439105346,1.4981721918807127,1.572715239850891,1.6472582878210693,1.7218013357912474,1.7963443837614257,1.8708874317316038,1.9454304797017818,zero
+279,3.34,99,1.6694143882115526e+17,1.14,0.131028262406404,150.2,Unknown,Base,0,0.04864323682416559,0.04369959916473426,3.75,1.8835801913386772,1.320642563879842,1.0326585161164181,0.8551196655746266,0.7316342423829884,0.641876279380592,0.5724598338669586,0.5169758993295754,0.4718878006172247,0.4343263561734735,4.01,3.0767900956693386,2.7953212819399207,2.6513292580582086,2.562559832787313,2.500817121191494,2.4559381396902955,2.421229916933479,2.3934879496647876,2.370943900308612,2.3521631780867365,3.15,4.083209904330661,4.364678718060079,4.508670741941791,4.597440167212687,4.6591828788085055,4.704061860309704,4.738770083066521,4.766512050335213,4.789056099691388,4.807836821913264,third
+280,13.22,92,3.208180788583859e+17,1.32,0.27763173659827955,86.2,Branched,Acid,0,2.202057601624085,1.6900510245912683,2.87,0.25924427789301346,0.1357136716278861,0.09191969076786993,0.0694713621568398,0.05591008429352563,0.04669225717915793,0.04014148454584376,0.035193293431723165,0.031311146678909496,0.028201540726057673,2.3,2.3,2.3,2.3,2.3,2.3,2.3,2.3,2.3,2.3,2.3,4.79,6.095377861053493,6.157143164186057,6.179040154616065,6.190264318921581,6.197044957853238,6.2016538714104215,6.204929257727079,6.207403353284139,6.209344426660546,6.210899229636972,second
+278,6.42,98,4.712780780740403e+17,3.65,1.2947271675944,168.2,Linear,None,1,0.18153573036136278,0.13119747021990086,8.18,6.715607985604057,6.308958852889292,6.177814855103467,6.133418954057574,6.1182374049018025,6.11309986894278,6.111107778932603,6.110618391932344,6.110306189260139,6.110278597741899,2.55,1.0856079856040586,0.6789588528892934,0.5478148551034676,0.5034189540575749,0.48823740490180373,0.4830998689427807,0.4811077789326042,0.48061839193234546,0.4803061892601404,0.4802785977419006,1.99,3.4543920143959412,3.8610411471107065,3.9921851448965318,4.036581045942425,4.051762595098197,4.056900131057219,4.058892221067396,4.059381608067655,4.05969381073986,4.0597214022581,second
+279,11.46,92,4.2350654800211866e+17,4.06,1.4011829736136412,35.4,Unknown,Enzyme,0,2.522971240357138,2.225285025837377,4.17,2.1516230077142886,0.1332460154285795,-1.8851309768571314,-3.903507969142842,-5.921884961428553,-7.940261953714265,-9.958638945999976,-11.977015938285692,-13.995392930571402,-16.013769922857122,1.15,1.15,1.15,1.15,1.15,1.15,1.15,1.15,1.15,1.15,1.15,3.27,5.288376992285711,7.3067539845714204,9.325130976857132,11.343507969142841,13.361884961428554,15.380261953714266,17.398638945999977,19.417015938285694,21.435392930571403,23.45376992285712,zero
+273,2.45,91,4.993709978016364e+17,1.41,0.34358970439007686,131.0,Branched,Enzyme,0,1.9330709426143309,1.3294915604993223,4.56,3.088612965580621,3.080074000695497,3.0800008507697854,3.079999813456736,3.080000968159688,3.0799996484108583,3.080000262268925,3.0800005549427465,3.079999659956783,3.080000746074854,1.48,0.008612965580621565,7.40006954972405e-05,8.507697853874417e-07,-1.8654326343228925e-07,9.681596881689591e-07,-3.5158914157145993e-07,2.622689254742192e-07,5.549427468546851e-07,-3.400432169810528e-07,7.460748540827833e-07,4.63,6.101387034419378,6.109925999304503,6.109999149230214,6.110000186543263,6.109999031840312,6.110000351589142,6.109999737731075,6.109999445057254,6.110000340043218,6.109999253925147,second
+280,2.21,92,4.290054096837289e+17,4.07,1.4036429994545037,171.7,Unknown,Acid,1,2.9446427299033635,1.6248125982743349,3.59,1.564566761936891,1.5624405281085851,1.5619217392471256,1.5621772516263925,1.5641568658382987,1.565105029862142,1.5631598983800807,1.5615791192738373,1.5611754962078848,1.562763134802583,1.75,1.75,1.75,1.75,1.75,1.75,1.75,1.75,1.75,1.75,1.75,3.41,4.422716619031555,4.423779735945708,4.424039130376438,4.423911374186805,4.422921567080851,4.422447485068929,4.42342005080996,4.424210440363082,4.424412251896058,4.423618432598709,second
+272,13.83,100,4.5692224325521946e+17,1.18,0.16551443847757333,53.5,Linear,Acid,0,0.028525741588426606,0.015730662083306465,9.09,9.067179406729258,9.044358813458517,9.021538220187775,8.998717626917035,8.975897033646293,8.953076440375552,8.93025584710481,8.90743525383407,8.884614660563328,8.861794067292587,1.96,1.96,1.96,1.96,1.96,1.96,1.96,1.96,1.96,1.96,1.96,4.21,4.232820593270741,4.2556411865414825,4.278461779812224,4.301282373082965,4.324102966353706,4.3469235596244475,4.369744152895189,4.39256474616593,4.415385339436671,4.438205932707413,zero
+275,3.22,96,1.0099501782696835e+17,1.24,0.2151113796169455,159.1,Ring,Acid,0,0.05874939547165813,0.05133241185291925,6.56,5.646584486386952,5.0342175740694515,4.598883438971209,4.2776997471605025,4.029789042733001,3.8360362023907846,3.682182067484124,3.557026808700567,3.4542281745325774,3.369193541373323,3.68,2.7665844863869524,2.1542175740694516,1.718883438971209,1.397699747160503,1.1497890427330015,0.9560362023907847,0.8021820674841245,0.677026808700567,0.5742281745325775,0.48919354137332327,1.99,2.9034155136130475,3.5157824259305483,3.951116561028791,4.272300252839496,4.520210957266999,4.713963797609215,4.867817932515876,4.992973191299432,5.095771825467422,5.180806458626677,second
+271,2.25,99,1.6648455587993066e+17,3.5,1.252762968495368,58.6,Unknown,Enzyme,1,0.013761241087227162,0.010432765570740932,8.53,5.74405425590525,4.7244056630497955,4.172772827223147,3.8187632327613286,3.5749439873119977,3.3944468490168958,3.258471621826565,3.1530698845775635,3.0684691225279503,3.0002926142948683,3.5,2.107027127952625,1.5972028315248976,1.3213864136115736,1.1443816163806642,1.0224719936559987,0.9322234245084478,0.8642358109132825,0.8115349422887815,0.7692345612639752,0.735146307147434,2.29,3.682972872047375,4.192797168475102,4.468613586388426,4.645618383619336,4.767528006344001,4.8577765754915525,4.925764189086717,4.978465057711218,5.020765438736025,5.054853692852566,third
+273,12.24,98,1.2710178871945192e+17,1.44,0.36464311358790924,102.5,Ring,Base,0,0.02252049966105183,0.014846051435091464,5.29,5.195546654529741,5.102779781073071,5.011669267298856,4.922185518191792,4.834299500112533,4.747982711167319,4.663207136319966,4.579945247391862,4.498170003061973,4.4178548488668365,1.66,1.66,1.66,1.66,1.66,1.66,1.66,1.66,1.66,1.66,1.66,4.41,4.504453345470259,4.597220218926929,4.688330732701144,4.777814481808208,4.865700499887467,4.95201728883268,5.036792863680034,5.120054752608138,5.201829996938027,5.282145151133164,first
+278,9.68,94,3.648441538103666e+17,2.94,1.0784095813505903,152.3,Linear,Base,1,0.7932260507082504,0.5851029774243546,6.2,5.778896870396402,5.778878647052178,5.778948621463044,5.778869185779085,5.778909026276703,5.778930771650165,5.778867116482774,5.778938380838631,5.778901686866164,5.778913203481348,0.23,0.01944843519820052,0.019439323526089045,0.0194743107315226,0.019434592889543505,0.019454513138352263,0.019465385825083562,0.0194335582413879,0.019469190419316766,0.01945084343308317,0.019456601740675348,0.67,0.8805515648017995,0.880560676473911,0.8805256892684775,0.8805654071104564,0.8805454868616476,0.8805346141749162,0.8805664417586117,0.8805308095806827,0.8805491565669163,0.8805433982593242,third
+276,5.65,98,2.2666919189594634e+17,1.57,0.45107561936021673,182.3,Linear,Enzyme,0,0.06421556505310433,0.03693074538562205,9.77,9.718627547957517,9.667255095915033,9.615882643872549,9.564510191830067,9.513137739787583,9.4617652877451,9.410392835702616,9.359020383660132,9.30764793161765,9.256275479575166,4.68,4.68,4.68,4.68,4.68,4.68,4.68,4.68,4.68,4.68,4.68,4.81,4.861372452042483,4.912744904084967,4.96411735612745,5.015489808169933,5.0668622602124165,5.118234712254901,5.169607164297384,5.220979616339867,5.27235206838235,5.323724520424834,zero
+276,8.97,99,9.23188038630168e+16,1.11,0.10436001532424286,103.3,Unknown,Enzyme,1,0.016915124689714994,0.008578357790898836,3.21,2.4239560618290725,2.0567970475763575,1.8378174948101755,1.6935472248721688,1.5945814865156909,1.5210045741286013,1.4659077699780292,1.4245219862716985,1.392322109381453,1.3665808913813102,2.15,2.15,2.15,2.15,2.15,2.15,2.15,2.15,2.15,2.15,2.15,3.31,3.572014646056976,3.694400984141214,3.767394168396608,3.815484258375944,3.848472837828103,3.872998475290466,3.89136407667399,3.9051593379094336,3.9158926302061823,3.92447303620623,third
+279,9.97,91,1.0338595337131765e+17,2.12,0.7514160886839212,197.1,Branched,None,1,0.9478538996589481,0.5686195913140772,1.78,1.624766984779114,1.5795945505971931,1.5656517247399855,1.561890401663726,1.5602244585232363,1.560270504603468,1.559651613927464,1.5598241520396883,1.5602294295162595,1.5599575323463517,4.49,4.49,4.49,4.49,4.49,4.49,4.49,4.49,4.49,4.49,4.49,2.38,2.535233015220886,2.580405449402807,2.5943482752600144,2.598109598336274,2.5997755414767636,2.599729495396532,2.6003483860725356,2.600175847960312,2.5997705704837406,2.6000424676536484,first
+279,9.65,97,2.930170687682713e+17,1.97,0.6780335427498971,185.6,Branched,Enzyme,1,0.20221185861093108,0.11797573003077334,9.58,7.350427084136811,7.350389272992289,7.350278720874096,7.350209643655087,7.350209144678164,7.350341376804596,7.350198718086377,7.350203338148287,7.350370342648026,7.350328608587512,1.17,0.05521354206840631,0.05519463649614524,0.05513936043704856,0.05510482182754419,0.05510457233908254,0.05517068840229845,0.05509935904318947,0.055101669074144065,0.05518517132401415,0.055164304293757106,3.99,5.104786457931594,5.104805363503855,5.104860639562952,5.104895178172456,5.104895427660918,5.104829311597703,5.104900640956811,5.104898330925856,5.104814828675986,5.104835695706243,third
+270,3.4,92,4.1031409626113504e+17,4.53,1.5107219394949427,98.4,Linear,None,0,0.6516339158603249,0.36494170125668024,9.72,9.198692867311738,8.67738573462348,8.156078601935219,7.634771469246959,7.1134643365587,6.592157203870439,6.0708500711821785,5.549542938493918,5.0282358058056555,4.506928673117394,4.97,4.97,4.97,4.97,4.97,4.97,4.97,4.97,4.97,4.97,4.97,0.01,0.53130713268826,1.0526142653765203,1.573921398064781,2.09522853075304,2.6165356634413,3.1378427961295605,3.659149928817821,4.180457061506082,4.701764194194343,5.2230713268826054,zero
+272,3.57,94,6.795295876153975e+16,4.7,1.547562508716013,36.4,Ring,Acid,1,0.06023921947043777,0.031025139291687733,7.93,1.96346039932367,1.5847657199787413,1.4673637126310122,1.422916275885584,1.4042376365835618,1.3972406703243005,1.3935335458336962,1.3925783188741403,1.3919407121351575,1.3915987367454954,1.96,1.96,1.96,1.96,1.96,1.96,1.96,1.96,1.96,1.96,1.96,3.05,5.038846533558775,5.1650780933404175,5.204212095789661,5.219027908038137,5.2252541211388115,5.227586443225231,5.2288221513887665,5.229140560375285,5.229353095954947,5.229467087751501,third
+275,13.97,96,4.039933048479541e+17,4.2,1.4350845252893227,91.8,Ring,Base,1,0.23500527991467807,0.1759239437672567,6.43,1.5834143365681816,1.4650547697854472,1.4537508461596322,1.452608058903101,1.4526621852356247,1.4528159158206375,1.4519503471302388,1.45392585192146,1.4527010293124263,1.4531391313140947,4.12,1.6967071682840908,1.6375273848927239,1.6318754230798163,1.6313040294515508,1.6313310926178126,1.631407957910319,1.63097517356512,1.6319629259607302,1.6313505146562135,1.6315695656570475,2.11,4.533292831715909,4.592472615107276,4.598124576920184,4.59869597054845,4.598668907382188,4.598592042089681,4.5990248264348805,4.5980370740392695,4.5986494853437865,4.598430434342952,third
+278,8.85,93,2.509386002347233e+17,2.81,1.0331844833456545,28.8,Branched,Enzyme,1,0.8409268568839687,0.5717451834040322,4.11,1.8707707458845328,1.8649393836717372,1.8635262312707783,1.866273971153504,1.86344591398369,1.864358526908854,1.8662489208313497,1.8631485315139054,1.8650606349348975,1.86526752913117,4.46,4.46,4.46,4.46,4.46,4.46,4.46,4.46,4.46,4.46,4.46,3.99,5.109614627057733,5.112530308164131,5.1132368843646105,5.111863014423247,5.113277043008155,5.112820736545572,5.111875539584325,5.113425734243047,5.112469682532551,5.112366235434416,second
+274,8.09,91,4.683267607636983e+17,3.81,1.3376291891386096,198.9,Ring,Base,0,2.098560707725553,1.245534641742282,9.68,1.8064720918792687,0.33750017417357436,0.0631508761723817,0.011802454869538532,0.00220357207661473,0.00041237355356125093,7.701550168662022e-05,1.4655658172936014e-05,2.9142142216727184e-06,5.699354287712286e-07,3.47,3.47,3.47,3.47,3.47,3.47,3.47,3.47,3.47,3.47,3.47,4.81,12.683527908120729,14.152499825826423,14.426849123827616,14.47819754513046,14.487796427923385,14.48958762644644,14.489922984498314,14.489985344341829,14.48999708578578,14.489999430064572,first
+272,6.77,98,4.5596082614711654e+17,3.85,1.3480731482996928,151.1,Linear,Base,1,0.06893095292650302,0.05549176494848747,3.07,2.585308330936338,2.332809810842809,2.1825725736407855,2.095348655513607,2.0413402412697272,2.009436571985424,1.9897056424873452,1.9768126886567872,1.969446783913364,1.9651080839559278,1.92,1.92,1.92,1.92,1.92,1.92,1.92,1.92,1.92,1.92,1.92,4.2,4.442345834531832,4.568595094578595,4.643713713179607,4.687325672243197,4.7143298793651365,4.730281714007288,4.740147178756327,4.746593655671606,4.750276608043317,4.752445958022036,second
+276,6.12,92,1.7336110474120848e+17,2.29,0.8285518175661483,196.6,Linear,Acid,0,0.6710828534897576,0.562193755029545,1.7,0.9937891099473265,0.5807387888099225,0.3396144169389733,0.1986308316418493,0.11609884414524613,0.06797726226356043,0.03970728357145642,0.023259327490798364,0.013583953944260563,0.007956721517269165,3.55,3.55,3.55,3.55,3.55,3.55,3.55,3.55,3.55,3.55,3.55,0.13,0.8362108900526735,1.2492612111900776,1.4903855830610266,1.6313691683581506,1.7139011558547539,1.7620227377364395,1.7902927164285436,1.8067406725092017,1.8164160460557395,1.822043278482731,first
+277,1.63,90,4.2685454203116064e+17,3.78,1.3297240096314962,97.3,Branched,Enzyme,0,4.551172113197323,2.9337304298117424,3.41,3.360000417271286,3.359999709317817,3.359999751968342,3.3600015589373164,3.3600001874281897,3.359999557153186,3.3600013721491613,3.360000693517247,3.3599996264742007,3.3600011635093363,0.05,4.172712855376738e-07,-2.906821826652588e-07,-2.480316583203657e-07,1.558937316455494e-06,1.8742818989815845e-07,-4.4284681401023873e-07,1.3721491610883261e-06,6.935172469968402e-07,-3.73525799383934e-07,1.163509336899651e-06,1.96,2.0099995827287147,2.0100002906821834,2.0100002480316586,2.009998441062684,2.009999812571811,2.0100004428468146,2.0099986278508393,2.0099993064827535,2.0100003735258,2.0099988364906642,second
+270,5.35,96,1.2266856802357294e+17,1.75,0.5596157879354227,174.2,Ring,Acid,0,0.03279035138556811,0.029376217495165148,6.95,5.094106827687189,4.021398732674782,3.3233109452756078,2.8297531689443924,2.464519385619809,2.1848849206955863,1.960219696431007,1.77739669833454,1.6262815655868674,1.4987711115293445,1.45,1.45,1.45,1.45,1.45,1.45,1.45,1.45,1.45,1.45,1.45,1.31,2.2379465861564056,2.7743006336626093,3.123344527362196,3.3701234155278037,3.5527403071900956,3.6925575396522072,3.804890151784497,3.89630165083273,3.9718592172065663,4.0356144442353274,second
+272,2.44,97,4.749548953406457e+17,1.76,0.5653138090500605,109.6,Unknown,Acid,1,0.11173395520062242,0.07935093339609293,6.55,6.17307101874681,5.849579422553191,5.571419969736659,5.3321287291604085,5.1271047938872485,4.951937351679212,4.80239000944304,4.674400793230179,4.564082148236781,4.468678731846075,1.37,1.37,1.37,1.37,1.37,1.37,1.37,1.37,1.37,1.37,1.37,2.82,3.1969289812531905,3.5204205774468096,3.798580030263342,4.037871270839592,4.242895206112752,4.418062648320788,4.56760999055696,4.695599206769821,4.805917851763219,4.901321268153926,first
+272,3.59,97,2.4710784071102237e+17,3.82,1.3402504226184837,170.2,Ring,Acid,0,0.058132544110162956,0.04405841657824918,6.72,3.0384026232045556,2.288644053187747,1.919695266818557,1.6914148102721578,1.5316646918925598,1.4129456037332044,1.318770442721311,1.2426587270424543,1.1797428153602008,1.1261799107506407,3.22,1.379201311602278,1.004322026593874,0.8198476334092788,0.7057074051360792,0.6258323459462802,0.5664728018666025,0.5193852213606558,0.4813293635212274,0.4498714076801007,0.4230899553753206,4.66,6.5007986883977225,6.875677973406126,7.060152366590722,7.174292594863921,7.25416765405372,7.313527198133398,7.360614778639345,7.398670636478773,7.4301285923199,7.45691004462468,third
+271,5.83,92,4.757042090974848e+17,1.01,0.009950330853168092,77.2,Branched,None,1,0.878827462637401,0.783779792274515,3.58,1.7078808650479291,1.7024651362087895,1.7024999943844874,1.7033981448676874,1.700421538181865,1.7045990815852001,1.7026768699346646,1.7008437449345717,1.7049166997434615,1.7026046821463978,2.39,2.39,2.39,2.39,2.39,2.39,2.39,2.39,2.39,2.39,2.39,2.31,3.2460595674760353,3.2487674318956055,3.2487500028077565,3.2483009275661567,3.249789230909068,3.2477004592074006,3.2486615650326685,3.2495781275327156,3.247541650128271,3.2486976589268024,second
+276,9.23,91,4.036620089758435e+17,2.03,0.7080357930536959,21.6,Unknown,Enzyme,1,2.416045625416671,1.2875278228601825,9.58,1.6524507521349507,1.652437762039442,1.6513129376218512,1.6506802551224282,1.652005225365126,1.6523553443117296,1.6534237077603398,1.6542680680829347,1.652403956548366,1.653451245955033,4.4,4.4,4.4,4.4,4.4,4.4,4.4,4.4,4.4,4.4,4.4,1.16,5.1237746239325235,5.123781118980277,5.124343531189073,5.124659872438784,5.123997387317434,5.123822327844133,5.123288146119828,5.122865965958529,5.123798021725812,5.1232743770224785,second
+279,2.11,93,4.2091038762806624e+17,4.46,1.4951487660319727,194.2,Ring,Base,1,1.629349007752254,1.1789842131441144,6.44,6.2783354100070525,6.278449750899569,6.278416419454856,6.278489224944479,6.278404954928011,6.278569775235755,6.27838356391308,6.278531747494064,6.27836595684991,6.2785169362209245,0.15,0.06916770500352573,0.06922487544978395,0.06920820972742714,0.06924461247223895,0.06920247746400532,0.06928488761787756,0.06919178195654016,0.06926587374703272,0.06918297842495504,0.06925846811046255,3.69,3.770832294996474,3.7707751245502155,3.7707917902725723,3.770755387527761,3.7707975225359944,3.7707151123821228,3.7708082180434603,3.770734126252968,3.770817021575045,3.770741531889538,third
+279,11.18,95,3.252742171275236e+17,2.0,0.6931471805599453,107.4,Branched,None,1,0.5316413220839642,0.3409530980898486,9.2,7.186799683816131,6.187767237498291,5.691226613866378,5.441608244148267,5.319944714589158,5.257132190412131,5.2281366564025635,5.21148231041432,5.204534818901263,5.201313794081849,3.67,3.67,3.67,3.67,3.67,3.67,3.67,3.67,3.67,3.67,3.67,4.1,6.1132003161838675,7.112232762501708,7.608773386133621,7.8583917558517316,7.980055285410841,8.042867809587868,8.071863343597435,8.088517689585679,8.095465181098735,8.09868620591815,first
+275,7.2,91,9.50689824524049e+16,3.82,1.3402504226184837,44.6,Unknown,Enzyme,0,0.4926033103625287,0.3303188558925687,2.41,0.6289870153307084,0.45243048313216166,0.371663291348923,0.3229962910883595,0.2892858422475985,0.2643740032120342,0.24514121509712966,0.22940305808186448,0.2163411132067335,0.20528287164005118,2.94,2.94,2.94,2.94,2.94,2.94,2.94,2.94,2.94,2.94,2.94,3.38,3.973670994889764,4.032523172289279,4.059445569550358,4.0756679029705465,4.0869047192508,4.095208665595988,4.101619594967623,4.106865647306044,4.111219628931088,4.114905709453315,third
+279,3.86,97,3.3836145829055475e+17,4.87,1.5830939370944985,82.2,Ring,None,0,0.2335041424407522,0.1988853009600079,1.42,0.7890454487138101,0.606119960970706,0.5102103802819027,0.44942056660914953,0.40569982151544637,0.37296480766821766,0.3471853615512957,0.3258657369463839,0.30805691406349545,0.2928794809656965,0.8,0.8,0.8,0.8,0.8,0.8,0.8,0.8,0.8,0.8,0.8,1.64,1.8503181837620633,1.911293346343098,1.9432632065726991,1.96352647779695,1.9781000594948512,1.9890117307772608,1.9976048794829013,2.004711421017872,2.010647695312168,2.015706839678101,third
+276,5.75,92,3.428388026504918e+17,2.61,0.959350221334602,74.3,Ring,None,0,1.3271329939501404,0.8667976656570401,2.7,1.6382936048398875,0.5765872096797753,-0.4851191854803374,-1.54682558064045,-2.608531975800562,-3.670238370960676,-4.731944766120789,-5.793651161280903,-6.85535755644102,-7.917063951601135,2.36,2.36,2.36,2.36,2.36,2.36,2.36,2.36,2.36,2.36,2.36,2.58,3.6417063951601127,4.7034127903202245,5.765119185480337,6.826825580640451,7.8885319758005625,8.950238370960676,10.01194476612079,11.073651161280903,12.13535755644102,13.197063951601136,zero
+277,7.24,90,2.821605418858408e+17,1.04,0.03922071315328133,130.3,Branched,None,0,3.0084280784851978,1.6793297250992987,4.93,0.2633802046790976,0.18635801067865274,0.15224598751370616,0.1317542960198909,0.11795133597135463,0.1076121663025699,0.09961975837170346,0.09324526470547184,0.08791759491022495,0.08338697111392146,4.67,4.67,4.67,4.67,4.67,4.67,4.67,4.67,4.67,4.67,4.67,2.81,4.365539931773633,4.391213996440448,4.402584670828763,4.4094152346600355,4.414016221342881,4.417462611232476,4.420126747209432,4.422251578431509,4.424027468363257,4.425537676295359,third
+270,7.78,92,3.9889951960985824e+17,3.88,1.355835153635182,57.4,Branched,Acid,0,0.6335060344423161,0.3365256733851268,3.12,0.7510116462273226,0.42704686074376785,0.29828966386008116,0.2292951225746953,0.18622495132384198,0.15674241163862393,0.13525866030864037,0.11911597023714099,0.10631040077573999,0.09596937113860525,0.2,0.2,0.2,0.2,0.2,0.2,0.2,0.2,0.2,0.2,0.2,0.49,1.6744941768863386,1.836476569628116,1.9008551680699595,1.9353524387126524,1.956887524338079,1.971628794180688,1.9823706698456798,1.9904420148814295,1.9968447996121301,2.0020153144306976,second
+277,12.61,96,3.6858624678189894e+17,4.02,1.3912819026309295,110.3,Ring,None,1,0.29033899489777976,0.25109389791980297,5.93,4.266117982815556,3.91244589136562,3.817555186776831,3.7906342688897454,3.782980270126718,3.780603911632791,3.7799054332373485,3.7797743289068526,3.779747918342,3.7796841284031117,2.83,1.166117982815556,0.812445891365619,0.7175551867768303,0.6906342688897448,0.6829802701267172,0.6806039116327905,0.6799054332373478,0.6797743289068515,0.6797479183419989,0.6796841284031107,0.82,2.483882017184444,2.8375541086343805,2.9324448132231695,2.959365731110255,2.9670197298732823,2.9693960883672093,2.970094566762652,2.970225671093148,2.9702520816580003,2.9703158715968887,second
+270,1.16,91,4.290375367507648e+16,3.63,1.2892326482767593,77.0,Branched,Acid,0,0.10637783572028814,0.05965566848090885,1.56,1.232730470660342,1.0187608117726923,0.8686227691242218,0.7570877984162856,0.6705034666903087,0.602125764009694,0.5465574825006299,0.5000513788846855,0.46083580195992385,0.42732309526276935,3.68,3.68,3.68,3.68,3.68,3.68,3.68,3.68,3.68,3.68,3.68,0.16,0.3236347646698292,0.43061959411365397,0.5056886154378892,0.5614561007918574,0.6047482666548458,0.6389371179951532,0.6667212587496852,0.6899743105576575,0.7095820990200383,0.7263384523686156,second
+276,2.49,96,2.745869257888357e+16,3.46,1.2412685890696329,108.4,Unknown,Acid,0,0.01859744237896559,0.011620879979588697,3.41,3.2804035174940074,3.161550172754081,3.0521050484409638,2.9510762521488147,2.8575891065255385,2.7708481294836727,2.6901370342003923,2.614818729117503,2.544335317941448,2.4782080996433042,2.67,2.540403517494007,2.4215501727540807,2.3121050484409635,2.2110762521488145,2.1175891065255383,2.0308481294836724,1.950137034200392,1.874818729117503,1.8043353179414479,1.738208099643304,0.19,0.3195964825059926,0.43844982724591924,0.5478949515590366,0.6489237478511855,0.7424108934744619,0.8291518705163274,0.9098629657996081,0.9851812708824972,1.055664682058552,1.121791900356696,second
+274,5.75,93,3.410207900372503e+16,3.02,1.1052568313867783,129.4,Unknown,Acid,0,0.06351333295638226,0.04618276291335814,6.49,6.168476303565459,5.862881429326026,5.572425295271772,5.2963515316350955,5.033954696231365,4.784562754366717,4.54753236029674,4.32224885722648,4.108126277310433,3.904607341652552,4.2,4.2,4.2,4.2,4.2,4.2,4.2,4.2,4.2,4.2,4.2,1.9,1.9,1.9,1.9,1.9,1.9,1.9,1.9,1.9,1.9,1.9,first
+276,12.8,94,4.9704648473640794e+17,1.37,0.3148107398400336,183.1,Unknown,None,1,0.8048147524022248,0.6013426283170125,5.04,3.473771721079243,2.964776993528164,2.7998277497857815,2.7460338692725696,2.7280010684428357,2.722931579024786,2.7205587694662667,2.720542557508177,2.72000359125837,2.7200055773548866,4.42,4.42,4.42,4.42,4.42,4.42,4.42,4.42,4.42,4.42,4.42,1.32,2.886228278920757,3.3952230064718365,3.560172250214219,3.6139661307274307,3.6319989315571646,3.6370684209752144,3.6394412305337336,3.6394574424918233,3.6399964087416303,3.6399944226451137,first
+275,5.36,97,1.3704204726399413e+17,0.84,-0.1743533871447778,22.4,Unknown,None,1,0.05147617683308367,0.03944591408708856,1.22,1.254874499816623,1.273407654764746,1.282629012536609,1.288103766594954,1.2905992771304262,1.2920920656319208,1.2930742531522001,1.2932510684502565,1.2931892379742913,1.2934229283961178,4.58,4.58,4.58,4.58,4.58,4.58,4.58,4.58,4.58,4.58,4.58,2.85,2.8383751667277926,2.8321974484117516,2.8291236624877976,2.827298744468349,2.8264669076231916,2.825969311456027,2.825641915615934,2.8255829771832484,2.825603587341903,2.8255256905346275,third
+275,5.93,90,4.006938457071733e+16,1.0,0.0,32.4,Branched,Enzyme,1,0.32153048698151626,0.1764114739938072,2.92,2.1860341310063727,1.9297477648954968,1.825823612214934,1.7805788253926753,1.7607193583432628,1.7518198066734907,1.7477306981654268,1.7458868739555273,1.7452010088097076,1.7447532908596055,1.97,1.236034131006373,0.9797477648954972,0.8758236122149343,0.8305788253926756,0.8107193583432631,0.8018198066734908,0.7977306981654272,0.7958868739555276,0.7952010088097078,0.7947532908596057,1.35,2.0839658689936273,2.340252235104503,2.444176387785066,2.4894211746073247,2.509280641656737,2.5181801933265096,2.522269301834573,2.5241131260444725,2.5247989911902926,2.5252467091403945,second
+271,5.47,94,2.9473888970653965e+17,4.15,1.423108334242607,29.8,Linear,Acid,0,0.22412724237439757,0.15991998744490912,4.78,4.600698206100482,4.421396412200964,4.242094618301445,4.062792824401928,3.8834910305024097,3.7041892366028915,3.524887442703373,3.345585648803855,3.166283854904336,2.9869820610048174,3.79,3.79,3.79,3.79,3.79,3.79,3.79,3.79,3.79,3.79,3.79,1.44,1.6193017938995182,1.7986035877990365,1.9779053816985543,2.1572071755980726,2.3365089694975905,2.515810763397109,2.6951125572966275,2.8744143511961457,3.053716145095664,3.2330179389951827,zero
+273,4.92,94,2.56292902660731e+17,1.88,0.6312717768418578,161.2,Branched,Base,0,0.2645655496040317,0.21137270619305737,5.79,0.879360022641433,0.6250413355828883,0.5113545461138224,0.44353280417396157,0.39669474692208195,0.3622884603377808,0.33571302367774747,0.31399391589877984,0.296017812513487,0.28081198218764214,1.56,1.56,1.56,1.56,1.56,1.56,1.56,1.56,1.56,1.56,1.56,1.87,3.506879992452855,3.591652888139037,3.6295484846287254,3.6521557319420124,3.667768417692639,3.679237179887406,3.688095658774084,3.695335361367073,3.7013273958288373,3.7063960059374526,third
+280,4.5,91,3.777880926116504e+17,1.58,0.4574248470388755,64.6,Unknown,None,0,3.9845302671352214,3.1691343579389626,1.31,0.06530245255581432,0.033996709186901744,0.02301638887189648,0.017419908256410058,0.013997226479753004,0.011715525812167542,0.010058225834072322,0.008824963890535881,0.007859714700278667,0.007079724295664965,2.85,2.227651226277907,2.2119983545934505,2.2065081944359477,2.203709954128205,2.2019986132398763,2.2008577629060833,2.2000291129170355,2.1994124819452674,2.1989298573501386,2.1985398621478316,4.11,4.732348773722093,4.74800164540655,4.753491805564052,4.756290045871796,4.7580013867601245,4.759142237093917,4.7599708870829645,4.760587518054733,4.761070142649861,4.7614601378521675,third
+276,8.1,94,2.0176649545771056e+17,2.82,1.0367368849500223,55.2,Branched,Base,1,0.32669912587949845,0.22970025951629944,4.81,1.7134178790523333,1.4084494448363076,1.352510632728627,1.3409784000692508,1.3384101575801481,1.3382280195223415,1.337803860338254,1.3382181697342173,1.3377032067883179,1.3383763258952235,3.67,3.67,3.67,3.67,3.67,3.67,3.67,3.67,3.67,3.67,3.67,0.81,2.358291060473833,2.510775277581846,2.5387446836356866,2.5445107999653747,2.545794921209926,2.5458859902388293,2.546098069830873,2.5458909151328912,2.546148396605841,2.5458118370523883,second
+275,4.25,98,2.8729429943976522e+17,1.47,0.3852624007906449,64.3,Branched,Acid,0,0.06968325824772173,0.05319295510938673,7.38,7.324253393401822,7.268506786803645,7.212760180205468,7.15701357360729,7.101266967009113,7.0455203604109355,6.989773753812758,6.9340271472145805,6.878280540616403,6.822533934018225,3.84,3.84,3.84,3.84,3.84,3.84,3.84,3.84,3.84,3.84,3.84,1.33,1.3857466065981776,1.441493213196355,1.4972398197945322,1.5529864263927098,1.608733032990887,1.6644796395890644,1.720226246187242,1.7759728527854193,1.8317194593835966,1.887466065981774,zero
+275,10.62,91,3.1602146837998176e+17,1.42,0.35065687161316933,124.2,Branched,Base,0,1.6374764666019441,0.8809744677273409,4.96,1.3402190054250358,0.36168258397496733,0.0978182323160823,0.026432535160771202,0.00713422242609799,0.0019298236981290266,0.0005216660415900482,0.00014074449786342287,3.795102534044169e-05,1.0451977037655891e-05,4.91,4.91,4.91,4.91,4.91,4.91,4.91,4.91,4.91,4.91,4.91,0.16,0.16,0.16,0.16,0.16,0.16,0.16,0.16,0.16,0.16,0.16,first
+275,5.89,97,3.708602818957155e+16,1.88,0.6312717768418578,143.4,Unknown,None,1,0.013930373803053118,0.008279069531463349,9.29,3.6202099023148278,2.713236926490693,2.3041147488582423,2.066807755563102,1.9152204987606358,1.8097561164151692,1.7358019178023847,1.6810083172304302,1.6395793070591886,1.6081951240484693,3.51,3.51,3.51,3.51,3.51,3.51,3.51,3.51,3.51,3.51,3.51,3.06,4.949930032561723,5.252254357836435,5.388628417047252,5.467730748145632,5.518259833746454,5.553414627861609,5.578066027399204,5.596330560923189,5.61014023098027,5.620601625317176,third
+271,9.57,92,2.8101141065205024e+17,2.44,0.8919980393051105,120.3,Ring,Base,1,0.5191472773891076,0.4318213907695762,7.52,5.83311403125621,5.045680267144884,4.678120872545146,4.506055947094557,4.425077195273158,4.3882798226265365,4.370025041995614,4.361964346204262,4.358673377881223,4.356549952269603,0.92,0.92,0.92,0.92,0.92,0.92,0.92,0.92,0.92,0.92,0.92,2.07,3.7568859687437888,4.544319732855116,4.911879127454854,5.0839440529054425,5.164922804726842,5.201720177373463,5.219974958004386,5.228035653795738,5.231326622118777,5.233450047730397,first
+276,6.77,93,4.907126751710131e+17,4.49,1.501852701754163,89.0,Linear,Enzyme,0,1.228539077826728,0.7355400273786741,2.39,0.6971640227241337,0.4015253198952619,0.2786319189666311,0.21120992766180657,0.16884369256932957,0.1396472015131409,0.11845889903626862,0.10220305905257984,0.08948182656501752,0.07923374899466576,2.43,0.7371640227241337,0.44152531989526195,0.3186319189666311,0.2512099276618066,0.2088436925693296,0.17964720151314092,0.15845889903626867,0.14220305905257988,0.12948182656501758,0.11923374899466582,4.92,6.612835977275866,6.908474680104738,7.031368081033369,7.098790072338193,7.14115630743067,7.170352798486858,7.19154110096373,7.207796940947419,7.220518173434981,7.230766251005333,second
+279,7.83,97,1.9645828055859974e+17,2.24,0.8064758658669485,150.4,Linear,Enzyme,0,0.13557638201165387,0.07465570643714879,4.88,4.771538894390677,4.663077788781354,4.554616683172031,4.446155577562708,4.337694471953385,4.2292333663440616,4.120772260734738,4.012311155125415,3.9038500495160924,3.7953889439067687,3.1,3.1,3.1,3.1,3.1,3.1,3.1,3.1,3.1,3.1,3.1,4.13,4.238461105609323,4.346922211218645,4.455383316827969,4.563844422437292,4.672305528046615,4.780766633655938,4.889227739265261,4.997688844874585,5.106149950483907,5.214611056093231,zero
+271,1.55,99,4.189268303999693e+17,4.89,1.5871923034867805,137.5,Unknown,None,0,0.03462755497392569,0.028226426091286953,2.64,2.3030933756159246,2.042547302170467,1.8341488897744482,1.6644253731350296,1.525189360690852,1.4088360337396097,1.3083027658806452,1.219873138558616,1.1426536055712115,1.0746247247042768,4.22,4.22,4.22,4.22,4.22,4.22,4.22,4.22,4.22,4.22,4.22,4.65,4.818453312192037,4.948726348914766,5.052925555112776,5.137787313432486,5.2074053196545735,5.265581983130195,5.315848617059678,5.360063430720692,5.398673197214395,5.432687637647862,second
+279,5.65,95,1.4096193274062227e+17,3.7,1.308332819650179,109.8,Branched,None,0,0.2303938779640644,0.14634264149741563,7.65,7.43269110741059,7.3786044999701925,7.364794911518486,7.3612342729011635,7.360318566375655,7.3600824822143744,7.360021470329419,7.3600056160227885,7.360001310316561,7.360000512918059,0.29,0.07269110741058903,0.018604499970192444,0.004794911518486264,0.001234272901162965,0.0003185663756551623,8.248221437452525e-05,2.1470329418689412e-05,5.616022788582111e-06,1.3103165615175954e-06,5.129180585432769e-07,2.61,2.8273088925894108,2.8813955000298073,2.8952050884815135,2.8987657270988367,2.8996814336243446,2.899917517785625,2.899978529670581,2.899994383977211,2.899998689683438,2.899999487081941,second
+277,9.27,91,2.524955309556051e+17,3.51,1.2556160374777743,180.7,Branched,None,1,1.7438837472091215,1.3091447476938827,7.23,5.108870451578436,4.922758078479669,4.907207705559772,4.905260858958189,4.902900110877519,4.909476707315297,4.904705284918446,4.903817128607887,4.907232308171902,4.906762226482708,2.27,2.27,2.27,2.27,2.27,2.27,2.27,2.27,2.27,2.27,2.27,4.21,6.331129548421565,6.5172419215203305,6.5327922944402275,6.53473914104181,6.53709988912248,6.530523292684703,6.5352947150815535,6.536182871392112,6.532767691828098,6.533237773517292,first
+279,2.81,91,3.541628012351563e+17,1.31,0.2700271372130602,183.5,Linear,Enzyme,0,3.247003885133312,2.707176948246844,5.62,0.41882264208893627,0.031236939660869902,0.0023349426755813673,0.00017405139872958374,1.2936871184402907e-05,1.1648073709952913e-06,2.0209924285973843e-07,2.828540408814893e-07,-1.269499450179618e-06,1.1115113646132464e-06,2.77,2.77,2.77,2.77,2.77,2.77,2.77,2.77,2.77,2.77,2.77,0.59,5.791177357911064,6.17876306033913,6.2076650573244185,6.209825948601271,6.209987063128817,6.20999883519263,6.209999797900759,6.20999971714596,6.210001269499451,6.209998888488636,first
+272,8.26,99,4.881837141426982e+17,4.91,1.5912739418064292,130.5,Linear,Base,0,0.047426817625865536,0.030763470973022025,1.13,1.0920585458993075,1.054117091798615,1.0161756376979225,0.9782341835972301,0.9402927294965376,0.9023512753958451,0.8644098212951528,0.8264683671944604,0.788526913093768,0.7505854589930756,1.83,1.83,1.83,1.83,1.83,1.83,1.83,1.83,1.83,1.83,1.83,3.74,3.7779414541006924,3.815882908201385,3.8538243623020776,3.8917658164027698,3.9297072705034624,3.9676487246041545,4.005590178704847,4.043531632805539,4.081473086906232,4.1194145410069245,zero
+273,2.72,91,3.1655387245430694e+17,1.02,0.01980262729617973,199.3,Unknown,Base,1,1.2253837233385654,0.8911324558776706,5.83,1.6369077273021504,1.6392961001448532,1.638244110235177,1.6364826412342905,1.6383475146620874,1.6390726247998735,1.636466921585928,1.6374970407972507,1.6395971844981148,1.6381337569175065,2.05,2.05,2.05,2.05,2.05,2.05,2.05,2.05,2.05,2.05,2.05,4.64,6.037697424232617,6.036901299951716,6.037251963254943,6.037839119588571,6.037217495112639,6.036975791733378,6.037844359471361,6.03750098640092,6.036800938500631,6.037288747694168,third
+270,10.76,92,2.3290412913806557e+17,2.79,1.0260415958332743,52.3,Ring,Enzyme,1,0.36988305074872946,0.26290040117713964,7.11,5.815342506036139,5.034667656619092,4.5648613716998305,4.281689223841738,4.1105187023241,4.00840989953562,3.9452244583845677,3.908619688532452,3.886274441482065,3.8724166759454084,1.8,1.8,1.8,1.8,1.8,1.8,1.8,1.8,1.8,1.8,1.8,2.16,3.454657493963862,4.235332343380908,4.70513862830017,4.988310776158263,5.159481297675901,5.261590100464382,5.324775541615433,5.361380311467549,5.383725558517937,5.397583324054593,first
+274,10.61,96,3.08609731781494e+17,3.77,1.3270750014599193,23.6,Unknown,Acid,1,0.1540142452183949,0.11419591857142082,6.59,5.057829929432146,5.021724399593742,5.020348451212627,5.020308290313445,5.020305680405656,5.020283459463149,5.020251165083478,5.020239361169759,5.020266904247237,5.020310718064113,0.81,0.04391496471607324,0.025862199796870815,0.025174225606313147,0.02515414515672268,0.025152840202827945,0.025141729731574865,0.025125582541738842,0.025119680584879872,0.02513345212361875,0.025155359032056953,0.07,0.8360850352839267,0.8541378002031292,0.8548257743936869,0.8548458548432774,0.8548471597971721,0.8548582702684252,0.8548744174582612,0.8548803194151202,0.8548665478763814,0.8548446409679432,third
+272,12.05,92,1.9467478381540573e+17,3.14,1.144222799920162,110.5,Branched,None,0,0.4179003866760612,0.28488229604213594,3.59,0.6938778725744793,0.4956440898538767,0.40586070720016393,0.35194378156399964,0.3151862512378137,0.28796990799134975,0.26657494325896197,0.2494883467144297,0.2354166450936503,0.22337006030045012,3.2,3.2,3.2,3.2,3.2,3.2,3.2,3.2,3.2,3.2,3.2,0.22,1.1853740424751733,1.2514519700487075,1.2813797642666118,1.2993520728119998,1.3116045829207286,1.3206766973362165,1.3278083522470123,1.3335038844285232,1.3381944516354496,1.3422099798998497,third
+270,12.73,99,1.600178360090656e+17,1.82,0.598836501088704,87.3,Unknown,Acid,1,0.011240233088453028,0.007257193567692364,1.67,1.6812453885343632,1.6916144121152912,1.7011662735592874,1.7099579161919134,1.718044201554949,1.7254753940285839,1.7322990597656913,1.7385606171586967,1.744303336839576,1.7495683416798569,0.82,0.8256226942671816,0.8308072060576456,0.8355831367796437,0.8399789580959567,0.8440221007774745,0.8477376970142918,0.8511495298828456,0.8542803085793483,0.857151668419788,0.8597841708399284,4.55,4.5443773057328185,4.539192793942354,4.534416863220356,4.530021041904043,4.525977899222526,4.522262302985708,4.518850470117155,4.515719691420652,4.512848331580212,4.510215829160072,third
+276,5.51,99,2.0014361779298627e+17,4.85,1.5789787049493917,118.4,Branched,Base,0,0.036671340064613284,0.01969200209199225,8.51,2.297747371361004,1.656349955682464,1.360474217599382,1.1827518801363033,1.0593040953654533,0.968980589184465,0.8977667575522996,0.8401239746582626,0.7925133146129286,0.7521453093646919,4.28,4.28,4.28,4.28,4.28,4.28,4.28,4.28,4.28,4.28,4.28,0.74,2.8107508762129982,3.0245500147725117,3.1231752608002057,3.1824160399545653,3.2235653015448484,3.2536731369385112,3.2774110808158996,3.2966253417805786,3.31249556179569,3.3259515635451025,third
+272,6.95,99,4.011434237584729e+17,4.86,1.5810384379124025,32.7,Ring,Enzyme,1,0.03897089445889896,0.027881121295074567,7.79,7.816447210630887,7.836702631579381,7.852180211480317,7.864032669993065,7.873075763736919,7.879948786799223,7.885206949238189,7.889228758407502,7.892282438730143,7.894606798887822,0.0,0.026447210630887383,0.046702631579381045,0.06218021148031799,0.07403266999306604,0.08307576373691958,0.08994878679922343,0.0952069492381892,0.0992287584075024,0.10228243873014341,0.10460679888782272,1.35,1.3235527893691126,1.3032973684206188,1.287819788519682,1.2759673300069339,1.2669242362630804,1.2600512132007764,1.2547930507618108,1.2507712415924976,1.2477175612698566,1.2453932011121773,second
+273,4.41,99,2.6190122044438416e+17,2.66,0.9783261227936078,149.1,Unknown,Enzyme,0,0.02986904199804946,0.02070359666382825,4.64,4.530440305502394,4.423467536211876,4.319020591723892,4.217039738902556,4.117466868414339,4.020245200984469,3.925319222146511,3.8326346822423636,3.742138596422259,3.653779244644764,2.45,2.45,2.45,2.45,2.45,2.45,2.45,2.45,2.45,2.45,2.45,2.25,2.359559694497606,2.4665324637881234,2.5709794082761075,2.6729602610974434,2.772533131585661,2.8697547990155305,2.9646807778534887,3.057365317757636,3.147861403577741,3.2362207553552356,first
+275,13.28,91,1.72483214802882e+17,2.77,1.0188473201992472,167.8,Ring,None,1,0.8937279058015357,0.4971575012906881,9.32,5.654942726240262,4.449911792635886,4.054390626973638,3.9248743332885296,3.8816582918498335,3.8669716180645324,3.8633315126316914,3.8607538670482144,3.8609011047109365,3.8608720119422815,2.44,2.44,2.44,2.44,2.44,2.44,2.44,2.44,2.44,2.44,2.44,1.48,5.145057273759739,6.350088207364115,6.745609373026363,6.875125666711471,6.918341708150167,6.933028381935468,6.936668487368309,6.939246132951786,6.939098895289064,6.939127988057718,first
+270,3.68,91,2.7982606497946637e+17,2.7,0.9932517730102834,182.9,Branched,None,0,0.6938155434155561,0.43524287970853703,5.51,4.954947565267554,4.39989513053511,3.8448426958026647,3.28979026107022,2.734737826337775,2.179685391605329,1.6246329568728841,1.0695805221404386,0.5145280874079927,-0.040524347324452314,0.33,0.33,0.33,0.33,0.33,0.33,0.33,0.33,0.33,0.33,0.33,2.74,3.2950524347324452,3.8501048694648903,4.405157304197335,4.96020973892978,5.515262173662225,6.070314608394671,6.625367043127116,7.180419477859561,7.735471912592008,8.290524347324453,zero
+274,2.05,100,4.620814041700602e+17,3.43,1.2325602611778486,98.5,Linear,Enzyme,0,0.039837560478844423,0.02400599861068939,7.66,5.152188096446906,3.8794917253166665,3.1110828636992873,2.5977311021311253,2.2304495886736118,1.9522532071418253,1.7376041848205515,1.5657056730289214,1.4236273043616392,1.3051967172873107,1.34,1.34,1.34,1.34,1.34,1.34,1.34,1.34,1.34,1.34,1.34,0.89,2.1439059517765466,2.7802541373416663,3.1644585681503563,3.421134448934437,3.604775205663194,3.743873396429087,3.8511979075897242,3.937147163485539,4.00818634781918,4.067401641356344,second
+275,5.56,96,3.216955072087734e+17,4.54,1.5129270120532565,75.0,Ring,Base,0,0.18713216731981436,0.1139492364971159,7.92,7.770294266144148,7.620588532288297,7.470882798432445,7.3211770645765935,7.171471330720742,7.02176559686489,6.872059863009039,6.722354129153188,6.572648395297336,6.422942661441485,3.94,3.94,3.94,3.94,3.94,3.94,3.94,3.94,3.94,3.94,3.94,1.28,1.4297057338558514,1.579411467711703,1.7291172015675542,1.8788229354234058,2.028528669279257,2.178234403135109,2.3279401369909603,2.477645870846812,2.627351604702663,2.7770573385585147,zero
+271,10.21,91,1.61073143554268e+17,2.3,0.8329091229351039,148.8,Branched,None,1,0.4638146593533379,0.36467475903157703,7.21,1.8555763585968672,1.7261661680184037,1.7192635252091049,1.7188796504304822,1.7183259166674318,1.7173489073045738,1.717748473286865,1.719203612243927,1.7207729550281998,1.7190749152769313,0.7,0.7,0.7,0.7,0.7,0.7,0.7,0.7,0.7,0.7,0.7,1.01,3.6872118207015667,3.751916915990798,3.7553682373954476,3.7555601747847587,3.755837041666284,3.7563255463477128,3.7561257633565672,3.7553981938780363,3.7546135224859003,3.7554625423615344,second
+279,3.72,94,4.0861126898856403e+17,2.41,0.8796267475025636,126.8,Linear,Base,0,1.0277964720449804,0.726573914858266,5.97,2.62156767034553,1.1536469640264317,0.5075235498370824,0.22336232600956146,0.09829330221618139,0.043224191336129286,0.01899644227997811,0.008351001752670045,0.003673365264822394,0.0016177388197781632,1.34,1.34,1.34,1.34,1.34,1.34,1.34,1.34,1.34,1.34,1.34,0.94,0.94,0.94,0.94,0.94,0.94,0.94,0.94,0.94,0.94,0.94,first
+275,9.51,95,3.0251575707151565e+17,1.07,0.06765864847381486,56.8,Branched,None,0,0.2725225589189967,0.16913553190381697,4.76,3.752746703150761,3.7215816533707007,3.720077764874724,3.720003721959351,3.720000600556027,3.720000507913459,3.7199977720561406,3.7199998816684214,3.719999858115104,3.7200002009640123,0.52,0.016373351575379985,0.000790826685350048,3.888243736154586e-05,1.8609796749665207e-06,3.002780127966262e-07,2.539567288906369e-07,-1.1139719302265534e-06,-5.9165789758337895e-08,-7.094244850725178e-08,1.0048200542951233e-07,3.44,3.94362664842462,3.9592091733146493,3.959961117562638,3.959998139020325,3.9599996997219873,3.9599997460432714,3.96000111397193,3.96000005916579,3.9600000709424488,3.959999899517995,third
+276,10.54,93,2.846592525779538e+17,2.72,1.000631880307906,44.1,Linear,Base,1,0.7126675819716487,0.6039190484798881,1.31,1.825783127787853,1.8314411255936818,1.83023033413673,1.832702530492184,1.8306665146987426,1.8304551243070464,1.8319896560221671,1.8307212279386116,1.8337665218788854,1.8309198925275096,3.41,3.41,3.41,3.41,3.41,3.41,3.41,3.41,3.41,3.41,3.41,4.22,3.962108436106074,3.9592794372031594,3.9598848329316354,3.958648734753908,3.959666742650629,3.959772437846477,3.9590051719889163,3.959639386030694,3.958116739060557,3.9595400537362453,second
+276,2.37,95,4.119717254010409e+16,0.65,-0.4307829160924542,101.3,Ring,Enzyme,1,0.04314232585769601,0.03332661105531869,1.68,1.5052260942984985,1.4139866703630957,1.358649792000989,1.3265804721890344,1.3068431836326915,1.2947882243720574,1.2879850955460483,1.2834535227315933,1.2806061252826237,1.2788959327682494,2.48,2.3926130471492493,2.3469933351815477,2.3193248960004946,2.3032902360945173,2.2934215918163456,2.287394112186029,2.2839925477730243,2.2817267613657966,2.2803030626413117,2.2794479663841245,4.6,4.68738695285075,4.7330066648184514,4.760675103999504,4.776709763905481,4.7865784081836535,4.79260588781397,4.796007452226974,4.798273238634202,4.7996969373586875,4.800552033615874,third
+271,8.85,97,2.5810746339079757e+17,2.43,0.8878912573524571,151.7,Unknown,Base,0,0.05183148304744665,0.030548807324921965,5.87,1.900224325458793,1.3810570683744734,1.1377574742138958,0.9898333040434645,0.8879675414564436,0.8124986269049471,0.752794318076409,0.7049064387948649,0.6654894594902658,0.6318313162368223,2.69,2.69,2.69,2.69,2.69,2.69,2.69,2.69,2.69,2.69,2.69,1.19,2.513258558180402,2.686314310541842,2.7674141752620343,2.8167222319855116,2.850677486181185,2.875833791031684,2.8957352273078634,2.9116978537350446,2.9248368468365777,2.9360562279210587,third
+270,9.87,99,3.895182873180641e+17,0.7,-0.35667494393873245,41.2,Unknown,None,0,0.0273611770466763,0.01783239999509319,3.51,3.3080766944593867,3.1307142761536766,2.973478512528866,2.833120103147608,2.707492882926939,2.594629392933701,2.492728056445937,2.4001531789528907,2.315434948155008,2.237269433963936,2.81,2.608076694459387,2.430714276153677,2.2734785125288663,2.1331201031476086,2.007492882926939,1.894629392933701,1.7927280564459371,1.700153178952891,1.6154349481550083,1.5372694339639361,2.03,2.231923305540613,2.409285723846323,2.5665214874711335,2.7068798968523913,2.8325071170730607,2.945370607066299,3.0472719435540627,3.139846821047109,3.2245650518449915,3.3027305660360637,second
+274,5.07,98,1.116138336691481e+17,1.67,0.5128236264286637,160.4,Unknown,Base,0,0.023151587986609667,0.015119528423619358,5.51,5.491478729610712,5.4729574592214245,5.454436188832136,5.435914918442848,5.417393648053561,5.398872377664273,5.3803511072749854,5.361829836885697,5.343308566496409,5.324787296107122,0.39,0.39,0.39,0.39,0.39,0.39,0.39,0.39,0.39,0.39,0.39,0.94,0.9585212703892877,0.9770425407785754,0.9955638111678632,1.014085081557151,1.0326063519464386,1.0511276223357264,1.069648892725014,1.088170163114302,1.1066914335035896,1.1252127038928774,zero
+276,12.65,93,2.9656557187876416e+17,1.08,0.0769610411361284,121.9,Unknown,None,0,0.7424760203394379,0.5596675954089497,6.8,3.7545171742964345,2.071865849299092,1.1447371294498954,0.6324948313680271,0.3490688422667466,0.19310625045646967,0.1065626500444871,0.05889081987898897,0.03255838482295192,0.017982803435211567,1.12,1.12,1.12,1.12,1.12,1.12,1.12,1.12,1.12,1.12,1.12,1.2,4.245482825703565,5.928134150700908,6.855262870550104,7.367505168631972,7.650931157733253,7.80689374954353,7.893437349955512,7.9411091801210105,7.967441615177048,7.9820171965647875,first
+279,13.75,96,4.054706041203763e+16,2.66,0.9783261227936078,139.2,Ring,None,0,0.043062651721019495,0.026639230175735423,6.35,4.420640630314776,3.3964801499396344,2.7548769408797313,2.3146750473728352,1.997905930459308,1.757884248109349,1.5674199380619538,1.4150169790217404,1.2905992640426178,1.1858100861453502,4.21,4.21,4.21,4.21,4.21,4.21,4.21,4.21,4.21,4.21,4.21,2.15,3.1146796848426117,3.6267599250301825,3.947561529560134,4.167662476313582,4.326047034770346,4.446057875945325,4.541290030969022,4.617491510489129,4.679700367978691,4.732094956927325,second
+271,5.42,100,2.849885816727973e+16,1.22,0.19885085874516517,105.3,Linear,Enzyme,1,0.0015113199001014171,0.0008984180479630067,5.77,5.765198954536449,5.760407155566519,5.755624585282136,5.750851225909453,5.746087059708832,5.7413320689748115,5.736586236036087,5.7318495432554,5.727121973029392,5.722403507788593,2.18,2.18,2.18,2.18,2.18,2.18,2.18,2.18,2.18,2.18,2.18,3.02,3.02480104546355,3.0295928444334805,3.0343754147178634,3.0391487740905463,3.0439129402911673,3.0486679310251885,3.053413763963913,3.0581504567445994,3.062878026970608,3.0675964922114063,first
+273,8.25,100,4.285550060477786e+17,4.67,1.541159071680806,159.6,Branched,None,0,0.03145920588744487,0.016772533350815775,1.94,1.914832635290044,1.8896652705800883,1.8644979058701323,1.8393305411601764,1.8141631764502204,1.7889958117402645,1.7638284470303085,1.7386610823203528,1.7134937176103968,1.688326352900441,2.79,2.79,2.79,2.79,2.79,2.79,2.79,2.79,2.79,2.79,2.79,1.05,1.075167364709956,1.1003347294199117,1.1255020941298677,1.1506694588398236,1.1758368235497796,1.2010041882597355,1.2261715529696913,1.2513389176796472,1.2765062823896032,1.301673647099559,zero
+279,6.11,96,5.625362184359838e+16,3.53,1.2612978709452054,161.3,Linear,Enzyme,0,0.05974366824327516,0.05132649141692774,5.81,3.746205344243733,2.762590526879948,2.1867471961079454,1.8095184229686647,1.5444911886008983,1.3453364119841849,1.1930112205652046,1.071937684182251,0.9723069849461756,0.8896270191378253,4.38,4.38,4.38,4.38,4.38,4.38,4.38,4.38,4.38,4.38,4.38,2.89,3.9218973278781335,4.413704736560026,4.701626401946028,4.890240788515667,5.02275440569955,5.122331794007907,5.198494389717397,5.259031157908874,5.308846507526912,5.350186490431087,second
+276,6.73,97,1.3137196717562816e+17,1.35,0.30010459245033816,184.8,Unknown,Base,1,0.05754575503503608,0.047928802115142284,9.47,7.014980437573577,6.870598624376586,6.856011442049693,6.854506465825889,6.854343433306232,6.854320891650352,6.854245121187301,6.854391734372014,6.854291053416927,6.854335963870996,1.35,0.12249021878678817,0.05029931218829317,0.04300572102484662,0.04225323291294471,0.042171716653116156,0.04216044582517664,0.0421225605936507,0.04219586718600747,0.04214552670846355,0.042167981935498214,1.07,2.2975097812132117,2.369700687811707,2.3769942789751535,2.377746767087056,2.3778282833468842,2.377839554174824,2.3778774394063498,2.377804132813993,2.3778544732915368,2.377832018064502,third
+279,10.81,99,3.7623035123571405e+17,0.93,-0.07257069283483537,184.5,Branched,Acid,1,0.1096256400138243,0.07859242650784733,2.08,1.4900850658097118,1.2591586773193428,1.1445899389111824,1.0821482730500747,1.0460189632291963,1.0248167629296419,1.0116512126084247,1.004087764929473,0.9993253343622223,0.996305497207366,1.51,1.2150425329048558,1.0995793386596715,1.042294969455591,1.011074136525037,0.9930094816145979,0.9824083814648207,0.9758256063042121,0.9720438824647363,0.9696626671811108,0.9681527486036828,0.78,1.0749574670951443,1.1904206613403285,1.247705030544409,1.278925863474963,1.2969905183854022,1.3075916185351795,1.314174393695788,1.3179561175352639,1.320337332818889,1.321847251396317,third
+278,6.4,100,2.1873561414695824e+17,3.99,1.3837912309017721,40.8,Ring,Acid,1,0.03546516858477296,0.024240831674981908,7.83,5.547665171483258,4.385592767356595,3.690041056449156,3.239375583350422,2.9373493954329164,2.7238356637337775,2.5692051544172085,2.4575846415756346,2.3743632919131725,2.311289408159254,2.42,2.42,2.42,2.42,2.42,2.42,2.42,2.42,2.42,2.42,2.42,3.65,4.7911674142583704,5.372203616321701,5.719979471775421,5.945312208324788,6.096325302283541,6.20308216813311,6.280397422791395,6.3362076792121815,6.377818354043413,6.409355295920372,second
+270,5.28,93,3.399752897357322e+17,3.33,1.2029723039923526,85.3,Linear,Base,0,0.34583263877648424,0.22056958127229828,7.51,5.69480298147096,4.3184509227748835,3.2717986919617448,2.4805020128316126,1.8842369576497031,1.4295802629356806,1.083230820897415,0.8218645226850853,0.6241063157992227,0.4732696660327006,2.47,2.47,2.47,2.47,2.47,2.47,2.47,2.47,2.47,2.47,2.47,4.39,4.39,4.39,4.39,4.39,4.39,4.39,4.39,4.39,4.39,4.39,first
+278,8.9,96,3.6413936092481984e+17,0.97,-0.030459207484708574,92.5,Branched,None,1,0.3332382562786294,0.2977538699812361,5.49,2.297261398282701,2.1442383273767986,2.1314813275547375,2.1304088279405167,2.131222671807314,2.1283043637759955,2.1317211058428365,2.1322685289276957,2.1314466366194678,2.1306459994082547,2.65,2.65,2.65,2.65,2.65,2.65,2.65,2.65,2.65,2.65,2.65,3.4,4.99636930085865,5.072880836311601,5.0792593362226315,5.079795586029742,5.079388664096343,5.0808478181120025,5.079139447078583,5.078865735536153,5.079276681690267,5.079677000295873,second
+280,13.16,97,9.610050390714243e+16,4.6,1.5260563034950492,119.2,Branched,None,1,0.07700171338335693,0.05888777540651433,9.02,4.415864512990933,3.0984253210457546,2.5272152847289906,2.237188465322363,2.0800069463931745,1.9884656203433777,1.936401934335869,1.9046205357017045,1.8857891094945591,1.8749335760778107,4.51,4.51,4.51,4.51,4.51,4.51,4.51,4.51,4.51,4.51,4.51,0.93,3.2320677435045337,3.8907873394771233,4.176392357635505,4.321405767338819,4.399996526803412,4.445767189828311,4.471799032832066,4.487689732149148,4.49710544525272,4.5025332119610955,second
+270,1.23,93,4.97509037348978e+17,1.19,0.17395330712343798,97.8,Unknown,Enzyme,0,0.5060804958362894,0.2763942521604631,4.79,0.6374899319332449,0.45273327445994666,0.3702794273311655,0.32064557771076085,0.2871476455161846,0.2620695242655462,0.24262201859646754,0.22711641343492256,0.21418811593394416,0.20316639230253544,4.4,4.4,4.4,4.4,4.4,4.4,4.4,4.4,4.4,4.4,4.4,0.93,2.314170022688918,2.3757555751800177,2.403240190889611,2.419784807429746,2.430950784827938,2.4393101585781505,2.4457926604678435,2.4509611955216917,2.455270628022018,2.458944535899154,third
+279,11.91,95,2.772319927389629e+17,2.64,0.9707789171582248,175.9,Branched,None,1,0.4531191695588059,0.3781092419421941,7.35,1.5233275203972778,1.5218394571065088,1.5234691513033605,1.5226491048074646,1.5208075308664843,1.5242080649933707,1.5221225832992302,1.5221819334489648,1.5241075440912106,1.5240841025894607,4.26,4.26,4.26,4.26,4.26,4.26,4.26,4.26,4.26,4.26,4.26,2.29,4.232224159867572,4.232720180964495,4.232176949565544,4.23245029839751,4.233064156377837,4.231930645002207,4.23262580556692,4.232606022183676,4.231964151969594,4.231971965803511,third
+278,4.56,92,1.0631778300886232e+17,1.53,0.4252677354043441,148.2,Branched,None,1,0.5491586621970587,0.33450658458926225,8.0,1.7083210892119236,1.604499018935178,1.5996314709857358,1.5991561222113224,1.5982046648486683,1.5994597667829475,1.5999737803056238,1.6004330545372518,1.601293242228057,1.6005775969635188,3.91,3.91,3.91,3.91,3.91,3.91,3.91,3.91,3.91,3.91,3.91,1.0,4.1458394553940385,4.197750490532411,4.200184264507132,4.200421938894339,4.200897667575665,4.200270116608525,4.200013109847188,4.199783472731373,4.199353378885971,4.199711201518239,second
+278,8.96,100,2.0990161854659638e+17,3.53,1.2612978709452054,145.5,Unknown,None,1,0.0340328497350703,0.02663905198706304,2.85,2.6673009607026015,2.5458222902860506,2.46046713465932,2.3997020929651276,2.3555310053076646,2.3219714151432473,2.2968081123944533,2.278070492125167,2.2638451593714013,2.252717900823668,0.73,0.6386504803513006,0.5779111451430252,0.53523356732966,0.5048510464825638,0.4827655026538322,0.46598570757162366,0.4534040561972266,0.44403524606258343,0.4369225796857007,0.43135895041183425,2.27,2.3613495196486993,2.4220888548569746,2.46476643267034,2.495148953517436,2.517234497346168,2.534014292428376,2.546595943802773,2.5559647539374164,2.563077420314299,2.5686410495881655,third
+280,4.25,91,2.7586025390661354e+17,3.63,1.2892326482767593,136.7,Unknown,None,1,2.9094975534880367,2.4038049873737064,9.58,8.083755854112166,8.083746368298403,8.083727796841407,8.083713670528033,8.08371153998942,8.083756690535594,8.083741775382341,8.083698750475834,8.083693135061361,8.083748263548326,0.76,0.011877927056083492,0.01187318414920305,0.011863898420707083,0.011856835264020803,0.01185576999471308,0.011878345267802674,0.011870887691176429,0.011849375237923954,0.011846567530686148,0.011874131774171291,0.19,0.9381220729439167,0.9381268158507972,0.938136101579293,0.9381431647359788,0.9381442300052865,0.9381216547321969,0.9381291123088232,0.9381506247620761,0.9381534324693139,0.9381258682258284,third
+276,7.71,98,2.08330825284203e+17,2.65,0.9745596399981308,34.9,Unknown,Enzyme,1,0.05902029098751951,0.04035046191109584,8.47,3.257421159223598,2.6200277438157054,2.392867677710777,2.2943216643182764,2.2493440739177624,2.22693132202194,2.216760689184001,2.210964677161054,2.208736150797641,2.207506862384099,4.2,1.593710579611799,1.2750138719078525,1.1614338388553884,1.112160832159138,1.089672036958881,1.07846566101097,1.0733803445920003,1.0704823385805269,1.0693680753988204,1.0687534311920495,4.47,7.076289420388201,7.394986128092148,7.5085661611446115,7.557839167840862,7.5803279630411184,7.59153433898903,7.596619655407999,7.599517661419473,7.6006319246011795,7.601246568807951,third
+277,2.62,93,4.0378711499895245e+17,1.52,0.41871033485818504,80.8,Linear,Enzyme,1,1.1701923485984347,0.8427547300868822,1.22,1.14215951377546,1.1415773634765731,1.1417783693680805,1.141819380827547,1.141673812785535,1.1416934409311237,1.1420407851465788,1.1424479918333892,1.1425153249228908,1.1430620534971563,2.67,2.6310797568877295,2.630788681738286,2.63088918468404,2.6309096904137728,2.6308369063927675,2.6308467204655615,2.6310203925732885,2.6312239959166934,2.631257662461444,2.6315310267485774,4.73,4.7689202431122695,4.769211318261713,4.769110815315959,4.769090309586226,4.769163093607232,4.769153279534438,4.768979607426709,4.768776004083304,4.768742337538553,4.768468973251421,third
+277,8.27,98,1.2069652707261675e+17,2.82,1.0367368849500223,197.1,Unknown,Base,0,0.039893485297386684,0.03584827773444625,8.51,8.47808521176209,8.446170423524181,8.41425563528627,8.382340847048361,8.350426058810452,8.318511270572543,8.286596482334634,8.254681694096725,8.222766905858816,8.190852117620906,3.55,3.55,3.55,3.55,3.55,3.55,3.55,3.55,3.55,3.55,3.55,2.94,2.971914788237909,3.0038295764758187,3.035744364713728,3.067659152951637,3.0995739411895467,3.131488729427456,3.163403517665365,3.1953183059032746,3.2272330941411838,3.259147882379093,zero
+279,12.85,100,1.4106939968295835e+17,2.44,0.8919980393051105,102.2,Branched,Base,0,0.0267093573271498,0.014316769831036616,7.37,7.348632514138281,7.32726502827656,7.305897542414841,7.284530056553121,7.263162570691401,7.241795084829681,7.220427598967961,7.199060113106241,7.177692627244522,7.156325141382801,1.61,1.61,1.61,1.61,1.61,1.61,1.61,1.61,1.61,1.61,1.61,3.69,3.71136748586172,3.7327349717234393,3.754102457585159,3.775469943446879,3.7968374293085994,3.818204915170319,3.8395724010320387,3.8609398868937586,3.8823073727554784,3.9036748586171983,zero
+276,6.21,97,4.3276324717585715e+17,2.58,0.9477893989335261,38.8,Branched,Enzyme,0,0.189566224405055,0.12901372846022516,6.29,5.404910355171029,4.644241342530879,3.9897057174292057,3.4274769158948244,2.9453054806003585,2.531845732667005,2.1766557716645476,1.8705399783873062,1.607327852114792,1.3811621805219505,2.83,2.83,2.83,2.83,2.83,2.83,2.83,2.83,2.83,2.83,2.83,1.79,2.6750896448289714,3.4357586574691195,4.0902942825707935,4.652523084105175,5.134694519399641,5.548154267332994,5.903344228335452,6.209460021612693,6.4726721478852065,6.698837819478048,first
+272,10.56,91,2.7767289302485072e+17,3.99,1.3837912309017721,56.5,Unknown,None,1,0.927561278702317,0.6409227207931906,2.86,2.9241826214095914,2.9373451421125965,2.9435411384340857,2.9457985023808666,2.945712637864602,2.9463779613954406,2.9468860430600254,2.9450579822119227,2.9457492591303285,2.9459928568129214,2.52,2.52,2.52,2.52,2.52,2.52,2.52,2.52,2.52,2.52,2.52,4.35,4.285817378590409,4.272654857887403,4.266458861565914,4.264201497619133,4.2642873621353985,4.26362203860456,4.263113956939975,4.264942017788077,4.264250740869672,4.2640071431870785,first
+272,5.39,100,2.2002011509245462e+17,1.52,0.41871033485818504,54.4,Linear,Enzyme,0,0.013735897168563915,0.011479127400360497,8.6,7.232793096454117,6.241092916428397,5.485859476650087,4.898230471543143,4.428347739214959,4.036617014652119,3.7072615702979728,3.428412880206189,3.1892036137337927,2.980873957087878,0.21,0.21,0.21,0.21,0.21,0.21,0.21,0.21,0.21,0.21,0.21,3.52,4.203603451772941,4.699453541785801,5.077070261674956,5.370884764228428,5.60582613039252,5.801691492673941,5.966369214851014,6.105793559896906,6.2253981931331035,6.329563021456061,second
+279,5.51,96,3.88778756323275e+16,4.13,1.4182774069729414,101.6,Ring,Enzyme,1,0.041289908590044104,0.023202368909804635,4.46,4.1986787039830284,3.9896514930376936,3.819589724482185,3.68025319955894,3.5657515482656397,3.4707482953654356,3.3904627115914288,3.322055351190913,3.264056422901792,3.2146813074311096,2.24,1.9786787039830287,1.769651493037694,1.5995897244821855,1.4602531995589403,1.3457515482656401,1.2507482953654359,1.170462711591429,1.1020553511909132,1.0440564229017921,0.9946813074311098,1.99,2.2513212960169713,2.460348506962306,2.6304102755178147,2.7697468004410597,2.88424845173436,2.979251704634564,3.059537288408571,3.1279446488090867,3.185943577098208,3.23531869256889,second
+276,8.46,94,5.408024847262432e+16,1.84,0.6097655716208943,135.0,Linear,None,1,0.08756642109123405,0.048211203076497754,7.56,7.181225818315617,6.97319843089515,6.854664872484698,6.785954312218643,6.745947119716867,6.722280451318036,6.708394138686288,6.700176996685645,6.695263176458188,6.692428690563813,1.1,0.7212258183156169,0.5131984308951498,0.3946648724846989,0.32595431221864324,0.28594711971686715,0.2622804513180364,0.24839413868628946,0.24017699668564577,0.2352631764581889,0.232428690563813,1.9,2.278774181684383,2.48680156910485,2.6053351275153007,2.6740456877813568,2.7140528802831327,2.737719548681963,2.75160586131371,2.759823003314354,2.764736823541811,2.7675713094361867,second
+275,8.43,95,4.5695103796646285e+17,3.91,1.3635373739972745,42.0,Branched,Base,0,0.4116462143090051,0.244435564063978,4.74,1.1543773255666572,0.6563249732565936,0.45880229342445517,0.35294042221357763,0.2862847577041506,0.24126033208296743,0.20814200141402495,0.1830962552974713,0.1636026243078157,0.147726454574402,1.29,1.29,1.29,1.29,1.29,1.29,1.29,1.29,1.29,1.29,1.29,4.8,6.592811337216671,6.841837513371702,6.940598853287772,6.99352978889321,7.026857621147924,7.049369833958515,7.065928999292987,7.0784518723512635,7.088198687846091,7.096136772712798,second
+270,11.01,93,1.9756072102354093e+17,1.79,0.5822156198526637,77.8,Linear,None,1,0.20096444516089518,0.1672421841055266,9.38,3.1043113570953027,2.611559755462422,2.533616918528427,2.520236595922162,2.5173843363684223,2.516453173521863,2.517454061935573,2.514188894848253,2.5171350704463054,2.5194144997205776,2.17,2.17,2.17,2.17,2.17,2.17,2.17,2.17,2.17,2.17,2.17,4.18,7.317844321452348,7.564220122268789,7.603191540735787,7.609881702038919,7.611307831815789,7.611773413239068,7.611272969032213,7.612905552575873,7.611432464776847,7.610292750139711,second
+278,3.5,90,4.174509991846383e+17,2.12,0.7514160886839212,112.1,Branched,Base,0,5.122710116838267,4.603051944883796,7.17,7.080002017396467,7.08000031619055,7.079999730706227,7.079998982272151,7.080001321959057,7.080000983872758,7.079999994800075,7.079998880421434,7.079999787951679,7.080000574048165,0.09,2.0173964671637996e-06,3.1619055016592683e-07,-2.692937734678776e-07,-1.0177278491033064e-06,1.3219590578906647e-06,9.83872757244343e-07,-5.199925690240385e-09,-1.1195785670483896e-06,-2.1204832153683846e-07,5.74048164520396e-07,4.7,4.789997982603533,4.78999968380945,4.790000269293773,4.790001017727849,4.789998678040943,4.7899990161272425,4.790000005199925,4.790001119578566,4.790000212048321,4.7899994259518355,second
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+275,7.08,100,9.168584666957781e+16,3.18,1.1568811967920856,126.1,Ring,Acid,1,0.009272604339327011,0.0070322428627666205,5.77,5.762253153488016,5.754882636373598,5.747869335414084,5.7411951261060405,5.734843202781801,5.728797546501206,5.723042876631038,5.717564650845021,5.712349065123817,5.707383053755031,0.2,0.19225315348801622,0.18488263637359817,0.17786933541408342,0.17119512610603999,0.16484320278180026,0.15879754650120556,0.15304287663103802,0.14756465084502052,0.14234906512381662,0.13738305375503082,0.11,0.11774684651198378,0.12511736362640183,0.13213066458591657,0.13880487389396,0.14515679721819974,0.15120245349879444,0.15695712336896198,0.16243534915497948,0.16765093487618338,0.17261694624496918,second
+277,6.86,92,2.539593030409939e+16,4.56,1.5173226235262947,71.6,Unknown,Acid,1,0.11361834073796719,0.07647307556520402,9.51,8.801751931957984,8.19333984561103,7.669920176121618,7.22041831925928,6.835143282534579,6.5050666213025,6.221822438762443,5.97779822573504,5.767853021136172,5.587531394909655,4.69,4.69,4.69,4.69,4.69,4.69,4.69,4.69,4.69,4.69,4.69,1.65,2.3582480680420166,2.9666601543889692,3.490079823878382,3.9395816807407202,4.324856717465421,4.6549333786975,4.938177561237557,5.18220177426496,5.3921469788638285,5.572468605090346,first
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+272,9.38,94,2.4750170760821165e+17,1.94,0.6626879730752367,61.1,Linear,Acid,1,0.21940633573055837,0.13651158530713028,4.57,3.9004520212950453,3.3963834041019307,3.0175301207481473,2.733273387934304,2.5185416532920373,2.357064578539058,2.2363167310981016,2.1452482421933015,2.0765066397571235,2.0248366505284894,4.04,4.04,4.04,4.04,4.04,4.04,4.04,4.04,4.04,4.04,4.04,0.3,0.969547978704955,1.4736165958980698,1.8524698792518532,2.1367266120656967,2.3514583467079633,2.5129354214609427,2.633683268901899,2.724751757806699,2.793493360242877,2.845163349471511,first
+278,3.45,93,4.772437686496796e+17,2.58,0.9477893989335261,101.2,Linear,Acid,0,1.5993039809843568,1.4281939793751357,6.22,0.36923878057222936,0.19014356540399202,0.12806278813635275,0.09651103129776921,0.07753481887547437,0.06467508705142866,0.05555639490327846,0.04867439928280136,0.04328390899413902,0.03897006148082573,3.19,3.19,3.19,3.19,3.19,3.19,3.19,3.19,3.19,3.19,3.19,3.63,6.555380609713886,6.644928217298005,6.675968605931824,6.691744484351116,6.701232590562262,6.707662456474285,6.712221802548361,6.715662800358599,6.718358045502931,6.720514969259587,second
+271,2.94,100,4.3961620230127046e+17,2.75,1.0116009116784799,130.7,Linear,Base,0,0.023313239816314325,0.01975839996739473,8.27,8.117189041937964,7.967201686533005,7.819985744692528,7.675489964804051,7.533664153877606,7.394459013173877,7.257826116215465,7.123717908786882,6.992087708934561,6.862889706966849,3.39,3.39,3.39,3.39,3.39,3.39,3.39,3.39,3.39,3.39,3.39,2.32,2.4728109580620368,2.6227983134669954,2.770014255307472,2.9145100351959496,3.0563358461223937,3.195540986826122,3.3321738837845345,3.466282091213117,3.5979122910654384,3.7271102930331512,first
+272,12.15,96,1.727380774318617e+17,4.89,1.5871923034867805,46.1,Unknown,Acid,1,0.0632363710726448,0.03283688634531576,4.43,4.248674236300728,4.080762951182513,3.925255023084008,3.781227478584468,3.6478642164121826,3.5243927788869613,3.410083402353137,3.3042490171795644,3.2062452477596226,3.115470412511211,2.39,2.39,2.39,2.39,2.39,2.39,2.39,2.39,2.39,2.39,2.39,1.36,1.5413257636992714,1.7092370488174864,1.8647449769159916,2.0087725214155316,2.1421357835878165,2.2656072211130382,2.3799165976468624,2.4857509828204347,2.583754752240377,2.674529587488788,first
+276,7.21,100,1.3078615819085307e+17,1.35,0.30010459245033816,132.8,Unknown,Acid,1,0.015498299166805105,0.011925928974372267,2.88,2.7606076649402485,2.6575001768786977,2.5679698403692144,2.489692967696346,2.421185555582059,2.3612143830236594,2.3086260240426286,2.262346847684621,2.2213830180194667,2.1848204941411673,2.66,2.66,2.66,2.66,2.66,2.66,2.66,2.66,2.66,2.66,2.66,4.04,4.099696167529876,4.151249911560651,4.196015079815393,4.2351535161518274,4.2694072222089705,4.29939280848817,4.325686987978686,4.348826576157689,4.369308490990266,4.387589752929416,second
+278,2.31,95,1.962298523394345e+17,4.79,1.5665304114228238,72.5,Branched,Enzyme,0,0.2767919653529063,0.22195478789322762,8.03,2.493844295369994,2.225613946048754,2.150393038314456,2.124741181208286,2.115459814350994,2.112032999370878,2.11075839772771,2.110282908613737,2.110105394996211,2.1100398865889702,2.96,0.19192214768499677,0.0578069730243769,0.020196519157227626,0.007370590604142883,0.0027299071754969617,0.0010164996854388998,0.00037919886385471,0.0001414543068680885,5.2697498105387984e-05,1.9943294484666167e-05,2.83,5.598077852315003,5.732193026975624,5.769803480842774,5.782629409395859,5.787270092824505,5.788983500314562,5.789620801136147,5.789858545693134,5.789947302501896,5.789980056705517,third
+274,3.38,92,1.3879999145901701e+17,2.86,1.0508216248317612,84.5,Branched,None,1,0.4009754138941889,0.200776333703708,9.83,7.995202327954817,7.903344594785248,7.897879805452776,7.897557572952105,7.897536920314193,7.897226994573565,7.897357765910514,7.897558208579136,7.89773048510262,7.89758794912415,2.27,0.43520232795481584,0.3433445947852472,0.3378798054527749,0.3375575729521039,0.3375369203141922,0.3372269945735627,0.33735776591051314,0.33755820857913466,0.3377304851026187,0.33758794912414736,3.39,5.2247976720451845,5.316655405214753,5.322120194547225,5.322442427047896,5.322463079685808,5.322773005426437,5.3226422340894874,5.322441791420865,5.322269514897381,5.322412050875852,second
+273,13.28,91,2.993729189915136e+16,1.03,0.02955880224154443,69.0,Ring,Acid,1,0.11588760525856724,0.0864339221791226,9.76,3.8775611975910973,2.844494986742439,2.5207955093921655,2.4030961961761657,2.3589120433167325,2.3407475717578645,2.334202388620896,2.331029201095881,2.330626598282973,2.3298978698324446,3.96,3.96,3.96,3.96,3.96,3.96,3.96,3.96,3.96,3.96,3.96,3.56,6.501219401204451,7.01775250662878,7.179602245303916,7.238451901911916,7.260543978341634,7.269626214121067,7.272898805689552,7.274485399452059,7.274686700858513,7.275051065083777,second
+271,9.63,91,3.693578563051055e+17,4.18,1.430311246536665,27.0,Branched,None,0,1.0635763636407423,0.5708308143954706,8.39,4.393099777341985,4.341313275227782,4.340032717447564,4.340000712089302,4.340000222361756,4.3400006204197945,4.340000865282247,4.340000991848843,4.340000949223392,4.3400008738675435,4.05,0.05309977734198229,0.0013132752277801416,3.271744756197505e-05,7.120893001640629e-07,2.2236175458113871e-07,6.204197924646784e-07,8.652822439639326e-07,9.918488409387875e-07,9.492233905885023e-07,8.738675415310507e-07,2.3,6.296900222658016,6.348686724772219,6.349967282552437,6.349999287910699,6.349999777638245,6.349999379580207,6.349999134717755,6.349999008151158,6.349999050776609,6.349999126132458,second
+279,4.9,97,9.83903796907876e+16,4.71,1.5496879080283263,148.2,Linear,Base,0,0.06789946275260715,0.04441545358278968,1.65,0.963154228789614,0.6886601842891177,0.5388902487905501,0.4442808405911236,0.37823182769537816,0.3300417946717109,0.2925136652021948,0.2628430860045265,0.23893823021928856,0.21904540020145372,4.24,3.8965771143948076,3.7593300921445594,3.6844451243952756,3.6371404202955624,3.6041159138476897,3.580020897335856,3.561256832601098,3.546421543002264,3.534469115109645,3.5245227001007278,3.69,4.0334228856051935,4.170669907855441,4.245554875604725,4.292859579704438,4.3258840861523105,4.349979102664144,4.368743167398902,4.3835784569977365,4.395530884890356,4.405477299899274,third
+279,6.43,97,4.245260510215973e+17,1.15,0.13976194237515863,138.4,Unknown,Enzyme,0,0.29296655709065506,0.1831061115308683,7.08,0.8401776169553621,0.5048102175557975,0.36762282107929967,0.291067309161509,0.24159537447340307,0.2070179573649452,0.1814009071539632,0.1614008286440082,0.14551948322030894,0.13254685334057098,4.91,1.7900888084776811,1.622405108777899,1.55381141053965,1.5155336545807547,1.490797687236702,1.4735089786824729,1.4607004535769819,1.4507004143220044,1.4427597416101547,1.436273426670286,2.47,5.5899111915223205,5.757594891222102,5.826188589460352,5.864466345419247,5.8892023127633,5.906491021317529,5.91929954642302,5.929299585677998,5.937240258389847,5.943726573329716,third
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+274,4.31,95,3.5664562742556563e+17,0.9,-0.10536051565782628,36.0,Ring,Acid,1,0.2760784042908166,0.2153173881267692,6.55,1.538398744929822,1.530026527552808,1.5314142644401192,1.5294028781362845,1.5302722100757962,1.5308293597095353,1.5298204535455586,1.5313686761815166,1.5288804625759107,1.5313122477784924,4.27,4.27,4.27,4.27,4.27,4.27,4.27,4.27,4.27,4.27,4.27,2.92,4.590533751690059,4.593324490815731,4.592861911853295,4.593532373954573,4.593242596641403,4.593056880096824,4.593393182151483,4.592877107939497,4.593706512474699,4.592895917407171,third
+275,1.25,99,1.3040573674588328e+17,1.61,0.4762341789963717,106.5,Branched,None,0,0.020424297693171077,0.013311003493202576,5.23,5.145239096714796,5.06185188601738,4.979816104839953,4.899109840644136,4.819711550168268,4.741600051613061,4.664754493058222,4.5891543523089595,4.514779436895988,4.441609884075522,0.36,0.36,0.36,0.36,0.36,0.36,0.36,0.36,0.36,0.36,0.36,4.81,4.894760903285204,4.97814811398262,5.060183895160047,5.140890159355864,5.220288449831732,5.298399948386939,5.375245506941778,5.4508456476910405,5.525220563104012,5.598390115924478,first
+279,13.44,98,4.0139831894034496e+17,2.12,0.7514160886839212,67.5,Ring,Enzyme,1,0.1799954624418604,0.11266260414019298,3.55,2.1120178584140894,1.7520671122497355,1.6344218043356111,1.5929215711447233,1.5778460167913753,1.5717465621521574,1.5700841509382155,1.5689292061063573,1.568678067187173,1.5689124446800942,0.72,0.72,0.72,0.72,0.72,0.72,0.72,0.72,0.72,0.72,0.72,2.94,3.658991070792955,3.838966443875132,3.8977890978321943,3.9185392144276383,3.926076991604312,3.929126718923921,3.929957924530892,3.930535396946821,3.930660966406413,3.9305437776599526,second
+274,8.24,91,1.6706785721319338e+17,4.22,1.4398351280479205,158.1,Branched,Base,1,0.7486269631480925,0.5089703910057666,3.2,1.1372604168571605,1.1371820947306135,1.137735215682266,1.138021731906119,1.136491751048918,1.1359776437570777,1.1369487096637927,1.1377153606728532,1.1375000116163123,1.1371526433925552,3.3,2.2686302084285805,2.2685910473653066,2.268867607841133,2.2690108659530592,2.268245875524459,2.2679888218785385,2.268474354831896,2.2688576803364264,2.2687500058081564,2.2685763216962784,3.28,4.31136979157142,4.311408952634693,4.311132392158866,4.310989134046939,4.311754124475541,4.312011178121461,4.311525645168103,4.311142319663573,4.311249994191843,4.311423678303722,third
+278,3.22,96,1.3575123015763296e+17,1.11,0.10436001532424286,128.2,Linear,Acid,1,0.12423129186176671,0.09295657610553505,2.76,2.7786360911145227,2.7908627331841354,2.79885512798775,2.8043098701613545,2.8077710795388127,2.8097927567999093,2.8112006138683117,2.8122342150626083,2.812889100376091,2.8133082612759974,0.66,0.6786360911145229,0.6908627331841354,0.6988551279877502,0.7043098701613549,0.707771079538813,0.7097927567999096,0.7112006138683123,0.7122342150626089,0.7128891003760917,0.7133082612759979,2.74,2.7213639088854773,2.7091372668158646,2.70114487201225,2.6956901298386455,2.6922289204611873,2.6902072432000907,2.6887993861316883,2.6877657849373917,2.687110899623909,2.6866917387240026,second
+277,2.8,95,1.8518035960765805e+17,2.76,1.0152306797290584,152.5,Unknown,None,1,0.22518563587222146,0.16768389820672777,2.36,2.1632146333226188,2.0195589585539397,1.9141462539161185,1.837375582111222,1.782113499050594,1.7415141119753847,1.7112901000162732,1.6894307812649623,1.6738053350196502,1.662260314500724,4.61,4.61,4.61,4.61,4.61,4.61,4.61,4.61,4.61,4.61,4.61,1.46,1.656785366677381,1.80044104144606,1.9058537460838814,1.9826244178887777,2.037886500949406,2.0784858880246153,2.108709899983727,2.1305692187350376,2.14619466498035,2.1577396854992763,first
+280,1.55,96,6.379451497749567e+16,1.64,0.494696241836107,143.8,Ring,Acid,0,0.07854473654173669,0.05959675116202786,8.25,7.173063169283335,6.566125038556642,6.192323464359422,5.950902051457068,5.790593631682755,5.6817491339314445,5.606534731403806,5.554555562676804,5.517965824766277,5.492255163186305,2.82,1.7430631692833356,1.1361250385566417,0.7623234643594217,0.5209020514570678,0.36059363168275466,0.25174913393144366,0.1765347314038052,0.1245555626768037,0.08796582476627665,0.06225516318630386,4.87,5.946936830716664,6.553874961443357,6.927676535640577,7.169097948542931,7.329406368317244,7.438250866068555,7.513465268596193,7.565444437323195,7.602034175233722,7.627744836813695,second
+278,13.67,100,4.611378857220549e+16,3.78,1.3297240096314962,95.5,Linear,Enzyme,1,0.007476758150124895,0.004591740763527497,1.73,1.6945928889037953,1.6643767635419067,1.6384470164035654,1.616051610784978,1.5966362672010928,1.579815888093557,1.5652320979537722,1.5525517126776598,1.5414667395656632,1.5316943773227463,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.95,4.961802370365401,4.971874412152697,4.980517661198811,4.987982796405007,4.994454577599636,5.000061370635481,5.004922634015409,5.009149429107446,5.012844420144779,5.016101874225751,third
+270,13.26,96,3.2459755129821165e+17,2.05,0.7178397931503168,101.8,Unknown,Acid,1,0.08676768578498413,0.046353338461641504,3.66,2.645781798403593,2.188705573469022,1.94766264948031,1.811859412275737,1.7338288239440307,1.6862692931980046,1.6586269088019046,1.6411404364101987,1.6304599415230578,1.6240988820794358,1.47,1.47,1.47,1.47,1.47,1.47,1.47,1.47,1.47,1.47,1.47,3.85,4.357109100798204,4.585647213265489,4.706168675259844,4.774070293862131,4.813085588027985,4.836865353400998,4.850686545599047,4.8594297817949,4.86477002923847,4.867950558960282,second
+274,1.46,95,4.4590425583790534e+17,1.0,0.0,90.5,Ring,Acid,0,0.3451732643039503,0.1828348005823905,5.66,4.294277389890851,3.2574781109405624,2.470455073928261,1.875551007766243,1.4236117276828995,1.0793750848204549,0.8191961593684858,0.6222888762594926,0.4721352919689491,0.35822662295929364,1.5,1.5,1.5,1.5,1.5,1.5,1.5,1.5,1.5,1.5,1.5,1.5,2.8657226101091493,3.9025218890594378,4.689544926071739,5.284448992233758,5.736388272317101,6.080624915179546,6.340803840631515,6.537711123740508,6.687864708031052,6.801773377040707,first
+270,4.99,94,3.276253786454443e+17,1.97,0.6780335427498971,123.0,Branched,None,0,0.21346542621053347,0.10674525152991708,6.31,6.139227659031572,5.968455318063146,5.797682977094719,5.626910636126292,5.456138295157865,5.285365954189438,5.114593613221011,4.943821272252585,4.773048931284158,4.602276590315732,3.86,3.86,3.86,3.86,3.86,3.86,3.86,3.86,3.86,3.86,3.86,4.81,4.980772340968427,5.151544681936853,5.32231702290528,5.4930893638737075,5.663861704842134,5.834634045810561,6.005406386778988,6.1761787277474145,6.346951068715841,6.517723409684267,zero
+278,5.27,99,4.4232078348103725e+17,1.86,0.62057648772511,28.4,Linear,Acid,1,0.11054040455409185,0.06603943591231062,4.4,2.8447178799267325,2.32443837325516,2.111017366258032,2.014557374022622,1.9708573279100878,1.949125250998787,1.9397725052016146,1.934292018820546,1.9323035321706898,1.9313787372180038,0.01,0.01,0.01,0.01,0.01,0.01,0.01,0.01,0.01,0.01,0.01,5.0,5.7776410600366335,6.03778081337242,6.144491316870984,6.192721312988688,6.214571336044956,6.225437374500606,6.2301137473991925,6.232853990589726,6.233848233914655,6.234310631390998,second
+270,3.62,97,3.793497485870889e+16,4.86,1.5810384379124025,43.1,Branched,Enzyme,1,0.0064950718356990315,0.005811342702726209,1.42,1.416013532458651,1.4124006449914528,1.4091250942372053,1.4061539983217375,1.4034577187584263,1.40100977278798,1.398787041583187,1.3967684119712358,1.394934523944121,1.3932677706586432,2.41,2.41,2.41,2.41,2.41,2.41,2.41,2.41,2.41,2.41,2.41,2.9,2.9013288225137828,2.902533118336182,2.903624968587598,2.904615333892754,2.905514093747191,2.9063300757373396,2.907070986138937,2.9077438626762544,2.9083551586852927,2.9089107431137853,third
+277,2.03,93,4.76843975827392e+17,0.91,-0.09431067947124129,111.6,Ring,None,0,1.3819142594233567,0.7344700780218932,1.41,0.023491063110408723,0.000545986854052971,1.2668599906551745e-05,1.8888157971970038e-07,-8.262560444143676e-08,-2.3610156271656351e-07,2.3567271661022313e-07,8.068894466077607e-07,1.0926625379866063e-06,1.1540932377279554e-06,4.81,3.4234910631104083,3.4005459868540524,3.400012668599906,3.400000188881579,3.399999917374395,3.3999997638984367,3.400000235672716,3.400000806889446,3.4000010926625372,3.400001154093237,0.65,2.0365089368895912,2.059454013145947,2.0599873314000936,2.0599998111184203,2.0600000826256046,2.060000236101563,2.0599997643272836,2.0599991931105537,2.0599989073374623,2.0599988459067626,second
+271,9.51,99,3.818567977684457e+17,1.03,0.02955880224154443,28.3,Ring,None,0,0.0315634289746247,0.02279726652261514,8.24,8.034538814766565,7.834200727180086,7.638857950621748,7.44838571046041,7.262662846507171,7.081571117874923,6.904995054648958,6.732821957886957,6.564941899618997,6.401247722847555,3.89,3.89,3.89,3.89,3.89,3.89,3.89,3.89,3.89,3.89,3.89,4.18,4.385461185233435,4.585799272819913,4.781142049378251,4.971614289539589,5.157337153492828,5.338428882125076,5.515004945351041,5.687178042113042,5.855058100381002,6.018752277152444,first
+278,2.84,92,1.4612772132966627e+17,2.1,0.7419373447293773,196.7,Unknown,None,1,0.7547872207663976,0.596271254813247,7.7,4.074350177423118,4.074117913066351,4.074039466229656,4.073986132976547,4.074018039896336,4.074117443035408,4.0742688035191135,4.074891347856745,4.075195343066379,4.07456874342504,2.07,0.2571750887115589,0.25705895653317506,0.25701973311482784,0.25699306648827336,0.25700901994816777,0.2570587215177045,0.25713440175955715,0.2574456739283729,0.2575976715331896,0.2572843717125195,3.59,5.402824911288443,5.402941043466827,5.402980266885173,5.403006933511728,5.4029909800518325,5.402941278482296,5.402865598240443,5.402554326071629,5.4024023284668115,5.402715628287482,third
+279,2.22,90,3.046794254075629e+17,2.69,0.9895411936137477,126.7,Branched,Base,0,4.2988341072727865,3.227947728654591,5.8,3.039998427981385,3.040001376991369,3.039999827390461,3.039999646397099,3.040002196550296,3.0399991121038807,3.040001536516597,3.0399992269704486,3.039999936175203,3.0400012547512816,1.38,-7.860093071919749e-07,6.884956851539802e-07,-8.63047690249129e-08,-1.768014495568941e-07,1.098275148824137e-06,-4.4394805923368607e-07,7.682582990591431e-07,-3.8651477504868507e-07,-3.191239813001187e-08,6.273756410321081e-07,3.79,5.170000786009311,5.169999311504318,5.170000086304774,5.1700001768014525,5.169998901724855,5.170000443948063,5.169999231741705,5.170000386514779,5.1700000319124015,5.169999372624361,third
+274,6.05,98,1.1817622965410971e+17,4.91,1.5912739418064292,187.1,Linear,None,0,0.024512798179417594,0.013599426408609472,5.39,5.285330465024632,5.182693530321424,5.0820497245534915,4.9833603223987275,4.886587369114095,4.79169369111377,4.698642803891042,4.607398909687472,4.517926897492888,4.4301923430453884,3.04,3.04,3.04,3.04,3.04,3.04,3.04,3.04,3.04,3.04,3.04,2.73,2.73,2.73,2.73,2.73,2.73,2.73,2.73,2.73,2.73,2.73,first
+274,5.92,94,1.814168052017232e+17,2.02,0.7030975114131134,185.0,Linear,Enzyme,0,0.21782980589128442,0.1620282626103759,1.34,1.125698559285927,0.9456738743119711,0.7941506650583704,0.666678714635874,0.5598988992365239,0.4706365511717739,0.3958978980295459,0.3328716425709626,0.27963639641710036,0.23491655385090895,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,4.0,4.0,4.0,4.0,4.0,4.0,4.0,4.0,4.0,4.0,4.0,first
+271,3.36,100,3.2822409644117944e+16,4.97,1.6034198401085373,150.8,Unknown,None,1,0.0017406016961545878,0.001556591563456806,1.15,1.150811479746194,1.151620189131432,1.1524261357984156,1.153229327382318,1.1540297715107801,1.154827475803772,1.1556224478733403,1.1564146953235737,1.1572042257505406,1.1579910467422894,0.41,0.4108114797461942,0.411620189131432,0.4124261357984158,0.41322932738231816,0.4140297715107805,0.4148274758037722,0.4156224478733406,0.416414695323574,0.41720422575054084,0.41799104674228965,1.18,1.179188520253806,1.178379810868568,1.1775738642015843,1.1767706726176819,1.1759702284892197,1.1751725241962279,1.1743775521266595,1.1735853046764262,1.1727957742494592,1.1720089532577105,second
+280,2.73,93,3.1620853410653037e+17,4.0,1.3862943611198906,177.0,Unknown,None,1,1.41248682193123,0.7505509826812293,2.61,1.101883119371653,1.1035108692245457,1.1033164703937155,1.1021323008974337,1.1019308368595877,1.1021014687952715,1.102345109067288,1.1024351262866394,1.1028088227516124,1.1036754531348505,0.7,0.7,0.7,0.7,0.7,0.7,0.7,0.7,0.7,0.7,0.7,2.02,2.5227056268761157,2.522163043591818,2.522227843202095,2.5226225663675224,2.5226897210468047,2.52263284373491,2.522551630310905,2.5225216245711204,2.522397059082796,2.5221081822883833,third
+272,7.02,99,3.015070271322209e+17,4.92,1.5933085305042167,88.1,Ring,None,0,0.029291265510215124,0.017693738351427825,5.3,5.177248863874194,5.057340718460702,4.940209718108031,4.825791479977773,4.714023192861425,4.604843583474791,4.498192716553663,4.394011993480074,4.292244152282299,4.192833267634852,1.24,1.24,1.24,1.24,1.24,1.24,1.24,1.24,1.24,1.24,1.24,2.07,2.07,2.07,2.07,2.07,2.07,2.07,2.07,2.07,2.07,2.07,first
+271,12.17,100,5.909926294493207e+16,4.27,1.451613827240533,102.4,Ring,None,1,0.0031340866937802545,0.0024865440761806276,2.8,2.660859114564894,2.542572773781933,2.4405050700210023,2.3511371436840895,2.2725574636279386,2.2031921181546315,2.14158750672477,2.0864103399574763,2.036447639630394,1.9906067386796877,3.91,3.91,3.91,3.91,3.91,3.91,3.91,3.91,3.91,3.91,3.91,2.28,2.3263802951450354,2.3658090754060224,2.399831643326332,2.429620952105303,2.455814178790687,2.4789359606151224,2.499470831091743,2.517863220014174,2.534517453456535,2.5497977537734373,third
+276,7.4,96,2.5788221459509414e+17,0.61,-0.4942963218147801,190.4,Branched,Acid,1,0.17466052371992793,0.13337640771292503,1.37,0.8967876185223917,0.7604371862479296,0.7024080593445792,0.6747401222687368,0.6606963556642805,0.6534067530845215,0.6494688362423465,0.6476173735608561,0.6464521349906229,0.6458446195445886,3.99,3.99,3.99,3.99,3.99,3.99,3.99,3.99,3.99,3.99,3.99,0.11,0.2677374604925361,0.3131876045840235,0.3325306468851403,0.34175329257708775,0.34643454811190655,0.34886441563849285,0.3501770545858845,0.35079420881304796,0.35118262166979236,0.35138512681847045,third
+278,11.79,96,4.228956237925489e+17,4.21,1.43746264769429,117.3,Unknown,Acid,0,0.38700842419940323,0.2602257664674117,8.95,8.640393260640476,8.330786521280954,8.02117978192143,7.711573042561909,7.401966303202387,7.092359563842864,6.7827528244833415,6.473146085123819,6.1635393457642955,5.853932606404774,4.32,4.32,4.32,4.32,4.32,4.32,4.32,4.32,4.32,4.32,4.32,4.71,5.0196067393595225,5.329213478719045,5.638820218078568,5.94842695743809,6.258033696797613,6.567640436157136,6.877247175516658,7.18685391487618,7.496460654235703,7.8060673935952245,zero
+270,8.34,100,2.5641875519920093e+17,1.21,0.1906203596086497,44.2,Linear,Acid,0,0.011536872550457333,0.008882069743043803,1.97,1.9607705019596342,1.9515410039192682,1.9423115058789024,1.9330820078385365,1.9238525097981707,1.914623011757805,1.905393513717439,1.8961640156770732,1.8869345176367074,1.8777050195963414,3.48,3.48,3.48,3.48,3.48,3.48,3.48,3.48,3.48,3.48,3.48,4.47,4.4792294980403655,4.488458996080731,4.497688494121098,4.506917992161464,4.5161474902018295,4.525376988242195,4.534606486282561,4.543835984322928,4.5530654823632934,4.562294980403659,zero
+272,13.43,94,6.433243398093662e+16,4.99,1.6074359097634274,27.5,Ring,Base,1,0.05702968171326288,0.03951618857451692,2.22,1.5975120509812064,1.3994676337884961,1.315902611797888,1.2754442296417583,1.2562033214729527,1.245610036834781,1.2407777818466468,1.2380706517686746,1.2365576533777667,1.2358719252292618,0.48,0.48,0.48,0.48,0.48,0.48,0.48,0.48,0.48,0.48,0.48,2.39,2.5974959830062647,2.6635107887371685,2.691365796067371,2.7048519234527477,2.7112655595090165,2.7147966543884072,2.7164074060511187,2.717309782743776,2.7178141155407456,2.718042691590247,third
+271,1.2,91,5.588897981331346e+16,4.72,1.5518087995974639,33.2,Branched,Base,1,0.16093389352014476,0.08379802850313697,6.91,6.17874241063002,5.577336296618041,5.082069564663042,4.6755111703665335,4.342325060842667,4.068585953444415,3.842550469711694,3.6566330741611837,3.503955947860195,3.3784408099437115,0.39,0.39,0.39,0.39,0.39,0.39,0.39,0.39,0.39,0.39,0.39,1.26,1.99125758936998,2.5926637033819593,3.087930435336957,3.4944888296334664,3.827674939157333,4.101414046555585,4.327449530288306,4.513366925838816,4.666044052139805,4.791559190056288,first
+278,2.21,100,3.611521180314599e+17,3.45,1.2383742310432684,144.7,Ring,Base,0,0.058556174314294496,0.04684330435077844,2.96,1.594683534369977,1.2191551019256952,1.024082192807782,0.9004736073611649,0.812658255901444,0.7470932776865075,0.6946047106384308,0.6518106619324766,0.6162006151914583,0.5858242327675868,2.41,2.41,2.41,2.41,2.41,2.41,2.41,2.41,2.41,2.41,2.41,1.04,1.495105488543341,1.6202816326914349,1.6853059357307392,1.7265087975462783,1.7557805813661853,1.7776355741044976,1.795131763120523,1.8093964460225078,1.821266461602847,1.8313919224108044,third
+279,7.1,96,4.2012601081403475e+17,3.28,1.1878434223960523,112.1,Ring,Base,0,0.44619116401481385,0.2918227299302799,5.93,5.573047068788149,5.216094137576297,4.859141206364447,4.502188275152596,4.145235343940745,3.7882824127288934,3.4313294815170416,3.07437655030519,2.717423619093338,2.3604706878814863,3.21,3.21,3.21,3.21,3.21,3.21,3.21,3.21,3.21,3.21,3.21,3.51,3.866952931211851,4.2239058624237025,4.580858793635554,4.937811724847404,5.294764656059256,5.651717587271107,6.008670518482958,6.3656234496948105,6.722576380906663,7.079529312118514,zero
+273,12.45,100,4.5562646274086406e+17,4.41,1.4838746894587547,22.4,Linear,None,1,0.03344645727352686,0.01826340898899977,1.6,1.5883095275933956,1.5785897922488683,1.5705058599457962,1.563770412530239,1.5581308240383953,1.5534235564809598,1.5495160492677158,1.5462800287321783,1.5435915081315938,1.5413307876469409,1.77,1.77,1.77,1.77,1.77,1.77,1.77,1.77,1.77,1.77,1.77,4.25,4.255845236203302,4.260705103875566,4.264747070027102,4.268114793734881,4.270934587980803,4.273288221759521,4.275241975366143,4.276859985633911,4.278204245934203,4.27933460617653,second
+273,8.35,90,3.9963487733339386e+17,1.2,0.1823215567939546,80.1,Linear,None,0,2.403424302147931,1.2509332999864058,8.79,0.25370087832468474,0.12857403914415744,0.08613352868200036,0.0647724193415557,0.051925888296017436,0.043286272425498706,0.03713090255014426,0.03253195710980707,0.02891453287433856,0.026021711729879,2.25,2.25,2.25,2.25,2.25,2.25,2.25,2.25,2.25,2.25,2.25,3.95,8.218149560837658,8.28071298042792,8.301933235658998,8.31261379032922,8.31903705585199,8.323356863787248,8.326434548724926,8.328734021445095,8.33054273356283,8.331989144135058,second
+273,9.54,93,1.2780167965828378e+17,0.97,-0.030459207484708574,177.8,Ring,Enzyme,0,0.20496318540555056,0.13454270847439156,8.9,8.73602945167556,8.572058903351119,8.408088355026678,8.244117806702238,8.080147258377798,7.916176710053357,7.752206161728917,7.588235613404476,7.424265065080036,7.260294516755595,4.18,4.18,4.18,4.18,4.18,4.18,4.18,4.18,4.18,4.18,4.18,1.68,1.8439705483244404,2.0079410966488807,2.171911644973321,2.3358821932977616,2.499852741622202,2.6638232899466425,2.8277938382710834,2.9917643865955235,3.155734934919964,3.3197054832444044,zero
+278,12.48,92,2.1540420250642627e+17,3.06,1.1184149159642893,85.1,Unknown,Enzyme,0,1.1126180431188353,0.8131635274152215,6.64,2.725833305543931,1.12062480983765,0.4604752821522384,0.1892576583750115,0.07779850575840244,0.03198485818648803,0.013150715652039506,0.005407059855415813,0.0022230750993835905,0.0009133956644258223,0.69,0.69,0.69,0.69,0.69,0.69,0.69,0.69,0.69,0.69,0.69,0.04,0.04,0.04,0.04,0.04,0.04,0.04,0.04,0.04,0.04,0.04,first
+277,7.25,92,5.499595839983392e+16,4.2,1.4350845252893227,164.9,Ring,Base,1,0.24604530985323908,0.15339338540994638,4.17,1.723030199205506,1.272391372120032,1.1306284137088916,1.0792545982697834,1.059880264672714,1.0527887870819828,1.0495469568077331,1.048737131221098,1.0481947657456074,1.0479784306970628,0.23,0.23,0.23,0.23,0.23,0.23,0.23,0.23,0.23,0.23,0.23,0.2,1.423484900397247,1.648804313939984,1.719685793145554,1.745372700865108,1.755059867663643,1.7586056064590088,1.7602265215961332,1.760631434389451,1.7609026171271964,1.7610107846514687,second
+280,7.08,99,9.768914533988211e+16,3.67,1.3001916620664788,197.4,Unknown,Acid,0,0.03315148499805792,0.020644657379064756,2.2,2.0357309188600246,1.8914371200828581,1.7635322383536305,1.6493740206895193,1.547218597948914,1.4554684915703777,1.3726609864684836,1.2974681310338139,1.2286967371329605,1.1652883801085236,3.01,2.845730918860024,2.7014371200828577,2.5735322383536303,2.459374020689519,2.3572185979489135,2.265468491570377,2.182660986468483,2.1074681310338135,2.03869673713296,1.9752883801085233,1.73,1.8942690811399756,2.038562879917142,2.16646776164637,2.2806259793104813,2.3827814020510867,2.474531508429623,2.557339013531517,2.6325318689661867,2.7013032628670404,2.764711619891477,second
+275,7.36,95,1.1771379119862414e+17,0.63,-0.4620354595965587,71.2,Ring,Acid,1,0.10604295097898583,0.0606374408560327,9.58,7.4360749836428495,7.42558964819729,7.425473687758452,7.425466914808872,7.425639377451955,7.425423758912391,7.4256356934866785,7.425446055694823,7.425628398899543,7.425577809082772,1.13,0.05803749182142462,0.052794824098644715,0.05273684387922593,0.052733457404436086,0.05281968872597777,0.052711879456195106,0.0528178467433388,0.05272302784741107,0.052814199449771254,0.05278890454138582,4.01,5.081962508178575,5.087205175901355,5.087263156120774,5.087266542595564,5.087180311274022,5.087288120543804,5.087182153256661,5.087276972152589,5.087185800550229,5.087211095458613,third
+270,5.19,95,2.0606697536333898e+17,2.77,1.0188473201992472,175.7,Branched,Enzyme,1,0.08599828462517337,0.07093061417242659,9.31,3.1900428096122755,2.6861040681751347,2.5331019364023506,2.477162641845884,2.455510720930424,2.447478280318334,2.443674829995754,2.4426949123400465,2.442038288087853,2.4417629684314592,4.11,1.0500214048061376,0.7980520340875673,0.7215509682011751,0.6935813209229418,0.682755360465212,0.6787391401591669,0.6768374149978768,0.676347456170023,0.6760191440439262,0.6758814842157295,1.45,4.509978595193863,4.761947965912433,4.838449031798826,4.86641867907706,4.877244639534789,4.881260859840834,4.8831625850021245,4.883652543829978,4.883980855956074,4.884118515784271,third
+279,11.52,94,1.0759661631864835e+17,3.89,1.358409157630355,191.5,Ring,Acid,0,0.2706421262683756,0.15194618633608942,1.0,0.5958224836714169,0.43290560207560924,0.34285978886696744,0.28536567171228655,0.24476144871168543,0.21490872564025404,0.19153065871543984,0.1728727258906126,0.15770905323523532,0.14504439791379226,1.71,1.5079112418357086,1.4264528010378048,1.3814298944334837,1.3526828358561434,1.3323807243558428,1.3174543628201272,1.3057653293577198,1.2964363629453062,1.2888545266176177,1.282522198956896,4.59,4.792088758164292,4.8735471989621955,4.918570105566516,4.947317164143857,4.967619275644157,4.982545637179873,4.99423467064228,5.003563637054694,5.011145473382382,5.017477801043104,third
+277,11.94,93,5.682070475844869e+16,2.96,1.085189268335969,52.3,Ring,None,0,0.16466883533537177,0.10819608968259453,2.14,1.3731885604718372,1.011335092917057,0.7992459978081599,0.6603381879101975,0.5633401965309094,0.4903415963313354,0.43450046901595407,0.390327772479732,0.3539534282602608,0.32376155153413316,3.03,3.03,3.03,3.03,3.03,3.03,3.03,3.03,3.03,3.03,3.03,4.96,5.343405719764081,5.524332453541472,5.630377001095921,5.699830906044902,5.748329901734547,5.7848292018343335,5.812749765492024,5.834836113760135,5.85302328586987,5.8681192242329345,second
+274,12.41,98,1.3316319032920973e+17,2.06,0.7227059828014898,115.8,Ring,Acid,0,0.027621480385871953,0.019858802246942135,4.62,3.836595273526715,3.280386849438445,2.864127112915501,2.5444955806606306,2.2894126702916937,2.0785579844735484,1.9035906608730906,1.756732586965318,1.6313238315490375,1.5219462940491248,4.93,4.93,4.93,4.93,4.93,4.93,4.93,4.93,4.93,4.93,4.93,1.26,1.6517023632366425,1.9298065752807778,2.13793644354225,2.297752209669685,2.4252936648541534,2.5307210077632263,2.618204669563455,2.6916337065173415,2.7543380842254814,2.809026852975438,second
+275,4.12,92,1.9566698933078995e+17,2.25,0.8109302162163288,34.4,Ring,None,0,0.6546739154981444,0.5120810209215958,1.11,0.2624467605025688,0.15217463635123601,0.10757405082499648,0.08337662419866372,0.06805283293404382,0.05756270152594165,0.049818501770343915,0.04397541495082303,0.03936007248621524,0.03559747698812803,3.1,2.676223380251285,2.621087318175618,2.598787025412498,2.586688312099332,2.579026416467022,2.573781350762971,2.569909250885172,2.5669877074754117,2.5646800362431077,2.5627987384940645,4.62,5.043776619748716,5.098912681824382,5.121212974587501,5.133311687900668,5.140973583532978,5.14621864923703,5.1500907491148284,5.153012292524589,5.1553199637568925,5.157201261505936,third
+274,11.02,95,2.7526696629186038e+17,0.68,-0.3856624808119846,179.5,Unknown,Enzyme,1,0.213083405385901,0.13587415009568177,8.82,1.3793440556890986,1.32190891625179,1.3185088331045753,1.3183909842825625,1.317715761513837,1.317231492842264,1.3179996589139487,1.319170661605907,1.319345121272401,1.3183020891830182,0.7,0.7,0.7,0.7,0.7,0.7,0.7,0.7,0.7,0.7,0.7,1.09,3.570218648103634,3.5893636945827367,3.590497055631809,3.5905363385724796,3.5907614128287215,3.5909228357192458,3.590666780362018,3.590276446131365,3.5902182929092,3.590565970272328,third
+280,6.29,99,3.659115426521751e+16,2.09,0.7371640659767196,34.7,Ring,Enzyme,0,0.012417460481044324,0.009241292615137451,2.1,2.0158913578741937,1.9382612308726783,1.8663868544350237,1.7996376707627353,1.7375015454179765,1.6795281755728757,1.6253112797976368,1.5744885980605399,1.5267418917279412,1.4817969435642722,1.86,1.86,1.86,1.86,1.86,1.86,1.86,1.86,1.86,1.86,1.86,4.56,4.602054321062903,4.64086938456366,4.676806572782488,4.710181164618632,4.741249227291012,4.770235912213562,4.797344360101182,4.822755700969729,4.846629054136029,4.869101528217864,second
+273,11.85,96,8.248007368979229e+16,4.56,1.5173226235262947,57.2,Unknown,Acid,0,0.035274476409315574,0.025867875415905156,1.08,1.017950887159397,0.9626455371212084,0.9130291358769482,0.8682314320426181,0.8276402312651385,0.7907259583821858,0.7570144902265017,0.7260871556258937,0.6975807354032344,0.6711874623764629,4.07,4.07,4.07,4.07,4.07,4.07,4.07,4.07,4.07,4.07,4.07,4.74,4.7710245564203015,4.798677231439396,4.823485432061527,4.845884283978692,4.8661798843674315,4.884637020808908,4.90149275488675,4.916956422187054,4.931209632298383,4.944406268811769,second
+274,5.49,94,2.0033996232499053e+17,1.33,0.28517894223366247,41.9,Ring,Acid,0,0.24055111684386227,0.21591218118709474,9.7,8.001943054875632,6.600745166522698,5.443197220632207,4.489711616500658,3.705389379387287,3.058662325862781,2.5231114802166115,2.081223996087513,1.7171130963205623,1.4167675965403683,0.97,0.97,0.97,0.97,0.97,0.97,0.97,0.97,0.97,0.97,0.97,2.84,4.538056945124368,5.939254833477301,7.096802779367792,8.05028838349934,8.834610620612711,9.481337674137219,10.016888519783388,10.458776003912487,10.822886903679438,11.123232403459632,first
+270,8.02,95,2.930129506136252e+17,3.52,1.2584609896100056,178.1,Branched,Base,1,0.12228359775408948,0.09260409154693527,9.57,3.7315418878923174,2.746161943871637,2.4447096523831706,2.337617549077598,2.298471791662039,2.2834486426077,2.277485404239342,2.2753734948521434,2.274810636569891,2.274274745480486,2.83,2.83,2.83,2.83,2.83,2.83,2.83,2.83,2.83,2.83,2.83,3.18,6.099229056053841,6.591919028064181,6.742645173808414,6.7961912254612,6.81576410416898,6.82327567869615,6.826257297880328,6.827313252573927,6.827594681715054,6.827862627259756,second
+272,9.04,91,3.5995893077686355e+17,3.6,1.2809338454620642,152.5,Ring,Acid,0,1.2024363000454097,0.9696009317475608,9.66,7.770870080082605,7.77000071846747,7.7699995442685195,7.76999895231396,7.770000280433834,7.770001481125067,7.7699997042789635,7.769998734097264,7.7700003513131035,7.770000924270179,1.89,0.0008700800826034336,7.184674683330954e-07,-4.557314815333868e-07,-1.047686040566617e-06,2.8043383235772966e-07,1.4811250644438973e-06,-2.957210378825001e-07,-1.2659027372179747e-06,3.5131310233669635e-07,9.242701775058792e-07,4.03,5.919129919917397,5.919999281532532,5.920000455731483,5.920001047686042,5.919999719566168,5.9199985188749356,5.920000295721039,5.920001265902738,5.919999648686899,5.919999075729823,second
+277,11.0,92,4.918222088012385e+17,1.62,0.4824261492442928,118.3,Branched,Base,0,2.200353467384444,1.1379976780082164,9.31,6.820011220360709,6.820001343027149,6.81999930260869,6.820000673709554,6.8200001756635515,6.819999833366563,6.820001559036314,6.819999321294813,6.81999982416231,6.820000432963843,2.49,1.1220360709166272e-05,1.3430271485159167e-06,-6.973913091109763e-07,6.737095539510898e-07,1.7566355252697858e-07,-1.666334369692837e-07,1.5590363137636634e-06,-6.787051852806792e-07,-1.758376882675991e-07,4.3296384377125415e-07,4.33,6.819988779639291,6.819998656972851,6.82000069739131,6.819999326290446,6.819999824336449,6.820000166633438,6.819998440963687,6.8200006787051874,6.8200001758376905,6.819999567036158,second
+276,4.74,96,1.3650507679421322e+17,4.97,1.6034198401085373,85.3,Branched,Enzyme,0,0.09245324746703112,0.0800349200877777,9.18,3.8952474418877365,2.4728837540838815,1.8127926723278383,1.430779700076826,1.1812074817735734,1.0060318348884876,0.8767662895612311,0.7760128003267561,0.6962544680213799,0.6313918593054471,3.41,3.41,3.41,3.41,3.41,3.41,3.41,3.41,3.41,3.41,3.41,0.3,2.9423762790561323,3.6535581229580596,3.983603663836081,4.1746101499615875,4.299396259113213,4.386984082555756,4.451616855219385,4.501993599836622,4.54187276598931,4.574304070347276,second
+276,10.21,99,1.0706474837108563e+17,4.53,1.5107219394949427,39.9,Branched,Enzyme,0,0.019616952265294366,0.012542108277265901,9.37,9.354306438187763,9.338612876375528,9.322919314563292,9.307225752751057,9.291532190938822,9.275838629126586,9.260145067314351,9.244451505502115,9.22875794368988,9.213064381877643,3.23,3.23,3.23,3.23,3.23,3.23,3.23,3.23,3.23,3.23,3.23,2.42,2.4356935618122355,2.4513871236244706,2.4670806854367062,2.4827742472489422,2.4984678090611774,2.514161370873413,2.5298549326856485,2.545548494497884,2.5612420563101197,2.576935618122355,zero
+271,4.33,90,4.51514511703328e+16,2.28,0.8241754429663494,45.9,Unknown,Enzyme,0,0.20265053749865325,0.15987786728354264,4.53,2.52070511817067,1.7174682684127496,1.287339872093542,1.0187756037355977,0.8365175142281055,0.7037916422073276,0.6032089534688125,0.5250516482918975,0.46191186758894964,0.41001501060770207,4.83,2.82070511817067,2.0174682684127494,1.5873398720935419,1.3187756037355975,1.1365175142281054,1.0037916422073274,0.9032089534688124,0.8250516482918974,0.7619118675889495,0.7100150106077019,3.98,5.98929488182933,6.79253173158725,7.222660127906458,7.491224396264402,7.673482485771895,7.806208357792673,7.906791046531187,7.984948351708103,8.04808813241105,8.099984989392297,second
+274,8.33,97,2.1338839320900502e+17,2.94,1.0784095813505903,47.0,Linear,Acid,0,0.06865589143117479,0.05914805201045117,6.5,6.445075286855061,6.3901505737101205,6.33522586056518,6.280301147420241,6.225376434275301,6.1704517211303616,6.115527007985421,6.060602294840481,6.005677581695542,5.950752868550602,1.35,1.35,1.35,1.35,1.35,1.35,1.35,1.35,1.35,1.35,1.35,2.06,2.11492471314494,2.1698494262898795,2.2247741394348193,2.279698852579759,2.3346235657246988,2.389548278869639,2.4444729920145787,2.4993977051595184,2.5543224183044586,2.6092471314493983,zero
+279,5.09,98,8.103525001443176e+16,1.16,0.14842000511827322,76.6,Ring,Enzyme,0,0.03633791327015288,0.024039634304812377,8.02,6.44185152474246,6.10205844765567,5.996186084745585,5.9599292470292715,5.947124272310016,5.942553730854242,5.940916200752492,5.940328650853202,5.940117708463589,5.940042724269148,1.04,0.25092576237123065,0.0810292238278358,0.028093042372792892,0.009964623514636376,0.0035621361550084644,0.0012768654271217434,0.0004581003762462798,0.00016432542660144346,5.8854231794833344e-05,2.1362134574375647e-05,4.91,5.699074237628769,5.868970776172164,5.921906957627207,5.940035376485363,5.946437863844991,5.9487231345728775,5.949541899623753,5.949835674573398,5.9499411457682045,5.949978637865425,third
+273,12.87,97,2.2958632597712742e+17,1.39,0.3293037471426003,119.5,Unknown,Base,0,0.06319969258856474,0.03174891981070469,3.72,3.5365932501254442,3.3622290321125488,3.1964610022548587,3.0388617803470206,2.889032562352619,2.746593361568963,2.6111803508647853,2.4824458626802395,2.3600583890269062,2.243702581487786,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,3.25,3.25,3.25,3.25,3.25,3.25,3.25,3.25,3.25,3.25,3.25,first
+271,3.33,96,1.4196115294926709e+17,4.51,1.506297153514587,89.1,Unknown,Acid,1,0.04443419341983423,0.032740166228889415,9.12,7.99888021741078,7.273714777134457,6.779778247910603,6.431222703109384,6.176572475844521,5.989592228699587,5.849406160827277,5.742624639613986,5.661497535812661,5.599346626074578,4.52,3.3988802174107797,2.673714777134458,2.1797782479106034,1.831222703109385,1.5765724758445225,1.389592228699588,1.2494061608272784,1.1426246396139867,1.061497535812662,0.9993466260745794,1.99,3.11111978258922,3.8362852228655417,4.330221752089397,4.6787772968906145,4.933427524155477,5.120407771300411,5.260593839172722,5.367375360386013,5.448502464187338,5.510653373925421,second
+272,2.99,92,2.9633251449457456e+16,2.63,0.9669838461896731,65.6,Ring,Enzyme,0,0.06361248743411844,0.0546691695154463,9.46,8.990625212651656,8.544539085499222,8.120571541189664,7.7176330753113564,7.334694995441534,6.970770751703629,6.624915936767266,6.296228285848267,5.983847676708653,5.686956129656634,0.44,0.44,0.44,0.44,0.44,0.44,0.44,0.44,0.44,0.44,0.44,1.7,2.169374787348346,2.6154609145007788,3.039428458810338,3.4423669246886455,3.825305004558467,4.189229248296373,4.535084063232736,4.863771714151735,5.176152323291349,5.473043870343368,first
+275,4.58,90,7.031989230663564e+16,3.05,1.1151415906193203,162.3,Linear,Base,0,0.5642709380259286,0.35289962566777555,2.3,1.3045806022377668,0.9603723612474779,0.7892475017430713,0.6880663492218608,0.6222536941524541,0.5768554643130979,0.5441952501991303,0.5197991978522845,0.5014000924690519,0.487185541311401,1.87,0.8745806022377669,0.5303723612474782,0.3592475017430715,0.25806634922186106,0.19225369415245427,0.14685546431309798,0.11419525019913034,0.08979919785228453,0.07140009246905199,0.05718554131140114,4.83,5.825419397762234,6.169627638752523,6.340752498256929,6.4419336507781395,6.507746305847546,6.5531445356869025,6.585804749800871,6.610200802147716,6.6285999075309485,6.6428144586885995,second
+278,1.87,93,1.1510148213781387e+17,3.73,1.3164082336557241,135.7,Ring,Acid,0,0.3857195644922731,0.2737664436769298,2.08,1.7714243484061818,1.462848696812363,1.1542730452185448,0.8456973936247263,0.5371217420309078,0.22854609043708884,-0.08002956115672966,-0.3886052127505486,-0.6971808643443667,-1.0057565159381858,4.95,4.95,4.95,4.95,4.95,4.95,4.95,4.95,4.95,4.95,4.95,2.61,2.918575651593818,3.227151303187637,3.535726954781455,3.8443026063752734,4.152878257969093,4.461453909562911,4.770029561156729,5.078605212750548,5.387180864344367,5.695756515938186,zero
+273,1.78,93,2.5922989069972675e+17,2.06,0.7227059828014898,85.1,Ring,Acid,0,0.41574245575030505,0.3086391798117624,1.65,1.4957580214163777,1.4097261089696527,1.3583194352808423,1.3265487340264643,1.306545355544139,1.2937251676421764,1.285459263413535,1.2801002583834435,1.2765998384574138,1.2743262695971602,0.38,0.2257580214163777,0.13972610896965268,0.08831943528084224,0.056548734026464306,0.036545355544139124,0.023725167642176397,0.015459263413534916,0.010100258383443665,0.006599838457413849,0.0043262695971602,4.96,5.114241978583622,5.200273891030347,5.251680564719158,5.283451265973536,5.3034546444558615,5.316274832357824,5.324540736586465,5.329899741616557,5.333400161542587,5.33567373040284,second
+273,4.02,95,4.564118419579699e+16,4.93,1.5953389880545987,87.5,Linear,Enzyme,1,0.03032571352016274,0.022869913262494435,6.0,5.468274919188403,5.052038757251284,4.718691029005051,4.449242987334067,4.2289321059009195,4.045180815875135,3.8896583617343987,3.7582122747836872,3.646451605030857,3.550776339757883,4.37,3.8382749191884025,3.422038757251285,3.088691029005052,2.8192429873340674,2.59893210590092,2.415180815875136,2.259658361734399,2.1282122747836874,2.016451605030857,1.9207763397578832,1.75,2.281725080811598,2.6979612427487156,3.0313089709949486,3.300757012665933,3.5210678940990805,3.7048191841248648,3.8603416382656013,3.9917877252163128,4.103548394969143,4.199223660242117,second
+274,3.95,91,4.7860495210876416e+17,1.41,0.34358970439007686,120.2,Branched,Base,1,2.144617030597359,1.9158833570007598,2.95,1.4339934829810272,1.4336545727627894,1.4330081023122145,1.4324903406407101,1.4325994167642542,1.4326992730166015,1.4325488006437128,1.4322732904193813,1.4320924122290541,1.4335935873848102,3.54,3.54,3.54,3.54,3.54,3.54,3.54,3.54,3.54,3.54,3.54,2.79,3.295335505672992,3.2954484757457387,3.2956639658959306,3.295836553119766,3.295800194411918,3.2957669089944694,3.2958170664521003,3.295908903193545,3.2959691959236546,3.2954688042050697,third
+280,11.37,93,3.8193011121967936e+17,3.96,1.3762440252663892,170.4,Linear,Acid,0,1.7060616359417382,1.0773750890937654,1.17,0.00705897126848099,5.6725077105929954e-05,6.679554273808781e-07,-4.63034137326096e-07,6.412764838995264e-07,8.829466584560177e-08,-4.388692457544466e-08,3.187487657687696e-08,-3.2566981744124636e-07,1.6344087136623318e-06,4.71,3.5470589712684815,3.5400567250771062,3.540000667955428,3.5399995369658632,3.5400006412764844,3.5400000882946667,3.539999956113076,3.540000031874877,3.539999674330183,3.540001634408714,0.47,1.632941028731519,1.639943274922894,1.6399993320445723,1.6400004630341372,1.639999358723516,1.639999911705334,1.6400000438869244,1.6399999681251234,1.6400003256698175,1.6399983655912862,second
+280,7.07,94,6.734331585428457e+16,3.45,1.2383742310432684,40.1,Unknown,Acid,0,0.19577006757989374,0.15417614312832423,3.58,0.9934004510237151,0.7159645269200849,0.5888330276943278,0.5114500640879761,0.45862748981002205,0.4189597478904208,0.3883927331538238,0.3637537104289946,0.34305391949688524,0.3255264626798251,2.54,2.54,2.54,2.54,2.54,2.54,2.54,2.54,2.54,2.54,2.54,3.87,4.7321998496587625,4.824678491026639,4.867055657435225,4.892849978637342,4.9104575033966595,4.923680084036526,4.933869088948725,4.942082096523668,4.948982026834372,4.954824512440059,third
+276,1.81,100,1.8720871595593792e+17,4.75,1.55814461804655,75.9,Unknown,Acid,1,0.022184432409770756,0.017080276770248596,8.46,8.230195087735375,8.164983245777542,8.145620084028089,8.139781585333091,8.138011024001031,8.137472634101593,8.13731333482871,8.137265012045992,8.137248681795896,8.137244258005264,0.17,0.055097543867686866,0.022491622888770893,0.012810042014044069,0.009890792666546308,0.00900551200051591,0.008736317050797054,0.008656667414355109,0.008632506022996695,0.008624340897949098,0.008622129002632548,0.58,0.6949024561323132,0.7275083771112292,0.737189957985956,0.7401092073334538,0.7409944879994841,0.741263682949203,0.7413433325856448,0.7413674939770032,0.7413756591020508,0.7413778709973674,third
+271,8.0,93,2.016326031069175e+16,4.73,1.5539252025038417,59.1,Unknown,Acid,0,0.02389861164873394,0.01721978564287654,9.32,9.300881110681013,9.281762221362026,9.262643332043039,9.243524442724052,9.224405553405065,9.205286664086078,9.18616777476709,9.167048885448104,9.147929996129117,9.12881110681013,4.26,4.26,4.26,4.26,4.26,4.26,4.26,4.26,4.26,4.26,4.26,3.77,3.789118889318987,3.808237778637974,3.8273566679569617,3.846475557275949,3.865594446594936,3.884713335913923,3.90383222523291,3.922951114551897,3.9420700038708842,3.9611888931898713,zero
+276,6.84,94,2.046509100925898e+17,1.28,0.2468600779315258,28.8,Unknown,Enzyme,0,0.33136955313627053,0.28125550795172866,3.18,1.188917599001155,0.7300649311666515,0.527165823894759,0.4121264548093412,0.3385573704579473,0.2870476414745112,0.24950465789516652,0.22035964516435974,0.19732599082104973,0.17865984703880197,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,4.03,5.025541200499423,5.254967534416675,5.356417088052622,5.4139367725953305,5.450721314771028,5.476476179262746,5.495247671052418,5.509820177417822,5.521337004589477,5.530670076480601,second
+275,4.78,93,3.7298311208726125e+17,4.81,1.5706970841176697,28.3,Linear,Enzyme,0,0.8058340927818773,0.43174904653555896,9.37,0.5086131392565212,0.36010282063388965,0.29394600459497644,0.25470587476690415,0.22773005706370933,0.20805680867696,0.19254156493745847,0.18006630328641213,0.16980580224785577,0.1611083934424803,1.37,1.37,1.37,1.37,1.37,1.37,1.37,1.37,1.37,1.37,1.37,1.89,4.843795620247826,4.893299059788703,4.915351331801674,4.9284313750776985,4.937423314312096,4.943981063774346,4.949152811687513,4.953311232237862,4.956731399250715,4.959630535519173,third
+274,6.85,91,4.340974607491368e+17,1.59,0.4637340162321402,123.4,Ring,Acid,0,1.9451800554084142,1.5537784765478189,9.75,2.05820646439645,0.43540989011377895,0.09186096985831738,0.01943022875628963,0.004103497206820962,0.0008668785148377564,0.00018332180767351725,3.898112817710992e-05,8.367534673835893e-06,1.918922729253346e-06,3.65,3.65,3.65,3.65,3.65,3.65,3.65,3.65,3.65,3.65,3.65,0.35,0.35,0.35,0.35,0.35,0.35,0.35,0.35,0.35,0.35,0.35,first
+276,5.06,95,1.1431710916123675e+17,4.6,1.5260563034950492,73.7,Branched,None,1,0.11971467143146375,0.06690040282671672,6.47,5.137885181143867,4.5338151289934565,4.2218172064647,4.051100646240604,3.9533573817634915,3.897374576531794,3.864104476557374,3.844583347668266,3.833331647019353,3.826356396595188,3.7,2.3678851811438677,1.7638151289934574,1.451817206464701,1.2811006462406052,1.1833573817634926,1.1273745765317946,1.094104476557375,1.0745833476682667,1.0633316470193537,1.0563563965951885,4.49,5.822114818856133,6.4261848710065435,6.738182793535299,6.908899353759395,7.006642618236508,7.062625423468205,7.095895523442625,7.115416652331733,7.126668352980646,7.133643603404811,second
+280,4.37,94,3.0793433926810234e+17,4.26,1.449269160281279,77.2,Unknown,None,0,0.8951790633405655,0.5406727127140512,5.14,0.24548453965506595,0.13187824674531679,0.09056863181279522,0.06911285061519654,0.05582602464906917,0.046928351659575984,0.04042120152512026,0.035520705565641464,0.03171598102789724,0.02862166166140307,4.94,2.492742269827534,2.435939123372659,2.415284315906398,2.404556425307599,2.3979130123245356,2.3934641758297888,2.390210600762561,2.3877603527828217,2.3858579905139496,2.3843108308307026,2.01,4.457257730172467,4.514060876627341,4.534715684093602,4.545443574692401,4.552086987675465,4.556535824170211,4.55978939923744,4.562239647217179,4.564142009486051,4.565689169169299,third
+278,1.93,91,4.330150689794681e+17,4.05,1.3987168811184478,99.3,Linear,None,1,3.447435197009974,2.6325666822112908,5.9,1.7898523581247465,1.7910716477774342,1.790617472148134,1.7888485579216804,1.7918175088077468,1.7877316387409594,1.7926760765899383,1.7897493437680112,1.7893538257037636,1.7903342395479869,2.32,2.32,2.32,2.32,2.32,2.32,2.32,2.32,2.32,2.32,2.32,2.14,4.195073820937628,4.194464176111284,4.194691263925934,4.1955757210391615,4.194091245596128,4.196134180629522,4.1936619617050335,4.195125328115996,4.19532308714812,4.194832880226008,second
+280,13.12,99,4.203264825803239e+17,4.55,1.5151272329628591,20.6,Unknown,Acid,1,0.14264068984396416,0.12628310286488492,8.07,6.950300171068412,6.947614176944043,6.947641093421711,6.94768702118403,6.947550138839497,6.947586290431479,6.947721728791338,6.9476463142085425,6.947583269372774,6.947655999994259,0.61,0.05015008553420647,0.04880708847202202,0.048820546710855776,0.04884351059201535,0.04877506941974899,0.04879314521574022,0.0488608643956701,0.04882315710427246,0.04879163468638789,0.04882799999713069,2.1,2.659849914465794,2.6611929115279787,2.6611794532891446,2.6611564894079853,2.661224930580252,2.6612068547842607,2.6611391356043312,2.661176842895729,2.6612083653136134,2.6611720000028707,third
+277,3.58,92,1.632054515580761e+17,4.03,1.3937663759585917,193.1,Branched,Enzyme,1,0.7301615803547102,0.4233784123664613,9.33,1.5753682618121914,1.5749992488115432,1.5751194247550788,1.5753147709889739,1.5751521386191334,1.5750902317124915,1.5753500719370597,1.5753883825752886,1.5752836590182386,1.5765889469132706,2.87,2.87,2.87,2.87,2.87,2.87,2.87,2.87,2.87,2.87,2.87,4.17,6.754877246062603,6.755000250396152,6.754960191748307,6.754895076337009,6.754949287126956,6.754969922762504,6.754883309354314,6.754870539141572,6.754905446993922,6.754470351028912,third
+275,11.89,94,1.322980979893033e+17,4.31,1.4609379041156563,39.8,Unknown,Enzyme,1,0.18456912946644286,0.1031549052190439,1.84,0.6671491487508896,0.5371837358550681,0.5080218354148086,0.5006904212478394,0.49890406517280544,0.49829101462498665,0.4981942693257416,0.49808210468051217,0.4982655315775876,0.4981649189226059,4.84,4.2535745743754445,4.188591867927534,4.174010917707404,4.170345210623919,4.169452032586403,4.169145507312493,4.16909713466287,4.169041052340256,4.1691327657887935,4.169082459461303,1.18,1.7664254256245548,1.8314081320724658,1.8459890822925953,1.84965478937608,1.850547967413597,1.8508544926875063,1.8509028653371289,1.8509589476597437,1.850867234211206,1.8509175405386968,third
+274,10.61,90,1.3196662789474981e+17,3.35,1.208960345836975,74.6,Branched,Enzyme,1,0.9172356784760255,0.5557551468054577,8.46,4.723335020684763,4.723236320577242,4.723436612202935,4.723296819213256,4.723292507035507,4.723445095018784,4.723256786966609,4.723377197820769,4.723391662341938,4.723356706278484,1.94,0.07166751034238018,0.07161816028862023,0.07171830610146696,0.07164840960662788,0.07164625351775329,0.07172254750939153,0.0716283934833046,0.07168859891038397,0.07169583117096892,0.07167835313924124,0.77,2.638332489657619,2.6383818397113794,2.638281693898533,2.6383515903933725,2.638353746482247,2.6382774524906085,2.6383716065166958,2.638311401089616,2.6383041688290314,2.6383216468607587,third
+279,1.78,90,4.5547133512161384e+16,4.47,1.4973884086254774,197.4,Linear,Acid,1,0.6426412639076956,0.3557373258614079,3.08,1.2819056110112295,1.2671394585160654,1.2661219854363555,1.2661148020307125,1.2658337322577455,1.2665266483952595,1.2678789018962644,1.2673492537725222,1.2661052997508115,1.2668478025734338,2.02,1.1209528055056144,1.1135697292580324,1.1130609927181776,1.113057401015356,1.1129168661288726,1.1132633241976295,1.113939450948132,1.113674626886261,1.1130526498754056,1.1134239012867166,2.32,3.219047194494385,3.2264302707419668,3.2269390072818216,3.2269425989846434,3.2270831338711266,3.22673667580237,3.2260605490518675,3.2263253731137387,3.226947350124594,3.226576098713283,third
+279,1.79,94,1.2036018885513178e+17,1.0,0.0,109.3,Linear,Enzyme,1,0.3027468571441533,0.23423884312079032,4.74,1.5119505904483332,1.5061436151671865,1.5082250984915149,1.5057212296207656,1.5078925279654065,1.5047770562322678,1.5083214615512104,1.5059099855958635,1.507428885515743,1.506761685550016,2.99,2.99,2.99,2.99,2.99,2.99,2.99,2.99,2.99,2.99,2.99,3.34,4.416016469850556,4.417952128277605,4.417258300502829,4.418092923459746,4.417369157344865,4.418407647922578,4.41722617948293,4.418030004801378,4.417523704828085,4.417746104816661,third
+277,3.85,90,4.2755405678925216e+17,1.74,0.5538851132264376,32.1,Unknown,Base,0,4.558630419824791,3.5692041967726653,8.95,0.23372099551694048,0.0061160810223956676,0.0001605626616367449,4.0942462016456355e-06,1.3184368877337648e-07,-6.285468352928047e-07,1.6707056698240863e-07,-2.935580143831169e-07,-7.43312988835371e-07,2.0429289352356075e-07,0.7,0.7,0.7,0.7,0.7,0.7,0.7,0.7,0.7,0.7,0.7,2.84,11.55627900448306,11.783883918977603,11.789839437338362,11.789995905753797,11.78999986815631,11.790000628546833,11.78999983292943,11.790000293558013,11.790000743312987,11.789999795707105,first
+277,9.12,98,1.3785094522143834e+17,3.33,1.2029723039923526,60.0,Branched,Acid,0,0.045563487117683474,0.03141302239433451,7.38,4.80975562827977,3.565247767570386,2.831365674366917,2.347857705791138,2.00712379634039,1.7502957415125662,1.5533657041512732,1.3968062548707096,1.267728382842472,1.1604817435986503,2.35,2.35,2.35,2.35,2.35,2.35,2.35,2.35,2.35,2.35,2.35,2.68,3.965122185860115,4.587376116214807,4.954317162816541,5.196071147104431,5.366438101829805,5.494852129243717,5.593317147924363,5.671596872564645,5.736135808578763,5.789759128200674,second
+278,10.5,92,4.221836707170599e+17,1.24,0.2151113796169455,56.2,Branched,None,0,2.180687117912327,1.857994362647838,5.54,0.1560561488119094,0.08341037573221052,0.05716322201469132,0.043558868579366423,0.0351646938864098,0.02954040129367856,0.025442696002585138,0.02234581683975255,0.019946944523447308,0.01800212375231882,4.32,1.6280280744059554,1.591705187866106,1.5785816110073463,1.5717794342896838,1.5675823469432055,1.5647702006468398,1.5627213480012931,1.5611729084198767,1.5599734722617242,1.55900106187616,0.72,3.411971925594045,3.448294812133894,3.4614183889926533,3.468220565710316,3.472417653056794,3.47522979935316,3.4772786519987062,3.4788270915801225,3.4800265277382754,3.4809989381238395,third
+277,2.03,99,1.180946657476657e+17,3.63,1.2892326482767593,134.4,Linear,Enzyme,0,0.025284709554123097,0.02211681897413443,3.07,3.008524604416247,2.9482802240291273,2.8892421639529373,2.8313863040958567,2.77468901110844,2.7191270961668996,2.664677814973107,2.611318867754593,2.5590283992645464,2.507784998781816,3.57,3.57,3.57,3.57,3.57,3.57,3.57,3.57,3.57,3.57,3.57,0.16,0.22147539558375298,0.2817197759708724,0.3407578360470626,0.398613695904143,0.45531098889155974,0.5108729038331001,0.5653221850268928,0.6186811322454069,0.6709716007354534,0.7222150012181838,first
+275,12.24,94,4.990536446376981e+17,1.31,0.2700271372130602,188.9,Linear,None,0,0.6962299394151746,0.5713879423784719,3.85,2.205007443031696,1.2636625397908028,0.7242647621815528,0.4150961653579137,0.2381978067161306,0.13636757084369427,0.07828667428340727,0.04482008382907146,0.025722075387269252,0.014740954775197521,2.89,2.89,2.89,2.89,2.89,2.89,2.89,2.89,2.89,2.89,2.89,0.51,0.51,0.51,0.51,0.51,0.51,0.51,0.51,0.51,0.51,0.51,first
+271,3.72,95,4.374084211101944e+17,2.97,1.0885619528146082,175.5,Unknown,Acid,1,0.21339765064385524,0.13374218540069488,8.98,8.314060842047658,8.18174719093729,8.15350354942805,8.147425980412322,8.146142262814097,8.145862679726948,8.145740558994477,8.145806776393465,8.145754028216254,8.145773127344395,1.04,0.3740608420476563,0.24174719093728853,0.21350354942804817,0.20742598041232038,0.20614226281409592,0.2058626797269459,0.20574055899447444,0.20580677639346256,0.20575402821625224,0.20577312734439276,1.84,2.505939157952344,2.6382528090627115,2.6664964505719517,2.6725740195876795,2.673857737185904,2.674137320273054,2.6742594410055256,2.6741932236065376,2.674245971783748,2.6742268726556073,second
+273,13.51,100,8.053521746418928e+16,2.01,0.6981347220709843,139.6,Unknown,Enzyme,0,0.005911899176633615,0.0035920423958856794,7.67,7.633810234208072,7.59779122449841,7.56194216518628,7.526262254379744,7.490750693952202,7.455406689600569,7.4202294507560635,7.385218190551791,7.350372125822739,7.315690477105779,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.9,4.936189765791928,4.97220877550159,5.00805783481372,5.043737745620256,5.079249306047799,5.114593310399432,5.149770549243937,5.184781809448209,5.219627874177261,5.254309522894221,first
+271,4.68,90,2.8640218015907576e+16,3.54,1.264126727145683,198.6,Branched,Enzyme,0,0.12854416468491778,0.06598793571088465,2.15,1.9398920208488788,1.7503174661017646,1.5792197870204325,1.4247359073474613,1.285366717536314,1.1597092454612228,1.0464424239876462,0.9443270909722672,0.8522059892629932,0.7690037666989578,1.41,1.41,1.41,1.41,1.41,1.41,1.41,1.41,1.41,1.41,1.41,0.3,0.3,0.3,0.3,0.3,0.3,0.3,0.3,0.3,0.3,0.3,first
+273,10.54,100,4.635923059501881e+16,0.78,-0.2484613592984996,47.4,Unknown,Acid,0,0.0034031210917873016,0.0017097551471048093,8.01,5.608049010262548,4.559936967265231,3.939276170948048,3.522092526342992,3.210824320423385,2.971659209181275,2.7799360976688887,2.6195454605714925,2.484055612336721,2.367615887088957,1.88,1.88,1.88,1.88,1.88,1.88,1.88,1.88,1.88,1.88,1.88,1.1,1.900650329912484,2.2500210109115897,2.4569079430173173,2.5959691578856696,2.6997252265255387,2.7794469302729086,2.8433546341103706,2.896818179809503,2.9419814625544265,2.980794704303681,third
+274,6.36,93,1.0993155946727043e+17,1.44,0.36464311358790924,131.5,Unknown,Base,0,0.20474176187605492,0.1737622256806382,3.86,0.9772596589421757,0.7028298680593336,0.576790894499357,0.5012123519956888,0.4487973786932983,0.41046703380289123,0.38023077162757696,0.3557863391420147,0.3356094946797385,0.31850217988005863,2.25,2.25,2.25,2.25,2.25,2.25,2.25,2.25,2.25,2.25,2.25,0.85,1.8109134470192751,1.9023900439802224,1.9444030351668813,1.969595882668104,1.9870675404355675,1.9998443220657032,2.0099230761241413,2.0180712202859956,2.0247968351067542,2.030499273373314,third
+270,2.32,92,2.3507653136084294e+17,4.58,1.5216989981260935,54.0,Linear,Acid,1,0.37333311736879304,0.24864417231505231,6.59,1.4905168140334681,1.4886856072302936,1.4874072721621205,1.4876999101056008,1.4893800926865417,1.4901438571301735,1.4895557410260747,1.4880937948521442,1.487486008857995,1.4888326673181995,2.73,2.73,2.73,2.73,2.73,2.73,2.73,2.73,2.73,2.73,2.73,3.25,4.949827728655512,4.950438130923237,4.950864242612628,4.950766696631468,4.950206635771154,4.949952047623277,4.950148086324643,4.950635401715953,4.950837997047336,4.950389110893935,third
+270,7.55,99,2.037047507086809e+17,0.52,-0.6539264674066639,75.2,Unknown,Enzyme,0,0.014308960402770797,0.011190805529143925,4.23,4.137883507842865,4.0518992186083045,3.971477481862948,3.89611282712246,3.8253797671473473,3.7588917766839898,3.696296080063482,3.6372736512016335,3.58153921359897,3.5288412403407317,1.97,1.8778835078428648,1.7918992186083038,1.7114774818629472,1.636112827122459,1.5653797671473466,1.498891776683989,1.4362960800634812,1.3772736512016328,1.321539213598969,1.268841240340731,2.35,2.442116492157135,2.528100781391696,2.608522518137053,2.683887172877541,2.7546202328526537,2.821108223316011,2.883703919936519,2.9427263487983675,2.998460786401031,3.0511587596592693,second
+276,2.79,96,8.141794089280733e+16,3.0,1.0986122886681098,78.4,Ring,None,1,0.05514339257115404,0.03226583806726641,7.29,7.062409938211803,6.850191151900271,6.652298816112209,6.467750433880797,6.295668815859939,6.135226578528456,5.985640253051051,5.846170285278314,5.716121035746713,5.594840779678606,2.97,2.97,2.97,2.97,2.97,2.97,2.97,2.97,2.97,2.97,2.97,3.33,3.557590061788197,3.7698088480997294,3.9677011838877907,4.152249566119203,4.324331184140061,4.4847734214715445,4.634359746948949,4.773829714721686,4.903878964253287,5.025159220321394,first
+276,13.27,98,3.959370291920054e+17,0.89,-0.11653381625595151,131.5,Unknown,Enzyme,1,0.11216928000821441,0.0726470138496431,4.87,4.604224094484578,4.374980799836218,4.176915154913163,4.00553453417017,3.8578555599561666,3.7310218971978566,3.622264872761275,3.5289034754517865,3.4483443560140845,3.378185968991447,1.58,1.58,1.58,1.58,1.58,1.58,1.58,1.58,1.58,1.58,1.58,2.6,2.8657759055154215,3.0950192001637817,3.293084845086836,3.4644654658298295,3.612144440043833,3.738978102802143,3.8477351272387246,3.9410965245482132,4.021655643985915,4.0918140310085525,first
+275,1.52,98,2.957955563842492e+17,3.39,1.220829921392359,82.8,Linear,None,1,0.07174523888655761,0.062328950718253166,5.43,3.6376941213584706,2.914597769771344,2.564924962222463,2.383183157616974,2.2814631445295177,2.225652043874008,2.192292914563991,2.1741123317783257,2.163474936140399,2.1569858184071453,3.01,3.01,3.01,3.01,3.01,3.01,3.01,3.01,3.01,3.01,3.01,3.67,4.566152939320765,4.927701115114328,5.102537518888769,5.1934084211915135,5.244268427735241,5.2721739780629955,5.288853542718004,5.297943834110837,5.303262531929801,5.306507090796428,second
+279,5.09,94,3.2093966704119104e+17,2.17,0.7747271675523681,174.6,Ring,None,0,0.8072725413098157,0.44589147642877497,3.86,0.6470706357299864,0.35287148642722177,0.24268715568376004,0.18509250945873534,0.1493413841713203,0.12540297816118573,0.10788362438866339,0.0947412875439432,0.08451822045441713,0.07620385956523092,1.39,1.39,1.39,1.39,1.39,1.39,1.39,1.39,1.39,1.39,1.39,2.3,3.9064646821350064,4.053564256786389,4.10865642215812,4.137453745270633,4.15532930791434,4.167298510919407,4.176058187805669,4.182629356228029,4.187740889772792,4.191898070217385,second
+272,10.46,99,3.522805158482122e+17,3.4,1.2237754316221157,72.9,Ring,Enzyme,0,0.034223885996728085,0.023143536212295073,3.48,2.922994199390687,2.5194713851959536,2.2136344933582675,1.975907180641923,1.784025956707212,1.624873504225815,1.492137954927601,1.3800941189294398,1.2838896477193642,1.1997052589197017,1.32,1.32,1.32,1.32,1.32,1.32,1.32,1.32,1.32,1.32,1.32,0.54,0.8185029003046564,1.0202643074020232,1.1731827533208663,1.2920464096790385,1.3879870216463939,1.4675632478870926,1.5339310225361995,1.5899529405352801,1.638055176140318,1.6801473705401493,second
+273,2.71,95,4.510380238414369e+16,4.98,1.6054298910365616,154.1,Ring,None,0,0.02996865690214789,0.02457534217710541,8.68,7.95893454445983,7.820549385358742,7.789448817135056,7.782211228239528,7.780518798803472,7.780122387170951,7.780029091041372,7.780007110229157,7.780001422837603,7.780000618897261,0.45,0.08946727222991581,0.020274692679371854,0.004724408567528761,0.0011056141197648085,0.0002593994017370919,6.119358547640292e-05,1.4545520686756412e-05,3.5551145792533616e-06,7.114188022957533e-07,3.0944863158763024e-07,2.9,3.260532727770084,3.3297253073206283,3.3452755914324714,3.3488943858802354,3.3497406005982633,3.349938806414524,3.3499854544793135,3.349996444885421,3.349999288581198,3.349999690551369,third
+271,3.76,97,1.1635857088395162e+17,1.89,0.636576829071551,182.3,Ring,Acid,1,0.02336638086696909,0.011860750827430844,3.54,3.4866324574862615,3.4347479099670277,3.384305137856917,3.3352639850244077,3.287585600538098,3.241232194854033,3.196166956333035,3.1523540512406996,3.1097586237473998,3.068346795928282,1.73,1.73,1.73,1.73,1.73,1.73,1.73,1.73,1.73,1.73,1.73,1.27,1.3233675425137386,1.375252090032972,1.4256948621430832,1.4747360149755921,1.5224143994619022,1.568767805145967,1.6138330436669652,1.6576459487593003,1.7002413762526003,1.741653204071718,first
+278,6.0,91,4.550423653222498e+17,3.08,1.1249295969854831,194.7,Branched,Enzyme,0,3.6228047906965055,2.0446368749501462,2.4,0.05532451590417563,0.028326471739936625,0.019059549537547585,0.014367188027649901,0.011538109394262214,0.00962854606184101,0.008267031889626238,0.007248243820115079,0.006445677371350625,0.00580333051235385,4.16,2.9876622579520884,2.9741632358699692,2.9695297747687746,2.9671835940138256,2.965769054697132,2.964814273030921,2.964133515944814,2.9636241219100583,2.963222838685676,2.9629016652561777,2.23,3.4023377420479113,3.4158367641300305,3.420470225231225,3.422816405986174,3.4242309453028676,3.4251857269690786,3.425866484055186,3.4263758780899414,3.4267771613143236,3.427098334743822,third
+274,3.33,93,2.8760407048339136e+16,2.57,0.9439058989071284,174.0,Unknown,None,0,0.053564749193816485,0.04495592883415803,4.68,4.483689721924802,4.295614029174815,4.11542734760555,3.9427968619486196,3.777407453540271,3.618957086331902,3.4671549714214134,3.321721567053205,3.1823885786181774,3.0488989586537327,0.49,0.49,0.49,0.49,0.49,0.49,0.49,0.49,0.49,0.49,0.49,4.49,4.49,4.49,4.49,4.49,4.49,4.49,4.49,4.49,4.49,4.49,first
+271,12.31,91,3.243811400247761e+17,3.56,1.269760544863939,69.7,Unknown,Acid,0,0.9340646407049795,0.5582136056950543,9.23,0.47247178314993526,0.3345206139990745,0.2730502144051607,0.2365673045809117,0.21153732088867014,0.19325401946895,0.1788247959516254,0.16724588627946035,0.15773539109611834,0.1496674758598559,2.87,2.87,2.87,2.87,2.87,2.87,2.87,2.87,2.87,2.87,2.87,1.78,4.699176072283355,4.745159795333643,4.765649928531613,4.77781089847303,4.786154226370443,4.792248660177017,4.797058401349458,4.800918037906847,4.804088202967961,4.806777508046715,third
+276,4.4,97,4.1498252320381734e+17,4.5,1.5040773967762742,168.6,Ring,Acid,0,0.18177761312033017,0.12084499417045358,9.81,1.0662583538820856,0.7566986369309655,0.6181245350415694,0.5355525872644918,0.47915757292578026,0.4376980978561669,0.4050259139332132,0.3789050062387429,0.3574607496494978,0.33917909634494775,1.53,1.53,1.53,1.53,1.53,1.53,1.53,1.53,1.53,1.53,1.53,2.0,4.914580548705971,5.017767121023011,5.063958488319477,5.091482470911836,5.110280809024739,5.124100634047943,5.134991362022261,5.143698331253751,5.1508464167835,5.1569403012183495,third
+275,10.68,97,1.0878502739730214e+17,2.54,0.9321640810304452,89.0,Unknown,None,1,0.04086218367934916,0.024128338648700946,3.36,1.9270514265363574,1.5374030930550076,1.3515568443605752,1.2467680875172842,1.1814716101446383,1.1397198571881741,1.1109121903082266,1.0916766032067124,1.0786912927059475,1.0692150574772366,3.61,3.61,3.61,3.61,3.61,3.61,3.61,3.61,3.61,3.61,3.61,1.17,1.6476495244878808,1.7775323023149974,1.8394810518798084,1.8744106374942386,1.8961761299517872,1.9100933809372753,1.9196959365639243,1.9261077989310957,1.930436235764684,1.9335949808409212,third
+275,8.02,95,3.0175219792215846e+17,2.55,0.9360933591703348,88.1,Unknown,Enzyme,0,0.27183470353161715,0.19854514053728323,8.57,1.8173085363221015,1.0172389227441931,0.7059047991269028,0.5403255948805318,0.43825863839846035,0.3679851240671562,0.3174980897292639,0.2792400723628456,0.24899830174028686,0.22467295934554263,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,4.01,7.386345731838949,7.7863805386279035,7.942047600436549,8.024837202559734,8.07587068080077,8.111007437966421,8.136250955135369,8.155379963818577,8.170500849129857,8.18266352032723,second
+274,9.38,99,4.2398078221823104e+17,4.54,1.5129270120532565,113.8,Ring,None,0,0.056697599760798426,0.040018565689927496,7.12,6.804265125467994,6.502531503106848,6.21417784666955,5.938606930317227,5.67525585967308,5.423586186308457,5.183080469641061,4.953242276934948,4.73359618330053,4.523687771694571,3.99,3.99,3.99,3.99,3.99,3.99,3.99,3.99,3.99,3.99,3.99,2.13,2.13,2.13,2.13,2.13,2.13,2.13,2.13,2.13,2.13,2.13,first
+279,1.97,90,3.105508273110852e+17,2.59,0.9516578757114463,179.5,Ring,Base,0,4.381675876869157,3.537697925722891,5.38,0.21836685819730198,0.15446755245602742,0.12617750671538466,0.10918929976097812,0.09774702502828642,0.08917876869974369,0.08255235582583029,0.0772687003219586,0.07285502686119517,0.06910007058320151,0.37,0.37,0.37,0.37,0.37,0.37,0.37,0.37,0.37,0.37,0.37,4.38,6.1005443806009,6.121844149181325,6.1312741644282065,6.136936900079675,6.14075099165724,6.143607077100087,6.145815881391391,6.147577099892682,6.149048324379603,6.150299976472268,third
+278,12.44,93,2.264800772713924e+17,2.14,0.7608058290337602,80.4,Unknown,Acid,1,0.7589632657093169,0.40094732835669794,3.83,1.7510777276057587,1.7362695613685315,1.7360141755294076,1.738010006058506,1.7357087623029512,1.7354692232738536,1.7383986275484637,1.735350676397929,1.7367258972182844,1.738290637366388,1.93,1.93,1.93,1.93,1.93,1.93,1.93,1.93,1.93,1.93,1.93,4.66,5.699461136197121,5.706865219315734,5.706992912235296,5.705994996970747,5.707145618848525,5.707265388363074,5.705800686225768,5.707324661801036,5.706637051390858,5.705854681316807,second
+270,4.49,95,3.674218795567831e+17,3.95,1.3737155789130306,181.4,Branched,None,1,0.1533368038227725,0.09226992129524754,2.32,1.712922039542867,1.3886416005159419,1.198866660422279,1.0818074271772355,1.0085723321498419,0.9609934018898967,0.9300208038025128,0.910051414325764,0.8965577055552555,0.8876371990205596,3.29,2.6829220395428672,2.3586416005159423,2.1688666604222795,2.051807427177236,1.978572332149842,1.9309934018898969,1.900020803802513,1.8800514143257643,1.8665577055552558,1.85763719902056,1.21,1.8170779604571328,2.1413583994840577,2.3311333395777205,2.448192572822764,2.521427667850158,2.569006598110103,2.599979196197487,2.6199485856742357,2.633442294444744,2.64236280097944,second
+279,5.61,95,4.510101798652059e+17,1.07,0.06765864847381486,25.6,Branched,Base,1,0.7371492595211154,0.4632867486524916,4.97,2.777610857604559,2.651424305543188,2.640386855457616,2.6393970990630002,2.639073876047961,2.6394100855880334,2.639512780612019,2.638852386072508,2.6396569779360646,2.6396495958930863,3.15,0.9576108576045591,0.8314243055431879,0.8203868554576161,0.8193970990630003,0.8190738760479608,0.8194100855880335,0.8195127806120188,0.8188523860725084,0.8196569779360645,0.8196495958930864,1.11,3.302389142395441,3.428575694456812,3.439613144542384,3.440602900937,3.440926123952039,3.4405899144119667,3.440487219387981,3.441147613927492,3.4403430220639355,3.4403504041069137,second
+273,12.98,95,1.3898297532757565e+17,2.71,0.9969486348916096,94.4,Ring,None,1,0.09234549822114463,0.05099487073092185,5.55,5.211956827886479,4.910533012959485,4.6414103610113395,4.4012412749185925,4.1872434197678645,3.9967673659146494,3.8272965889833106,3.6764474698670835,3.5419692947280748,3.4217447508779366,3.86,3.86,3.86,3.86,3.86,3.86,3.86,3.86,3.86,3.86,3.86,1.28,1.6180431721135207,1.9194669870405143,2.18858963898866,2.4287587250814076,2.6427565802321347,2.83323263408535,3.0027034110166886,3.153552530132916,3.2880307052719244,3.4082552491220626,first
+280,4.65,92,1.4438154013853034e+17,0.68,-0.3856624808119846,102.8,Unknown,Base,1,0.991017928689068,0.6998238022193791,4.61,3.6270972633675687,3.3715775013428217,3.305839299756124,3.288379165745727,3.283416380044052,3.283130690029365,3.281728339471792,3.2827287747831866,3.2824585864350553,3.2822876165928268,3.3,3.3,3.3,3.3,3.3,3.3,3.3,3.3,3.3,3.3,3.3,3.32,4.302902736632432,4.558422498657179,4.624160700243877,4.641620834254274,4.6465836199559485,4.6468693099706355,4.648271660528209,4.647271225216815,4.647541413564946,4.647712383407175,first
+279,6.38,91,2.214224474960312e+17,3.64,1.2919836816486494,157.9,Unknown,Base,0,2.030025583624088,1.3618107376576967,6.84,0.32072238758904725,0.22689633831324654,0.18535589687283094,0.16040392217047472,0.143597469534854,0.1310081687357093,0.12127837903186461,0.11351757779344374,0.10703014623719245,0.10151433986857192,3.08,3.08,3.08,3.08,3.08,3.08,3.08,3.08,3.08,3.08,3.08,0.16,2.333092537470317,2.364367887228917,2.378214701042389,2.3865320259431746,2.3921341768217146,2.3963306104214293,2.399573873656044,2.4021608074021845,2.4043232845876017,2.4061618867104753,third
+276,12.58,92,4.840344920311166e+17,4.11,1.4134230285081433,79.1,Ring,None,0,1.8737031503381658,1.3012116912389888,8.15,1.8199536202522892,0.4072745085340149,0.09105322166242094,0.020376273449680495,0.004558496729287387,0.001019613801979283,0.00022809052106124463,5.135302096958422e-05,1.1667587742445128e-05,2.6955683647457135e-06,4.31,4.31,4.31,4.31,4.31,4.31,4.31,4.31,4.31,4.31,4.31,1.95,8.280046379747711,9.692725491465987,10.008946778337581,10.07962372655032,10.095441503270713,10.098980386198022,10.09977190947894,10.099948646979032,10.09998833241226,10.099997304431637,first
+280,1.82,90,4.686860984086676e+17,4.38,1.4770487243883548,164.4,Linear,Enzyme,0,7.595737723901397,5.461801277296745,7.13,0.1659881383484238,0.11730327720213307,0.0958264605223215,0.0829649447635407,0.07423095360495284,0.06772360646778376,0.06273212694004139,0.058697057756255264,0.05532495771710797,0.05247453328349268,1.54,1.54,1.54,1.54,1.54,1.54,1.54,1.54,1.54,1.54,1.54,4.94,7.261337287217192,7.277565574265956,7.284724513159226,7.28901168507882,7.291923015465016,7.294092131177405,7.295755957686652,7.297100980747914,7.298225014094297,7.2991751555721684,third
+277,12.2,97,2.5534557506701523e+17,2.34,0.85015092936961,89.9,Linear,Enzyme,0,0.1302911930531124,0.09585320854127474,7.17,6.460278898711047,5.820811875312259,5.24446249300188,4.724780619437771,4.256604276179285,3.835101257264972,3.4557201523394196,3.1141903466532606,2.806522021063166,2.5290061520318483,0.17,0.17,0.17,0.17,0.17,0.17,0.17,0.17,0.17,0.17,0.17,2.7,2.7,2.7,2.7,2.7,2.7,2.7,2.7,2.7,2.7,2.7,first
+279,13.83,98,1.745636812280861e+17,1.51,0.412109650826833,46.4,Branched,None,1,0.07827803218297122,0.06426586351379036,9.86,8.424995469048994,7.729265742043409,7.358511244328387,7.151301579588052,7.031395505402432,6.961865086857914,6.920346689234905,6.896027883990506,6.881492653495437,6.872752968838452,3.54,2.104995469048994,1.4092657420434083,1.0385112443283864,0.8313015795880518,0.7113955054024317,0.6418650868579133,0.6003466892349049,0.5760278839905058,0.5614926534954371,0.5527529688384526,1.51,2.9450045309510062,3.640734257956592,4.011488755671614,4.218698420411949,4.338604494597569,4.408134913142087,4.449653310765096,4.473972116009495,4.488507346504564,4.497247031161549,second
+273,9.2,98,7.247077175422848e+16,3.29,1.1908875647772805,69.5,Branched,Enzyme,0,0.01284071614703791,0.006858662008378536,4.36,4.34972742708237,4.33945485416474,4.3291822812471095,4.318909708329479,4.308637135411849,4.298364562494218,4.288091989576587,4.277819416658957,4.267546843741327,4.257274270823697,3.45,3.45,3.45,3.45,3.45,3.45,3.45,3.45,3.45,3.45,3.45,1.35,1.3602725729176304,1.3705451458352607,1.380817718752891,1.3910902916705215,1.4013628645881517,1.411635437505782,1.4219080104234123,1.4321805833410428,1.442453156258673,1.4527257291763034,zero
+277,11.23,94,1.3825110912568814e+17,4.06,1.4011829736136412,180.6,Branched,Enzyme,0,0.25953378688553713,0.1409209978095613,5.38,2.817704363216335,1.9905337388808488,1.585477049222166,1.3475708606321832,1.1909853389551475,1.0823844350222351,1.0021739172156146,0.9416604020170567,0.8948566540426302,0.8575013167730817,4.71,2.1477043632163353,1.320533738880849,0.9154770492221661,0.6775708606321832,0.5209853389551475,0.4123844350222352,0.3321739172156147,0.2716604020170569,0.22485665404263033,0.1875013167730819,4.28,6.842295636783664,7.66946626111915,8.074522950777833,8.312429139367817,8.469014661044852,8.577615564977764,8.657826082784384,8.718339597982942,8.76514334595737,8.802498683226917,second
+279,13.53,90,3.2874270941248486e+17,4.02,1.3912819026309295,112.5,Linear,Enzyme,0,4.638351834388674,4.054373493510286,7.36,0.18038216022638878,0.004427043771317151,0.00010908192653380557,2.595947593751253e-06,9.335195359571109e-08,-6.906213378538925e-07,8.751567548037657e-07,-1.1258277451656248e-07,-4.899785272041133e-07,1.2736807614014802e-07,3.39,3.39,3.39,3.39,3.39,3.39,3.39,3.39,3.39,3.39,3.39,2.31,9.489617839773612,9.665572956228683,9.669890918073465,9.669997404052404,9.669999906648044,9.670000690621336,9.669999124843244,9.670000112582771,9.670000489978525,9.669999872631921,first
+274,7.62,99,2.0973986392512032e+17,1.15,0.13976194237515863,192.1,Unknown,Acid,1,0.028047844047303743,0.021213800439739427,5.7,2.558641645023833,2.0110001170245333,1.7815161801427486,1.6642850372951652,1.5990816305526419,1.5603951007013095,1.5370069573666658,1.5234463668794107,1.514473977895194,1.50892223469756,2.66,2.66,2.66,2.66,2.66,2.66,2.66,2.66,2.66,2.66,2.66,3.06,4.107119451658723,4.289666627658489,4.36616127328575,4.405238320901613,4.426972789815787,4.439868299766231,4.447664347544445,4.452184544373531,4.4551753407016035,4.457025921767482,third
+276,3.86,92,3.3557487730429005e+17,4.47,1.4973884086254774,135.2,Unknown,Acid,0,1.2990142544200565,1.0723332411710078,8.09,3.40237928736303,3.3419127772851387,3.3400594963940624,3.3400018389056023,3.3400001708429476,3.3400000436358863,3.340001953669422,3.3400007855296785,3.3399999268494804,3.3400003498976183,4.75,0.062379287363029425,0.0019127772851386766,5.949639406192487e-05,1.838905602013451e-06,1.7084294706297874e-07,4.363588553894053e-08,1.953669421426983e-06,7.855296777383462e-07,-7.315052035265054e-08,3.4989761727515e-07,0.1,4.78762071263697,4.848087222714861,4.849940503605938,4.8499981610943985,4.8499998291570545,4.849999956364116,4.8499980463305805,4.849999214470325,4.850000073150523,4.849999650102385,second
+277,5.92,90,4.06316951067498e+17,3.97,1.3787660946990992,160.8,Linear,Base,0,4.332197961437561,2.183520662870328,3.68,1.9200014293575913,1.9199990588627378,1.9200011352332536,1.9200028561897753,1.9200017878053552,1.9200010196638857,1.9199984290264382,1.9199982059886511,1.9199992422394887,1.9200023482788913,0.88,7.146787954777066e-07,-4.7056863114852534e-07,5.676166266972778e-07,1.4280948874963072e-06,8.939026775372921e-07,5.098319426474884e-07,-7.85486781103026e-07,-8.970056745849351e-07,-3.788802557452715e-07,1.1741394454667411e-06,3.88,4.759999285321204,4.760000470568629,4.759999432383372,4.759998571905111,4.759999106097322,4.759999490168056,4.760000785486779,4.760000897005674,4.760000378880256,4.759998825860555,third
+272,7.47,91,1.469758737789809e+17,4.27,1.451613827240533,25.0,Linear,Enzyme,0,0.49097024897068686,0.3877854206065082,4.7,0.6467191473884473,0.4596604808581497,0.37566803141662575,0.32565366233095666,0.29133361032320754,0.2662102465639726,0.2463690458840361,0.2304558284217055,0.21738986821363676,0.20629727355760327,4.12,4.12,4.12,4.12,4.12,4.12,4.12,4.12,4.12,4.12,4.12,4.34,5.691093617537184,5.753446506380616,5.781443989527791,5.79811544588968,5.809555463225596,5.817929917812008,5.824543651371987,5.8298480571927636,5.83420337726212,5.837900908814131,third
+278,7.42,100,2.95634784218191e+17,0.95,-0.05129329438755058,50.3,Unknown,Base,0,0.0479333806829322,0.039875230117559154,3.45,2.727819285877547,2.2574029276242555,1.9234779756505653,1.6782598746809723,1.4880686301213961,1.3351870625977105,1.2115177588588364,1.1095849321961668,1.0231172835389868,0.9486780102467292,2.78,2.78,2.78,2.78,2.78,2.78,2.78,2.78,2.78,2.78,2.78,4.94,5.301090357061227,5.536298536187872,5.703261012174718,5.825870062659514,5.920965684939302,5.997406468701145,6.059241120570582,6.110207533901917,6.153441358230507,6.1906609948766365,second
+276,4.79,94,2.675990930227086e+17,4.39,1.47932922708708,150.1,Ring,Base,0,0.4332948816816283,0.3157879695317635,9.59,9.445623415148011,9.440213667230132,9.44000821231269,9.440000211185106,9.439999718069846,9.439999175839569,9.439999907871133,9.439999888618294,9.439999721437749,9.44000053863014,0.15,0.005623415148010536,0.00021366723012955507,8.212312688878085e-06,2.1118510570460516e-07,-2.819301544017597e-07,-8.241604317440507e-07,-9.212886803770211e-08,-1.1138170583170115e-07,-2.78562252137645e-07,5.386301407860088e-07,1.21,1.3543765848519898,1.3597863327698707,1.3599917876873113,1.3599997888148945,1.3600002819301544,1.3600008241604318,1.3600000921288682,1.360000111381706,1.3600002785622523,1.3599994613698594,second
+271,5.64,94,4.78982254887655e+16,1.07,0.06765864847381486,141.5,Branched,Acid,1,0.03642307672432648,0.021309448616818664,6.39,6.246523878185835,6.109523672056837,5.978706519552628,5.853791601398058,5.734515085473625,5.620624033631611,5.5118755273216085,5.408036667590523,5.308884575082569,5.214206390039273,4.67,4.67,4.67,4.67,4.67,4.67,4.67,4.67,4.67,4.67,4.67,2.31,2.4534761218141647,2.590476327943163,2.7212934804473714,2.846208398601942,2.965484914526375,3.0793759663683886,3.1881244726783904,3.291963332409476,3.3911154249174302,3.485793609960727,first
+278,4.87,100,1.045416903283066e+17,3.96,1.3762440252663892,151.0,Unknown,Enzyme,1,0.016950091488711877,0.01326859696516328,9.14,7.370481306363538,6.203135879268686,5.380348224585709,4.778234025557875,4.313913241080375,3.950987687708607,3.6636668326788744,3.4301403828666888,3.236775545505652,3.076316625229746,1.01,1.01,1.01,1.01,1.01,1.01,1.01,1.01,1.01,1.01,1.01,2.16,3.0447593468182315,3.6284320603656575,4.039825887707146,4.340882987221063,4.573043379459813,4.7545061561456965,4.898166583660563,5.014929808566656,5.111612227247174,5.191841687385127,second
+271,4.93,99,4.417330584221298e+17,1.7,0.5306282510621704,77.5,Ring,None,0,0.03651266678171146,0.024632381497957427,6.08,2.2256410197144367,1.6296982026211526,1.3468664958187948,1.1745501755576864,1.0538122222716493,0.9645578231843359,0.895152582895861,0.8382197980204095,0.7909571156549577,0.7508782043213732,0.51,0.51,0.51,0.51,0.51,0.51,0.51,0.51,0.51,0.51,0.51,0.84,2.1247863267618543,2.323433932459616,2.4177111680604018,2.475149941480771,2.5153959259094503,2.545147392271888,2.568282472368046,2.58726006732653,2.6030142947816803,2.616373931892875,third
+279,11.75,95,2.8452678114814515e+17,2.94,1.0784095813505903,118.3,Linear,None,1,0.46504206645616425,0.3564785026009958,2.09,1.1384623000380107,1.0866685696651168,1.0819651272146888,1.081533813889326,1.08110216380693,1.0809145568163925,1.0821566691479805,1.0808368394767789,1.0811052001025883,1.0821036046902195,1.53,1.0542311500190054,1.0283342848325585,1.0259825636073445,1.025766906944663,1.0255510819034652,1.0254572784081966,1.0260783345739903,1.0254184197383898,1.0255526000512942,1.02605180234511,1.06,1.5357688499809947,1.5616657151674416,1.5640174363926556,1.564233093055337,1.5644489180965349,1.5645427215918035,1.5639216654260097,1.5645815802616103,1.5644473999487059,1.5639481976548901,third
+280,2.99,94,4.7636649035945446e+17,2.0,0.6931471805599453,112.6,Branched,None,0,1.384818950885292,1.2436572737283969,4.18,3.0721448392917656,1.9642896785835322,0.8564345178752981,-0.2514206428329353,-1.3592758035411685,-2.4671309642494026,-3.5749861249576367,-4.682841285665869,-5.790696446374099,-6.898551607082334,0.69,0.69,0.69,0.69,0.69,0.69,0.69,0.69,0.69,0.69,0.69,0.78,1.8878551607082334,2.9957103214164675,4.103565482124702,5.211420642832935,6.319275803541168,7.427130964249402,8.534986124957637,9.642841285665869,10.7506964463741,11.858551607082333,zero
+278,3.78,99,2.3677440103446902e+17,4.3,1.4586150226995167,168.3,Branched,Base,1,0.05917229995936888,0.03427899838243293,5.11,3.4991050499446974,2.7075107188312013,2.25053388410686,1.9621061195495795,1.7688528188108472,1.633751585847281,1.538582994403637,1.4685875101253114,1.4168892097523984,1.3785019106374372,3.42,3.42,3.42,3.42,3.42,3.42,3.42,3.42,3.42,3.42,3.42,0.81,1.6154474750276515,2.0112446405844,2.2397330579465704,2.3839469402252105,2.480573590594577,2.5481242070763597,2.595708502798182,2.6307062449373446,2.6565553951238012,2.675749044681282,second
+271,7.26,92,1.961307201020772e+17,1.15,0.13976194237515863,177.4,Branched,Base,0,0.36233663649848524,0.3074220651902358,4.16,1.192098654570516,0.845003610789362,0.6851064791321415,0.5880372690682562,0.5214012655655711,0.4717617578490237,0.43347547583962354,0.4023869519309922,0.3765179863604441,0.35464014267689825,2.18,0.696049327285258,0.5225018053946812,0.44255323956607084,0.39401863453412816,0.36070063278278564,0.3358808789245119,0.31673773791981186,0.3011934759654962,0.28825899318022213,0.2773200713384492,4.5,5.983950672714743,6.15749819460532,6.23744676043393,6.285981365465873,6.319299367217216,6.344119121075489,6.363262262080189,6.378806524034505,6.391741006819778,6.402679928661551,third
+271,11.67,96,4.408218103859015e+17,3.89,1.358409157630355,120.3,Unknown,None,1,0.13797832138887092,0.08912008215163716,1.36,1.127935186389959,1.0811457199808436,1.0710939203542007,1.0689276457645565,1.0680438983089038,1.0682585909383957,1.0676193561425142,1.0684463793301082,1.068178011527765,1.0681286371389063,2.89,2.773967593194979,2.7505728599904216,2.7455469601770996,2.7444638228822775,2.744021949154451,2.744129295469197,2.743809678071256,2.7442231896650533,2.744089005763882,2.7440643185694524,4.7,4.8160324068050215,4.839427140009579,4.844453039822899,4.845536177117721,4.845978050845548,4.845870704530802,4.846190321928743,4.845776810334946,4.845910994236117,4.8459356814305465,third
+272,11.92,99,3.021140014210194e+17,4.0,1.3862943611198906,181.6,Linear,Base,1,0.029350232776153083,0.02113378666621035,3.12,2.7524258214981425,2.473788591919652,2.256054083674993,2.0838976816239554,1.946138977184826,1.8329681991364268,1.7381018019503958,1.6589551981398138,1.5924761065511377,1.536167642525367,0.93,0.93,0.93,0.93,0.93,0.93,0.93,0.93,0.93,0.93,0.93,0.95,1.1337870892509287,1.2731057040401743,1.3819729581625038,1.4680511591880225,1.5369305114075873,1.593515900431787,1.6409490990248023,1.6805224009300934,1.7137619467244314,1.7419161787373167,second
+270,1.62,98,2.9824767392372186e+17,1.83,0.6043159668533296,56.7,Linear,Acid,0,0.032707895872334636,0.02190096345483429,8.59,8.368146537085776,8.152022876442404,7.941481032971955,7.736376642353937,7.536569366661551,7.341922678885298,7.152303349187234,6.9675814443383635,6.787630327718641,6.6123266593169685,0.13,0.13,0.13,0.13,0.13,0.13,0.13,0.13,0.13,0.13,0.13,0.47,0.47,0.47,0.47,0.47,0.47,0.47,0.47,0.47,0.47,0.47,first
+270,11.55,93,4.257106111275612e+17,2.28,0.8241754429663494,179.2,Ring,Acid,0,0.4330450725281655,0.2424861599373037,7.11,2.0531296319072796,1.8484546496160457,1.7950388371961117,1.7783075685209757,1.7727916982488774,1.7709421257041555,1.7703182785124238,1.7701074229524403,1.770036432287645,1.7700127791122804,2.67,0.14156481595363954,0.039227324808022504,0.012519418598055533,0.004153784260487436,0.0013958491244383735,0.0004710628520773498,0.00015913925621151236,5.3711476219712916e-05,1.8216143822033963e-05,6.38955613982887e-06,1.82,4.34843518404636,4.450772675191977,4.477480581401944,4.485846215739513,4.488604150875562,4.489528937147924,4.489840860743789,4.489946288523781,4.4899817838561775,4.48999361044386,third
+270,8.39,96,4.2839101321192224e+17,1.08,0.0769610411361284,67.6,Linear,Acid,0,0.11451256079665886,0.07888090074795608,5.8,5.708389951362673,5.616779902725345,5.525169854088018,5.433559805450692,5.3419497568133645,5.250339708176037,5.15872965953871,5.067119610901383,4.9755095622640555,4.883899513626728,0.82,0.82,0.82,0.82,0.82,0.82,0.82,0.82,0.82,0.82,0.82,4.85,4.941610048637327,5.033220097274654,5.124830145911981,5.216440194549308,5.308050243186635,5.399660291823962,5.4912703404612895,5.582880389098617,5.674490437735944,5.766100486373271,zero
+272,9.56,91,2.957874148956933e+17,0.56,-0.579818495252942,110.8,Ring,None,1,0.9880725114933986,0.6675773344486681,2.21,1.0513246666380938,1.0516662512907309,1.051433588533513,1.0505361086759175,1.0502008832266954,1.0508136852517205,1.0518229216656196,1.0513728827776816,1.050490995431427,1.050964905316801,2.36,1.7806623333190466,1.7808331256453651,1.7807167942667566,1.7802680543379588,1.7801004416133477,1.7804068426258604,1.7809114608328098,1.7806864413888408,1.7802454977157136,1.7804824526584007,2.33,2.9093376666809534,2.909166874354635,2.909283205733244,2.909731945662042,2.909899558386653,2.90959315737414,2.909088539167191,2.9093135586111596,2.9097545022842866,2.9095175473415997,third
+270,7.98,92,1.0718451267859477e+17,3.46,1.2412685890696329,187.0,Ring,Base,1,0.1702234077570712,0.11751527708276094,6.68,4.81630091697993,4.2057832489708105,3.9632077493757576,3.8587168938725345,3.8118641413945427,3.7914599718106,3.781535182807537,3.7776731874004414,3.7755193690320668,3.7746017001960315,4.23,2.366300916979931,1.7557832489708114,1.513207749375759,1.4087168938725358,1.3618641413945443,1.3414599718106017,1.3315351828075384,1.3276731874004426,1.3255193690320684,1.324601700196033,4.33,6.1936990830200696,6.804216751029189,7.046792250624241,7.151283106127465,7.198135858605457,7.218540028189399,7.228464817192463,7.232326812599558,7.234480630967933,7.235398299803967,second
+279,9.75,98,1.1178925060832387e+17,2.51,0.9202827531436925,49.9,Linear,None,1,0.05012865502873396,0.035070455042894605,6.54,5.681872280029049,5.102454809998538,4.692687526467656,4.394072193698283,4.168002777181468,3.9957592888020965,3.8629516948127547,3.7582033952001828,3.6752894913948757,3.6093554508272048,4.19,3.33187228002905,2.7524548099985386,2.342687526467657,2.044072193698283,1.8180027771814689,1.6457592888020967,1.512951694812755,1.408203395200183,1.325289491394876,1.259355450827205,1.47,2.3281277199709507,2.9075451900014615,3.3173124735323434,3.6159278063017175,3.8419972228185313,4.014240711197903,4.147048305187245,4.251796604799817,4.334710508605124,4.400644549172795,second
+276,9.89,94,1.1080758922031422e+17,3.65,1.2947271675944,114.6,Linear,None,0,0.17941899846636689,0.13790540827268874,5.59,3.459676214640825,2.5954009230038144,2.132148215285627,1.8450097179617015,1.6521837019195451,1.5139465223117186,1.4111259367300615,1.3328722616829596,1.27114633409906,1.2218453269024345,4.62,2.4896762146408253,1.6254009230038147,1.1621482152856273,0.8750097179617018,0.6821837019195455,0.5439465223117187,0.4411259367300618,0.3628722616829599,0.30114633409906033,0.2518453269024349,3.31,5.440323785359174,6.304599076996185,6.767851784714372,7.054990282038298,7.247816298080454,7.386053477688281,7.488874063269939,7.5671277383170406,7.62885366590094,7.678154673097565,second
+280,10.27,96,1.757189805190913e+17,1.5,0.4054651081081644,67.7,Branched,None,0,0.2163477696338525,0.18061416291061094,8.99,7.973890474541479,7.741152345151678,7.681390398884275,7.665681103828803,7.661511092321435,7.6604012394461645,7.660106656525763,7.66002834288189,7.660007443223554,7.660002157492743,1.33,0.31389047454147945,0.0811523451516789,0.0213903988842758,0.005681103828803712,0.0015110923214359474,0.0004012394461649058,0.00010665652576346761,2.8342881890245347e-05,7.443223554536746e-06,2.1574927430450945e-06,1.38,2.3961095254585207,2.628847654848321,2.688609601115724,2.704318896171196,2.708488907678564,2.7095987605538348,2.7098933434742363,2.709971657118109,2.709992556776445,2.7099978425072564,second
+276,3.27,90,2.909427472037375e+17,3.14,1.144222799920162,120.9,Branched,Acid,1,2.692511499561508,1.8106939965375644,6.95,1.4681478538434916,1.4685721717459046,1.4681883413944035,1.468208492293548,1.468367622911283,1.4682102206960077,1.468319929746636,1.4684036255815502,1.4684001449545698,1.4698901645224,1.86,1.86,1.86,1.86,1.86,1.86,1.86,1.86,1.86,1.86,1.86,2.89,4.717284048718836,4.7171426094180315,4.717270552868532,4.71726383590215,4.717210792362906,4.717263259767998,4.717226690084455,4.717198791472816,4.71719995168181,4.716703278492533,third
+273,3.76,90,3.080935452086305e+17,4.48,1.4996230464268938,193.5,Branched,Enzyme,1,1.8528901151727872,1.1972795271607042,6.4,1.2403435623353232,1.2399976936103756,1.2392359168550284,1.2416015903662831,1.2390330783035681,1.2412517534337992,1.2393187781668091,1.2405625365876694,1.2399337546657427,1.240156314986394,1.62,1.62,1.62,1.62,1.62,1.62,1.62,1.62,1.62,1.62,1.62,1.23,2.9498854792215594,2.9500007687965417,2.9502546943816577,2.9494661365445727,2.9503223072321445,2.9495827488554007,2.950227073944397,2.949812487804111,2.9500220817780867,2.9499478950045357,third
+273,1.49,94,2.663082186324335e+17,3.3,1.1939224684724346,119.9,Ring,Base,0,0.27490414090719817,0.1450858174612346,8.46,6.789792116970748,5.449394294435026,4.3709426629354216,3.505623910191992,2.8148476219987066,2.2627843024559438,1.817096380790588,1.458130408339282,1.1703996295302885,0.9395593367361874,0.99,0.99,0.99,0.99,0.99,0.99,0.99,0.99,0.99,0.99,0.99,1.02,1.02,1.02,1.02,1.02,1.02,1.02,1.02,1.02,1.02,1.02,first
+271,10.18,90,3.022760384976117e+17,0.69,-0.37106368139083207,189.2,Unknown,Enzyme,1,1.3566873286844372,0.8719943762573649,9.09,4.541800453983952,3.7784662979274546,3.6494856804205833,3.6278462774992897,3.624421050798817,3.622712154805258,3.6234406524445837,3.620813760639709,3.6264972811922394,3.6237645794808837,1.19,1.19,1.19,1.19,1.19,1.19,1.19,1.19,1.19,1.19,1.19,0.17,4.718199546016047,5.481533702072544,5.610514319579415,5.632153722500708,5.6355789492011805,5.63728784519474,5.636559347555415,5.6391862393602885,5.633502718807758,5.636235420519114,first
+270,4.65,96,4.045853913800864e+17,3.44,1.235471471385307,140.3,Ring,Enzyme,1,0.10814911564200569,0.08745046035008185,7.64,1.594340407943836,1.3887330106906697,1.3481861572258058,1.3390425808397814,1.3372492584659688,1.3363831413225207,1.3364790978288252,1.3358773809063398,1.3369796658035638,1.3365507249893471,1.13,1.13,1.13,1.13,1.13,1.13,1.13,1.13,1.13,1.13,1.13,0.85,2.865219864018721,2.93375566310311,2.9472712809247312,2.9503191397200728,2.950916913844677,2.95120561955916,2.951173634057058,2.951374206364553,2.9510067780654783,2.951149758336884,third
+270,8.1,95,4.446627530334652e+17,1.04,0.03922071315328133,92.0,Ring,None,0,0.18557187016580226,0.13472680330645456,4.4,4.251542503867358,4.103085007734716,3.9546275116020753,3.8061700154694336,3.6577125193367914,3.5092550232041493,3.3607975270715076,3.2123400309388654,3.0638825348062237,2.9154250386735816,4.16,4.16,4.16,4.16,4.16,4.16,4.16,4.16,4.16,4.16,4.16,1.25,1.3984574961326417,1.5469149922652838,1.6953724883979255,1.8438299845305675,1.9922874806632094,2.140744976795851,2.289202472928493,2.4376599690611354,2.586117465193777,2.734574961326419,zero
+270,5.53,94,4.3614266614003e+17,4.59,1.5238800240724537,169.7,Branched,Base,0,0.28417023278570275,0.16751528073644556,1.48,0.8563208878827943,0.5479260881888015,0.36926696100818407,0.2567813427876337,0.18253381382034384,0.13137138824093464,0.09567550984593551,0.07000681605524946,0.05151972662163383,0.038094772863045315,2.77,2.1463208878827946,1.8379260881888018,1.6592669610081845,1.546781342787634,1.472533813820344,1.421371388240935,1.3856755098459357,1.3600068160552499,1.341519726621634,1.3280947728630457,2.58,3.203679112117206,3.5120739118111985,3.6907330389918163,3.8032186572123665,3.877466186179656,3.9286286117590654,3.964324490154065,3.9899931839447507,4.008480273378367,4.021905227136955,second
+272,11.31,90,1.1861523760598952e+17,3.08,1.1249295969854831,120.8,Branched,Acid,1,0.6165888432263165,0.35254537430958616,7.08,2.835162717202804,2.8302993379535772,2.8306185663862182,2.830233985292811,2.8305261894846034,2.8303849505478165,2.8301176853226546,2.8311054828665974,2.830424887890236,2.8304533532467326,2.35,0.22758135860140233,0.22514966897678892,0.22530928319310928,0.22511699264640578,0.22526309474230174,0.2251924752739083,0.2250588426613272,0.2255527414332987,0.225212443945118,0.22522667662336643,1.03,3.1524186413985973,3.1548503310232108,3.1546907168068903,3.1548830073535936,3.1547369052576975,3.154807524726091,3.1549411573386723,3.1544472585667003,3.1547875560548815,3.154773323376633,third
+271,2.78,93,4.831624654639724e+17,4.09,1.4085449700547104,95.9,Ring,None,0,0.5726708849384564,0.3846457643534114,1.61,0.6534194009120872,0.40946866875975496,0.2979946948456947,0.2341273043894961,0.19307421981029882,0.16404089886835138,0.14266158573255752,0.12633880644252998,0.1132392643510594,0.10259480685532382,4.79,4.79,4.79,4.79,4.79,4.79,4.79,4.79,4.79,4.79,4.79,3.79,4.268290299543956,4.390265665620122,4.446002652577152,4.477936347805252,4.49846289009485,4.512979550565825,4.523669207133722,4.531830596778735,4.5383803678244705,4.543702596572339,second
+277,5.25,95,2.7656653191644733e+17,1.93,0.6575200029167941,177.3,Linear,Acid,1,0.33631433961209733,0.19867265820829713,1.66,1.3018224481271843,1.0682095298887901,0.9162732578910674,0.8168760950932672,0.7524981291017231,0.7101506219035484,0.6827499347124929,0.6649846466151399,0.6532453536265278,0.6456304000061467,2.55,2.55,2.55,2.55,2.55,2.55,2.55,2.55,2.55,2.55,2.55,0.04,0.3981775518728158,0.6317904701112098,0.7837267421089326,0.8831239049067328,0.9475018708982769,0.9898493780964516,1.0172500652875072,1.03501535338486,1.0467546463734723,1.0543695999938534,first
+270,8.51,98,4.7763375910357235e+17,1.55,0.4382549309311553,197.0,Ring,Base,1,0.05238061055881665,0.04228411693054935,3.09,3.0444614939481363,3.002244423544404,2.9631065428786787,2.926820118322901,2.893177966212779,2.8619919136086875,2.8330843860997126,2.8062883783723467,2.781447454210488,2.7584157464954413,1.18,1.18,1.18,1.18,1.18,1.18,1.18,1.18,1.18,1.18,1.18,2.43,2.4755385060518638,2.517755576455596,2.5568934571213213,2.593179881677099,2.6268220337872212,2.6580080863913125,2.6869156139002874,2.7137116216276533,2.738552545789512,2.7615842535045587,first
+270,2.51,91,1.2345324343046205e+17,2.23,0.8020015854720274,108.5,Unknown,Enzyme,0,0.3060965002792153,0.20803359069026967,3.94,0.8084350697660391,0.5782006272460413,0.47359890871871924,0.4111048657803867,0.3679306292020865,0.3363796671774507,0.31147664142049497,0.291398566385205,0.2748520299220886,0.2608217718046622,2.36,2.36,2.36,2.36,2.36,2.36,2.36,2.36,2.36,2.36,2.36,0.03,1.0738549767446537,1.1505997909179861,1.1854670304270936,1.2062983780732044,1.2206897902659712,1.2312067776075164,1.2395077861931683,1.2462004778715983,1.2517159900259704,1.2563927427317791,third
+272,12.12,96,4.4780927607511034e+17,3.59,1.2781522025001875,50.2,Ring,Enzyme,1,0.16393509741839274,0.11813833037689211,9.3,8.212323932605042,7.343903213430045,6.651640411296219,6.09947437623617,5.657716497123896,5.305440622559903,5.025355035468374,4.8019556784741795,4.62297705902185,4.4801639135297195,1.51,1.51,1.51,1.51,1.51,1.51,1.51,1.51,1.51,1.51,1.51,0.05,1.137676067394959,2.0060967865699557,2.698359588703782,3.250525623763831,3.6922835028761054,4.044559377440098,4.324644964531626,4.548044321525822,4.727022940978151,4.869836086470282,first
+277,9.92,100,3.202260520778534e+17,3.53,1.2612978709452054,148.3,Unknown,Base,0,0.044412460151240195,0.030011737169476832,4.75,1.9747699898296336,1.461212236754545,1.211539177445346,1.0580283846574468,0.9507728425935438,0.8714598851862277,0.8083737247628486,0.7573622169985034,0.7151829426962679,0.6792939560518325,4.93,4.93,4.93,4.93,4.93,4.93,4.93,4.93,4.93,4.93,4.93,3.64,4.565076670056788,4.7362625877484845,4.819486940851551,4.870657205114185,4.906409052468819,4.932846704937924,4.95387542507905,4.970879261000499,4.984939019101244,4.996902014649389,third
+278,3.49,97,2.853649805240883e+17,1.56,0.44468582126144574,41.5,Linear,None,0,0.1694286026778769,0.11384243101423355,9.66,8.435514787395661,7.365917420739991,6.431267782307819,5.615555015562528,4.904107602929637,4.2834308341301135,3.7412068061803767,3.2669891309576324,2.8528729598716804,2.491258885051164,0.12,0.12,0.12,0.12,0.12,0.12,0.12,0.12,0.12,0.12,0.12,0.9,2.1244852126043385,3.1940825792600087,4.12873221769218,4.944444984437473,5.655892397070364,6.276569165869886,6.818793193819623,7.293010869042368,7.707127040128319,8.068741114948836,first
+280,10.73,100,2.024485158935932e+17,2.0,0.6931471805599453,42.7,Branched,Enzyme,0,0.04471078046911883,0.033466289034877035,3.77,3.637535442661805,3.509725230857075,3.386405534358409,3.267418138644193,3.152611743214073,3.041839893835862,2.9349608255436204,2.8318374626376475,2.7323374186844864,2.6363329965169218,4.79,4.79,4.79,4.79,4.79,4.79,4.79,4.79,4.79,4.79,4.79,1.66,1.7924645573381945,1.9202747691429245,2.0435944656415908,2.1625818613558065,2.2773882567859274,2.3881601061641375,2.4950391744563793,2.5981625373623523,2.6976625813155137,2.793667003483078,first
+277,10.68,93,2.950508377596621e+17,3.89,1.358409157630355,61.8,Branched,Acid,0,0.8550699612958438,0.6151284569146107,6.08,3.0675627641828718,1.5471721302334367,0.7813557661688548,0.39480938181711367,0.1990970558739298,0.1005345780251782,0.05082029525250836,0.025641309255016842,0.01293872968322116,0.006542047951960473,1.42,1.42,1.42,1.42,1.42,1.42,1.42,1.42,1.42,1.42,1.42,2.44,5.452437235817128,6.972827869766563,7.738644233831146,8.125190618182888,8.320902944126072,8.419465421974822,8.469179704747491,8.494358690744983,8.50706127031678,8.513457952048041,first
+274,5.1,91,3.001711776862912e+17,1.48,0.3920420877760237,95.2,Unknown,Base,1,1.3450596717064303,1.1287812788651974,9.43,1.8178815037534748,1.8187606334219282,1.817129775569191,1.8203583402909211,1.8177160410705926,1.8182370148726767,1.8188274144035903,1.815638627243719,1.817290980855927,1.81805602069887,3.34,3.34,3.34,3.34,3.34,3.34,3.34,3.34,3.34,3.34,3.34,0.13,3.9360592481232635,3.935619683289037,3.9364351122154053,3.934820829854541,3.9361419794647046,3.9358814925636625,3.935586292798206,3.9371806863781416,3.936354509572037,3.935971989650566,second
+277,9.25,97,3.524854475959964e+16,1.24,0.2151113796169455,50.5,Linear,Enzyme,0,0.01798572365669134,0.010674010315019385,3.59,3.5387148465580656,3.4881623302454456,3.438331985046559,3.3892134925899096,3.340796681700751,3.293071534152869,3.2460281708647365,3.1996568506967096,3.153947970451026,3.1088920648718052,0.46,0.46,0.46,0.46,0.46,0.46,0.46,0.46,0.46,0.46,0.46,2.68,2.68,2.68,2.68,2.68,2.68,2.68,2.68,2.68,2.68,2.68,first
+272,9.1,93,3.169230020188899e+17,4.72,1.5518087995974639,158.7,Unknown,Enzyme,1,0.4371905635271324,0.267776818961482,9.7,4.973856815894367,4.9736883419338564,4.973343289266259,4.973674844370272,4.97372287453616,4.973713278010752,4.973431917384235,4.973626754500624,4.973711745111123,4.973967094751949,2.51,0.1469284079471834,0.14684417096692798,0.14667164463312948,0.14683742218513626,0.14686143726807996,0.14685663900537585,0.1467159586921173,0.14681337725031204,0.14685587255556104,0.14698354737597438,3.57,5.933071592052817,5.933155829033073,5.933328355366871,5.933162577814865,5.933138562731922,5.933143360994626,5.933284041307884,5.933186622749689,5.93314412744444,5.9330164526240265,third
+277,6.52,99,2.3465843784803264e+17,3.27,1.184789984909162,61.7,Ring,Enzyme,0,0.05024164646089471,0.03752630504800857,4.32,1.8454313950448766,1.3692654361566912,1.1363883153284497,0.9933909045520036,0.8926180263141237,0.8182774067384562,0.7594997289874599,0.7115910173630954,0.6718411812259897,0.6380684638228298,4.99,4.99,4.99,4.99,4.99,4.99,4.99,4.99,4.99,4.99,4.99,4.93,5.754856201651707,5.913578187947769,5.991203894890516,6.038869698482665,6.072460657895291,6.097240864420513,6.116833423670846,6.1328029942123,6.1460529395913355,6.157310512059055,third
+280,12.28,94,4.02819938494186e+17,2.87,1.0543120297715298,158.0,Linear,Enzyme,1,1.1710157954231197,0.9942635385976992,8.1,2.3251409609879303,2.3273623776290546,2.327056270804094,2.325591090115519,2.323291862367951,2.323772824430099,2.3248670792321384,2.32543877588656,2.3285864789272335,2.326230607482279,3.68,3.68,3.68,3.68,3.68,3.68,3.68,3.68,3.68,3.68,3.68,3.48,6.367429519506035,6.366318811185472,6.366471864597953,6.36720445494224,6.368354068816023,6.36811358778495,6.367566460383929,6.367280612056717,6.365706760536381,6.366884696258858,second
+271,12.97,96,3.386834012071926e+17,1.51,0.412109650826833,181.3,Linear,Enzyme,0,0.10600874566513167,0.07946972683311093,9.08,8.341700648120918,7.663434038197764,7.040261873726758,6.4675994529855885,5.941520777973173,5.458348589079851,5.014618633704321,4.607079666253638,4.232693448143214,3.888634747796823,3.29,3.29,3.29,3.29,3.29,3.29,3.29,3.29,3.29,3.29,3.29,2.21,2.21,2.21,2.21,2.21,2.21,2.21,2.21,2.21,2.21,2.21,first
+270,10.24,90,3.874523575388397e+17,0.94,-0.06187540371808753,158.3,Linear,Base,0,1.4998325839965214,0.9900461324231359,5.66,0.4541206903401228,0.28470991823981207,0.2131783250721591,0.17242124233208994,0.14536250165846737,0.12627280791496986,0.1117367684801923,0.10034913043675459,0.09125250682023649,0.08373278437776603,3.2,0.5970603451700616,0.5123549591199063,0.47658916253607975,0.4562106211660452,0.4426812508292339,0.43313640395748515,0.4258683842400964,0.4201745652183775,0.41562625341011844,0.4118663921888832,0.09,2.6929396548299382,2.7776450408800937,2.81341083746392,2.8337893788339548,2.847318749170766,2.8568635960425146,2.8641316157599035,2.8698254347816223,2.8743737465898813,2.8781336078111166,third
+277,13.21,99,1.3252424194176528e+17,3.93,1.3686394258811698,108.7,Ring,None,0,0.028374160214294925,0.020991119871286903,2.26,2.209277380684334,2.159693161868322,2.1112217825189923,2.0638382349790887,2.0175181552618895,1.9722377025444424,1.9279735428261344,1.8847028489286919,1.8424033004961822,1.8010530839950123,4.64,4.64,4.64,4.64,4.64,4.64,4.64,4.64,4.64,4.64,4.64,0.79,0.840722619315666,0.8903068381316778,0.9387782174810074,0.9861617650209115,1.0324818447381103,1.0777622974555574,1.1220264571738656,1.1652971510713082,1.2075966995038176,1.2489469160049878,first
+270,1.26,90,1.7211020317680746e+17,1.77,0.5709795465857378,169.2,Ring,Enzyme,0,0.6662405989798652,0.3611918512854519,5.02,4.487007520816107,3.954015041632215,3.421022562448323,2.88803008326443,2.355037604080538,1.8220451248966447,1.289052645712752,0.7560601665288584,0.2230676873449653,-0.3099247918389274,4.85,4.85,4.85,4.85,4.85,4.85,4.85,4.85,4.85,4.85,4.85,0.39,0.9229924791838925,1.4559849583677844,1.9889774375516769,2.5219699167355696,3.0549623959194614,3.587954875103355,4.120947354287248,4.653939833471141,5.186932312655034,5.719924791838927,zero
+274,6.58,97,3.427414267132755e+17,1.63,0.4885800148186709,120.1,Unknown,None,1,0.11027412422729455,0.07299296067255572,2.74,2.7780517812008294,2.8109135313009515,2.8392912228386837,2.863822016400964,2.8850487897189856,2.9033642493997474,2.9191351007491995,2.93270805425505,2.944409825586767,2.9545471355955746,1.44,1.44,1.44,1.44,1.44,1.44,1.44,1.44,1.44,1.44,1.44,4.84,4.80194821879917,4.769086468699048,4.740708777161316,4.716177983599036,4.6949512102810145,4.676635750600253,4.660864899250801,4.64729194574495,4.635590174413234,4.6254528644044255,first
+280,11.06,91,4.9087188172539e+17,3.72,1.3137236682850553,185.5,Linear,Acid,1,5.177224767724509,4.6341010299615535,7.12,2.3634719984089547,2.366703378679912,2.3653264503551528,2.3652073683949117,2.363397776730398,2.3631066222655903,2.3612897801164445,2.361508909976366,2.3619259848867884,2.3642107812468414,0.9,0.9,0.9,0.9,0.9,0.9,0.9,0.9,0.9,0.9,0.9,3.86,6.238264000795522,6.236648310660045,6.237336774822426,6.237396315802546,6.2383011116348035,6.2384466888672065,6.23935510994178,6.239245545011819,6.239037007556608,6.237894609376582,second
+275,12.76,94,2.926356883268319e+17,1.02,0.01980262729617973,65.3,Linear,None,0,0.40825616593266256,0.29603224660634564,1.38,0.9954622242035978,0.718071716889584,0.5174916547901156,0.37359717671184683,0.2698607253739693,0.19449953772804118,0.14040796429558616,0.10140259832597819,0.0731386571690511,0.0527750264139054,0.83,0.83,0.83,0.83,0.83,0.83,0.83,0.83,0.83,0.83,0.83,2.34,2.724537775796402,3.001928283110416,3.2025083452098846,3.346402823288153,3.4501392746260304,3.5255004622719586,3.5795920357044135,3.6185974016740214,3.6468613428309484,3.6672249735860944,first
+278,1.56,96,3.4969702544667492e+16,4.01,1.3887912413184778,138.4,Unknown,Enzyme,0,0.0320021506847574,0.01663408091936863,3.76,3.664959322925336,3.572320969572721,3.4820242126029735,3.3940097596248497,3.3082200107281614,3.2245988338336278,3.143091427099837,3.0636443189232465,2.9862053679381826,2.9107237630168408,0.48,0.48,0.48,0.48,0.48,0.48,0.48,0.48,0.48,0.48,0.48,3.79,3.885040677074664,3.9776790304272787,4.067975787397026,4.15599024037515,4.241779989271839,4.3254011661663725,4.4069085729001625,4.486355681076754,4.563794632061817,4.639276236983159,first
+273,7.72,100,2.7161622895482928e+17,1.1,0.09531017980432493,182.1,Unknown,Enzyme,1,0.01993870273004977,0.013232338831322098,3.69,3.560566358738249,3.4448261030117733,3.3409178677996993,3.2472617103494086,3.1627048794960295,3.0862206724391283,3.016875156941224,2.953827171327788,2.896328324487245,2.8437229958709733,2.91,2.780566358738249,2.6648261030117735,2.5609178677996995,2.4672617103494088,2.38270487949603,2.306220672439129,2.236875156941224,2.173827171327788,2.1163283244872453,2.0637229958709735,3.24,3.369433641261751,3.485173896988227,3.589082132200301,3.6827382896505916,3.76729512050397,3.8437793275608714,3.9131248430587764,3.9761728286722122,4.033671675512755,4.086277004129027,second
+274,13.23,96,1.022007497489261e+17,4.99,1.6074359097634274,195.2,Unknown,Enzyme,0,0.05100413147204192,0.02943437678174118,9.89,5.491311231097785,3.7948292478860637,2.9005743705275586,2.345677342262868,1.9709911937979885,1.6986772233595442,1.4916127140459834,1.331127684561377,1.201602962648107,1.0942976646228297,3.66,3.66,3.66,3.66,3.66,3.66,3.66,3.66,3.66,3.66,3.66,3.94,6.139344384451107,6.987585376056968,7.43471281473622,7.712161328868566,7.899504403101006,8.035661388320229,8.139193642977009,8.219436157719311,8.284198518675947,8.337851167688585,second
+274,13.09,96,2.68291205927364e+17,1.13,0.12221763272424911,23.3,Unknown,None,0,0.13389295062442275,0.08291504697953196,7.18,6.450675061234051,5.795435760221601,5.206537547883254,4.677015028384041,4.201357587929952,3.774403134091317,3.391285847294393,3.0474361808213573,2.7385808608103144,2.46074288625529,1.94,1.94,1.94,1.94,1.94,1.94,1.94,1.94,1.94,1.94,1.94,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,first
+276,8.76,96,3.712964975752965e+17,1.16,0.14842000511827322,20.9,Linear,None,0,0.2514746541311498,0.16784641897176983,8.01,6.550292626951627,5.356391881174397,4.37825706828857,3.579485773828439,2.928618320137714,2.397021045445479,1.960263050160618,1.602843351310682,1.310926548474082,1.0722454662721854,2.66,2.66,2.66,2.66,2.66,2.66,2.66,2.66,2.66,2.66,2.66,3.77,5.229707373048373,6.4236081188256025,7.401742931711429,8.20051422617156,8.851381679862286,9.38297895455452,9.819736949839383,10.177156648689317,10.469073451525919,10.707754533727815,first
+272,5.58,92,1.0379886237601602e+17,3.92,1.366091653802371,93.6,Ring,None,1,0.22282076740151305,0.16671321780503923,6.62,2.771313611620753,2.6750340275066518,2.6676210505727935,2.667028232246111,2.66727708402942,2.6652021521434754,2.6684488462145532,2.668036203228865,2.667331025100211,2.6670037520827186,2.58,0.6556568058103763,0.607517013753326,0.6038105252863968,0.6035141161230556,0.6036385420147101,0.6026010760717376,0.6042244231072764,0.6040181016144325,0.6036655125501055,0.603501876041359,3.76,5.6843431941896245,5.732482986246674,5.736189474713603,5.736485883876945,5.73636145798529,5.7373989239282635,5.735775576892724,5.735981898385568,5.736334487449895,5.736498123958642,third
+275,7.77,90,3.3991096447654957e+17,3.22,1.169381359556317,35.2,Linear,Enzyme,1,2.727562180188117,2.237423597890134,1.41,1.1364182926103892,1.1360202218721047,1.1368822554745042,1.1366117044423079,1.1380744642307343,1.1370528472086325,1.1358821104442531,1.1362025310068296,1.1359636976875553,1.1369443351100885,2.68,2.406418292610389,2.4060202218721054,2.4068822554745046,2.4066117044423083,2.408074464230735,2.407052847208633,2.405882110444253,2.4062025310068296,2.4059636976875556,2.4069443351100888,3.06,3.333581707389611,3.333979778127895,3.3331177445254956,3.333388295557692,3.3319255357692654,3.332947152791367,3.3341178895557473,3.3337974689931706,3.3340363023124446,3.3330556648899115,second
+275,7.7,92,1.7445767272470326e+17,4.31,1.4609379041156563,123.6,Branched,Enzyme,1,0.5837105588530813,0.327935990906022,6.19,1.5155554328500382,1.502462578508314,1.5012837812286262,1.5024753753501607,1.5030655558472614,1.501147607775666,1.5026101493337203,1.503024980506414,1.5014711391084192,1.5026943978533605,3.48,1.1427777164250188,1.1362312892541566,1.1356418906143129,1.1362376876750802,1.1365327779236303,1.1355738038878327,1.1363050746668597,1.1365124902532067,1.1357355695542093,1.13634719892668,2.22,4.557222283574982,4.563768710745844,4.5643581093856875,4.56376231232492,4.56346722207637,4.5644261961121675,4.563694925333141,4.563487509746794,4.5642644304457916,4.563652801073321,third
+273,7.58,90,1.8531133055801715e+17,4.77,1.5623463049002497,164.6,Ring,Enzyme,1,1.1144716855004346,0.7543338258405142,7.63,2.184468653923324,2.1822999776305005,2.1854725254623153,2.182402016964088,2.185794928563177,2.1821075331586157,2.1856786678437046,2.181801196581642,2.18521945113559,2.1839956755207957,3.62,3.62,3.62,3.62,3.62,3.62,3.62,3.62,3.62,3.62,3.62,4.32,7.042765673038338,7.04385001118475,7.042263737268843,7.043798991517956,7.042102535718412,7.043946233420693,7.042160666078148,7.04409940170918,7.042390274432206,7.0430021622396035,second
+277,10.7,98,9.605465317528664e+16,2.4,0.8754687373538999,185.4,Linear,Acid,0,0.03174867568383628,0.018387382897802645,9.74,8.062048106258102,7.821820023634919,7.773241104582348,7.762866041812959,7.760621798073662,7.760135393266683,7.76002943791823,7.760006662769806,7.760001729528604,7.760000427120055,0.99,0.15102405312905093,0.030910011817459823,0.0066205522911743095,0.0014330209064798635,0.00031089903683096136,6.769663334154342e-05,1.471895911512137e-05,3.3313849030900574e-06,8.64764301861212e-07,2.1356002763311023e-07,3.79,4.628975946870948,4.74908998818254,4.773379447708826,4.77856697909352,4.779689100963169,4.7799323033666585,4.779985281040885,4.779996668615097,4.779999135235698,4.779999786439973,third
+277,6.46,97,3.630286331361268e+17,3.91,1.3635373739972745,131.6,Ring,Enzyme,0,0.1852369429598806,0.12502522407303368,1.91,1.6469310707611116,1.4200348508196645,1.2241939661243038,1.0554335493590616,0.9101577442786899,0.7850606941842099,0.6771265419229142,0.5838635177540372,0.5034473900113356,0.43411005998083174,2.26,2.26,2.26,2.26,2.26,2.26,2.26,2.26,2.26,2.26,2.26,0.31,0.5730689292388883,0.7999651491803352,0.9958060338756961,1.1645664506409381,1.3098422557213099,1.43493930581579,1.5428734580770855,1.6361364822459628,1.716552609988664,1.7858899400191681,first
+273,1.12,94,1.7689711913614656e+17,2.44,0.8919980393051105,144.1,Unknown,Acid,0,0.18260702134845067,0.15771192912821436,6.98,2.302486645982463,1.3785309910179784,0.983491403477169,0.7651664188104292,0.6254216193969875,0.5295413676644442,0.45840955445722187,0.40458136304001646,0.36220721491953084,0.32754511964903826,3.75,3.75,3.75,3.75,3.75,3.75,3.75,3.75,3.75,3.75,3.75,4.14,6.478756677008769,6.940734504491012,7.138254298261416,7.2474167905947855,7.317289190301507,7.365229316167778,7.400795222771389,7.427709318479992,7.448896392540235,7.466227440175482,second
+277,6.37,90,1.546918560880357e+17,2.97,1.0885619528146082,193.2,Unknown,None,1,1.6493423221327865,1.2334912316813595,8.32,1.6763932421148107,1.6746746311212861,1.6743861292944995,1.6760811824353328,1.6771212831082223,1.673928691722014,1.6747610810204716,1.6769506148718893,1.6751564500079579,1.6755267787126338,4.79,4.79,4.79,4.79,4.79,4.79,4.79,4.79,4.79,4.79,4.79,4.07,6.284535585961731,6.285108456292908,6.285204623568503,6.284639605854892,6.284292905630596,6.285357102759333,6.285079639659849,6.284349795042712,6.284947849997358,6.2848244070958,third
+280,10.44,90,1.3458684388138085e+17,1.77,0.5709795465857378,147.5,Ring,Base,0,2.1811749285536886,1.1312783574423606,3.22,0.26383237695303574,0.13765443476616593,0.09310939788121021,0.07036979504328825,0.05648820913794153,0.04725918210288718,0.04056810950639529,0.03554299312694695,0.031662437664486086,0.028520637884178503,4.02,4.02,4.02,4.02,4.02,4.02,4.02,4.02,4.02,4.02,4.02,0.6,2.078083811523482,2.141172782616917,2.163445301059395,2.1748151024783557,2.181755895431029,2.1863704089485565,2.1897159452468022,2.1922285034365268,2.194168781167757,2.195739681057911,second
+270,1.46,97,3.6858445702868096e+17,4.89,1.5871923034867805,118.5,Linear,Enzyme,0,0.06310752899771091,0.03989654545769539,8.83,1.783936364084678,1.2736364641561022,1.0438841618162769,0.9056889325161505,0.8108673962519808,0.7404502910470503,0.6863123160185565,0.6422260444608482,0.6055153348324154,0.5744578053443333,0.79,0.79,0.79,0.79,0.79,0.79,0.79,0.79,0.79,0.79,0.79,3.94,6.288687878638441,6.458787845281298,6.5353719460612405,6.581437022494615,6.613044201249339,6.636516569650983,6.654562561327147,6.6692579851797165,6.681494888389194,6.691847398218554,third
+278,11.39,97,3.353158950157549e+17,4.2,1.4350845252893227,78.8,Unknown,Base,0,0.19908575832907915,0.16447381479661327,8.53,2.3012179535171793,1.3291276514013939,0.9350836880333977,0.7213524453337608,0.5865772636250023,0.4947910143467781,0.42765869883729396,0.37630159815956343,0.33634328760673665,0.3040653727971282,4.07,4.07,4.07,4.07,4.07,4.07,4.07,4.07,4.07,4.07,4.07,2.07,5.184391023241409,5.670436174299302,5.8674581559833,5.974323777333119,6.041711368187498,6.0876044928266095,6.121170650581353,6.146849200920218,6.166828356196631,6.182967313601435,second
+279,10.28,92,1.0599503684145278e+17,4.31,1.4609379041156563,43.6,Ring,Base,1,0.6314481578458212,0.4104953724469218,4.98,4.286499974273291,3.9904601647796394,3.8598224348399763,3.8017594561131225,3.778309708316024,3.7664457367652897,3.7626505533096566,3.7602328653185495,3.7591945913413416,3.7591145288810015,1.5,1.5,1.5,1.5,1.5,1.5,1.5,1.5,1.5,1.5,1.5,4.56,5.253500025726709,5.549539835220361,5.680177565160024,5.738240543886878,5.761690291683976,5.77355426323471,5.777349446690344,5.7797671346814505,5.780805408658659,5.7808854711189985,first
+277,3.14,90,3.2301732275601306e+17,4.77,1.5623463049002497,109.4,Unknown,Base,1,3.44404776486953,2.7055000539545797,1.27,0.8652482418824736,0.8653607346486818,0.8654413226985166,0.8653429112191332,0.8648694259233531,0.8647200810288835,0.8651106992041888,0.8654456453425623,0.865534963236123,0.8652008350707778,0.52,0.3176241209412368,0.3176803673243409,0.3177206613492583,0.3176714556095666,0.3174347129616766,0.3173600405144418,0.3175553496020944,0.31772282267128116,0.3177674816180615,0.3176004175353889,0.1,0.30237587905876323,0.30231963267565914,0.30227933865074175,0.30232854439043344,0.30256528703832347,0.3026399594855583,0.30244465039790563,0.3022771773287189,0.30223251838193854,0.3023995824646111,third
+271,11.16,98,1.4580830284217907e+17,4.65,1.536867219599265,121.9,Ring,None,0,0.018785407357495967,0.014936211006117132,2.72,2.7049716741140033,2.6899433482280064,2.67491502234201,2.659886696456013,2.644858370570016,2.6298300446840193,2.6148017187980224,2.599773392912026,2.584745067026029,2.569716741140032,1.46,1.46,1.46,1.46,1.46,1.46,1.46,1.46,1.46,1.46,1.46,4.21,4.225028325885996,4.240056651771994,4.25508497765799,4.2701133035439875,4.285141629429984,4.3001699553159805,4.315198281201978,4.330226607087974,4.345254932973972,4.360283258859968,zero
+277,10.58,98,4.000695447236936e+17,3.1,1.1314021114911006,30.1,Branched,Enzyme,1,0.1322338669344186,0.07514408741523915,3.46,3.383626460930593,3.318931622414973,3.264129785181429,3.2175206830555307,3.1779261763339757,3.144497321453488,3.1163971390738414,3.092800614077859,3.072894695571412,3.0558782968834226,3.69,3.69,3.69,3.69,3.69,3.69,3.69,3.69,3.69,3.69,3.69,4.71,4.786373539069407,4.851068377585027,4.905870214818571,4.952479316944469,4.992073823666024,5.025502678546512,5.0536028609261585,5.077199385922142,5.097105304428588,5.114121703116577,first
+270,2.18,100,2.0992106914737466e+17,2.26,0.8153648132841944,23.5,Linear,None,1,0.009444834167951492,0.005081831196999153,9.2,9.135091993325648,9.070933938049109,9.007517168385673,8.944833116729434,8.882873321431171,8.821629416656668,8.761093130750645,8.701256286236756,8.6421107998176,8.583648682374712,3.96,3.96,3.96,3.96,3.96,3.96,3.96,3.96,3.96,3.96,3.96,1.04,1.1049080066743509,1.1690660619508912,1.232482831614326,1.295166883270566,1.3571266785688278,1.4183705833433309,1.4789068692493554,1.5387437137632436,1.5978892001823994,1.6563513176252878,first
+275,9.41,91,4.086215842076428e+17,0.84,-0.1743533871447778,184.7,Unknown,None,1,2.1172872568299352,1.820851907229774,5.52,2.7797867493565174,2.7790745868221323,2.779122512392745,2.779278912519816,2.78095035289451,2.7798103949927184,2.779432756002685,2.778790924536279,2.77980291243241,2.7799747192309576,1.8,0.4298933746782593,0.42953729341106706,0.4295612561963738,0.4296394562599093,0.4304751764472564,0.4299051974963606,0.42971637800134355,0.4293954622681406,0.4299014562162065,0.42998735961548024,2.49,3.8601066253217406,3.8604627065889323,3.860438743803626,3.8603605437400903,3.8595248235527433,3.8600948025036397,3.8602836219986565,3.86060453773186,3.8600985437837934,3.8600126403845194,third
+276,6.59,98,4.79735437932376e+17,3.11,1.1346227261911428,65.8,Linear,None,1,0.13590943685442644,0.09053808695973647,4.08,3.9319547691525205,3.808448440533957,3.705293337728267,3.6185044645363647,3.5460171203648434,3.486054252148239,3.4367770701676785,3.3962850480508817,3.3626159227721595,3.3338044123953057,3.82,3.82,3.82,3.82,3.82,3.82,3.82,3.82,3.82,3.82,3.82,3.89,4.03804523084748,4.1615515594660435,4.264706662271733,4.351495535463636,4.423982879635156,4.483945747851761,4.533222929832322,4.5737149519491185,4.607384077227841,4.636195587604695,first
+271,3.91,98,1.4106703240585238e+17,2.15,0.7654678421395714,87.0,Ring,Base,0,0.018174559451016637,0.016041563091740808,4.41,4.2090449764297535,4.02839337047383,3.8650652471093827,3.7166566189149477,3.581406957901746,3.4577384124955266,3.344235655058642,3.2396458818900435,3.142878813225285,3.05300669323652,3.31,3.1090449764297543,2.92839337047383,2.765065247109383,2.616656618914948,2.481406957901746,2.357738412495527,2.244235655058642,2.139645881890044,2.0428788132252853,1.9530066932365204,3.08,3.280955023570246,3.46160662952617,3.624934752890617,3.773343381085052,3.908593042098254,4.032261587504474,4.145764344941358,4.250354118109956,4.347121186774714,4.43699330676348,second
+279,10.33,93,6.780136777664188e+16,2.5,0.9162907318741551,120.5,Ring,None,0,0.2624598835245064,0.1867351180867756,7.47,7.118364677866848,7.042351744295979,7.02510643698143,7.0211727000088455,7.020268409862185,7.020061574064502,7.020014182899053,7.020003175876135,7.020000730528056,7.020000320719871,0.45,0.0983646778668483,0.022351744295979144,0.005106436981429919,0.0011727000088454973,0.0002684098621851405,6.157406450184709e-05,1.4182899052957923e-05,3.1758761344307997e-06,7.305280553106818e-07,3.207198701085543e-07,1.81,2.1616353221331517,2.237648255704021,2.254893563018571,2.258827299991155,2.2597315901378154,2.259938425935499,2.259985817100948,2.2599968241238666,2.2599992694719457,2.259999679280131,second
+276,3.45,100,4.278236358180526e+17,0.53,-0.6348782724359695,196.5,Unknown,Enzyme,1,0.050697556914720825,0.03459467791327673,8.92,8.829120287044924,8.76833464037472,8.727241327600114,8.699751316037743,8.681132999633075,8.668355580016483,8.659805573791319,8.653978425103702,8.649979617906753,8.647272439337087,0.46,0.36912028704492417,0.3083346403747213,0.26724132760011443,0.23975131603774283,0.22113299963307576,0.20835558001648383,0.19980557379131994,0.19397842510370178,0.18997961790675333,0.18727243933708582,2.02,2.1108797129550756,2.171665359625279,2.2127586723998856,2.2402486839622573,2.2588670003669242,2.271644419983516,2.28019442620868,2.2860215748962984,2.2900203820932465,2.292727560662914,second
+277,2.68,97,1.0330426283160469e+17,1.45,0.371563556432483,29.5,Linear,Base,0,0.0527114505441091,0.027817609920852627,5.39,5.167433903557712,4.954058122376702,4.749492553126861,4.5533715670872965,4.365349224441047,4.1850927443026595,4.01228158665319,3.846607452340197,3.68777428307775,3.535498261446424,4.43,4.43,4.43,4.43,4.43,4.43,4.43,4.43,4.43,4.43,4.43,4.25,4.4725660964422875,4.685941877623297,4.890507446873139,5.086628432912704,5.274650775558953,5.454907255697339,5.62771841334681,5.793392547659803,5.95222571692225,6.104501738553576,first
+275,2.61,96,7.106154199342254e+16,3.35,1.208960345836975,20.4,Ring,None,0,0.04133691664424494,0.027418218100579112,7.82,5.158916923145027,3.8477162157249793,3.066921839926274,2.5526719832392764,2.184035974123123,1.9086806435113357,1.6967487787840845,1.5258447206562593,1.3859974324591027,1.2696434665857963,0.43,0.43,0.43,0.43,0.43,0.43,0.43,0.43,0.43,0.43,0.43,0.72,2.0505415384274865,2.70614189213751,3.096539080036863,3.3536640083803615,3.5379820129384387,3.6756596782443323,3.781625610607958,3.8670776396718702,3.937001283770449,3.995178266707102,second
+280,8.4,93,6.4810059361795464e+16,4.93,1.5953389880545987,93.1,Branched,Enzyme,0,0.2895031123552028,0.22803270571556689,8.17,5.997681294083636,5.573090408204495,5.462874056763303,5.432167438719076,5.423462993671093,5.420988114584899,5.420282461339755,5.420080823912556,5.420023247165403,5.420006659804281,2.75,0.5776812940836354,0.1530904082044947,0.042874056763302984,0.012167438719076802,0.0034629936710933087,0.0009881145848993924,0.00028246133975621277,8.08239125573301e-05,2.324716540482983e-05,6.659804282794177e-06,4.03,6.2023187059163645,6.626909591795505,6.7371259432366974,6.767832561280923,6.7765370063289065,6.7790118854151,6.779717538660244,6.779919176087443,6.779976752834596,6.779993340195718,second
+277,6.99,98,1.3400665411270011e+17,3.81,1.3376291891386096,190.0,Unknown,Enzyme,1,0.04429284433661113,0.02346006034252531,1.18,1.2061631657460716,1.2309459630093247,1.2544212194903788,1.2766583492443917,1.2977225735236664,1.3176751047221111,1.3365744039890926,1.354476188173912,1.3714334298258057,1.3874963571939452,0.32,0.32,0.32,0.32,0.32,0.32,0.32,0.32,0.32,0.32,0.32,3.66,3.6338368342539282,3.6090540369906754,3.5855787805096213,3.563341650755609,3.542277426476334,3.522324895277889,3.5034255960109077,3.4855238118260883,3.4685665701741946,3.452503642806055,first
+280,9.11,91,2.331441121495233e+17,3.9,1.3609765531356006,175.3,Unknown,Base,1,2.458970490684798,1.8709074199088822,7.24,1.652717980722364,1.6515330637654733,1.6511068986491826,1.6499399030082342,1.649341317479793,1.6489123590335124,1.6488227721270312,1.6493231824291397,1.6503040744421682,1.6515037663051777,4.45,4.45,4.45,4.45,4.45,4.45,4.45,4.45,4.45,4.45,4.45,4.04,5.902427339759212,5.902822312078179,5.902964367116942,5.903353365663926,5.903552894173409,5.903695880322169,5.903725742624331,5.903558939190295,5.903231975185952,5.902832077898284,third
+272,8.17,95,1.885214386241131e+17,3.52,1.2584609896100056,41.0,Unknown,Base,0,0.10739539419974974,0.05755447215808909,3.38,2.1462950223971013,1.5713852465227385,1.238065660985333,1.0214673733221429,0.8699364490852165,0.7565675771673178,0.6701524248903012,0.6014755377849313,0.5451331202522929,0.49844632152146573,1.83,1.83,1.83,1.83,1.83,1.83,1.83,1.83,1.83,1.83,1.83,3.6,4.216852488801449,4.504307376738631,4.670967169507334,4.779266313338929,4.855031775457392,4.9117162114163415,4.95492378755485,4.989262231107535,5.017433439873854,5.040776839239268,second
+279,2.68,96,1.3493301903966203e+17,2.89,1.0612565021243408,31.6,Ring,None,1,0.1433044355256297,0.07340124587052918,6.56,6.028557597163978,5.581713286950711,5.205133857939457,4.888142801397451,4.622446147095479,4.400179984933835,4.213910464942321,4.056638920647674,3.9236561767857445,3.8118445368984184,3.53,3.53,3.53,3.53,3.53,3.53,3.53,3.53,3.53,3.53,3.53,2.95,3.4814424028360222,3.9282867130492893,4.3048661420605425,4.621857198602549,4.887553852904521,5.109820015066164,5.296089535057678,5.453361079352326,5.586343823214255,5.698155463101582,first
+272,11.17,96,3.229675721015823e+16,0.94,-0.06187540371808753,91.9,Ring,Base,0,0.011823274600183623,0.008704235231015748,4.2,3.8908569663622288,3.6241139669152123,3.391227296198077,3.185823081321569,3.0042659810869274,2.8432404205299484,2.6996365533821365,2.570550262070702,2.453283157718563,2.345342580144343,2.93,2.93,2.93,2.93,2.93,2.93,2.93,2.93,2.93,2.93,2.93,2.5,2.6545715168188857,2.787943016542394,2.9043863519009614,3.0070884593392155,3.0978670094565364,3.178379789735026,3.250181723308932,3.314724868964649,3.3733584211407184,3.4273287099278287,second
+279,4.08,95,2.6988850273523485e+17,2.12,0.7514160886839212,94.7,Unknown,Enzyme,0,0.4411166728076977,0.39335503277212935,8.38,5.888170102082105,4.1361454083711084,2.90533359272998,2.0440720266659738,1.4352573657919363,1.0088851170293605,0.7097058018343798,0.49821994192054986,0.35047976463391267,0.24647220547062415,4.48,4.48,4.48,4.48,4.48,4.48,4.48,4.48,4.48,4.48,4.48,3.2,5.691829897917895,7.443854591628892,8.67466640727002,9.535927973334026,10.144742634208063,10.571114882970639,10.870294198165618,11.081780058079449,11.229520235366087,11.333527794529374,first
+271,4.99,96,1.3384591489676842e+17,3.56,1.269760544863939,96.4,Ring,None,0,0.04189410375599787,0.027057134138013934,5.54,4.040545869123808,3.1830843539521814,2.6249781970469135,2.232697297422085,1.942029291775232,1.720417765311519,1.5430043484853424,1.3983128774327476,1.2787046688131807,1.177915360565178,3.39,3.39,3.39,3.39,3.39,3.39,3.39,3.39,3.39,3.39,3.39,1.61,2.359727065438096,2.788457823023909,3.067510901476543,3.2636513512889573,3.408985354112384,3.5197911173442407,3.6084978257573286,3.680843561283626,3.7406476655934098,3.791042319717411,second
+277,5.57,91,2.800781715433001e+17,2.7,0.9932517730102834,76.8,Ring,Enzyme,0,1.9343858065681419,1.6650555999796384,7.69,5.880156130374424,5.880000011666185,5.879999453438252,5.879999710919572,5.880000738750839,5.88000096138479,5.879999679264829,5.879999136996398,5.88000105877547,5.880000559284915,1.81,0.00015613037442327167,1.1666185005331308e-08,-5.46561748388613e-07,-2.890804294272527e-07,7.387508376141193e-07,9.61384788530959e-07,-3.2073517255141025e-07,-8.630036039035189e-07,1.0587754684256824e-06,5.592849143718672e-07,3.21,5.019843869625577,5.019999988333815,5.020000546561748,5.0200002890804285,5.019999261249161,5.01999903861521,5.020000320735171,5.020000863003602,5.0199989412245305,5.019999440715085,second
+275,6.27,98,4.099158867196381e+17,3.38,1.2178757094949273,164.8,Branched,Enzyme,0,0.09942513530491139,0.0727322702857634,6.25,3.1454052711564495,2.097575069062764,1.5753379771224783,1.260167808950921,1.0507121502117027,0.9001371424297693,0.7884772883374818,0.7008092560871276,0.6305315997302954,0.5730771606013012,2.67,2.67,2.67,2.67,2.67,2.67,2.67,2.67,2.67,2.67,2.67,3.72,5.272297364421775,5.796212465468618,6.057331011438761,6.214916095524539,6.319643924894148,6.394931428785115,6.450761355831259,6.494595371956435,6.529734200134851,6.5584614196993485,second
+274,12.25,91,4.430696962950328e+17,0.84,-0.1743533871447778,50.4,Branched,None,0,1.98538442243278,1.6943091628566136,5.45,0.31501162924947906,0.1862848787891765,0.13444071185847678,0.1057946565297492,0.08761679336513126,0.07478153249039342,0.06536151690711463,0.058121568173547626,0.05230271450617656,0.04756241336367418,3.3,0.7325058146247388,0.6681424393945875,0.6422203559292378,0.627897328264874,0.6188083966825649,0.6123907662451961,0.6076807584535567,0.6040607840867731,0.6011513572530877,0.5987812066818364,1.81,4.377494185375261,4.4418575606054125,4.467779644070762,4.482102671735126,4.491191603317435,4.497609233754804,4.502319241546443,4.5059392159132265,4.508848642746912,4.511218793318163,third
+275,12.03,100,3.0586467637012454e+17,1.51,0.412109650826833,126.6,Branched,Enzyme,1,0.030933478048990225,0.021154652619507757,5.06,2.330263300097038,1.772264504164722,1.5114290010404194,1.3588149860573269,1.259661394703005,1.1911065127917717,1.1427786871241716,1.1065987605140264,1.079501616891591,1.058987246791975,1.54,1.54,1.54,1.54,1.54,1.54,1.54,1.54,1.54,1.54,1.54,0.05,0.9599122333009871,1.1459118319450923,1.2328569996531933,1.2837283379808908,1.3167795350989981,1.3396311624027426,1.355740437625276,1.367800413161991,1.3768327943694694,1.3836709177360083,third
+279,12.81,98,1.1890180568195277e+17,2.99,1.095273387402595,171.4,Ring,Base,1,0.053318074563426375,0.04732291683967544,8.18,7.873135002370387,7.5900031947520565,7.3286920867338505,7.087566624138661,6.86513351856401,6.659977639417298,6.470762013915802,6.296227827086678,6.1351944217669585,5.986559298603553,0.7,0.7,0.7,0.7,0.7,0.7,0.7,0.7,0.7,0.7,0.7,0.78,1.086864997629612,1.369996805247943,1.6313079132661494,1.8724333758613394,2.09486648143599,2.3000223605827017,2.4892379860841967,2.663772172913321,2.824805578233041,2.973440701396447,first
+276,2.64,93,2.5068230695533984e+16,0.57,-0.5621189181535413,74.7,Ring,Base,0,0.06276035362385159,0.03487200948635034,8.24,7.258117479727112,6.6475251009164,6.243117051363485,5.963487197796742,5.763679390496791,5.619347249088618,5.5122426182789015,5.432401251501218,5.372724210508021,5.327399520343605,3.06,2.0781174797271125,1.4675251009163999,1.063117051363485,0.7834871977967426,0.5836793904967921,0.43934724908861844,0.33224261827890184,0.2524012515012185,0.19272421050802102,0.14739952034360637,2.05,3.0318825202728874,3.6424748990835996,4.046882948636514,4.326512802203257,4.526320609503208,4.6706527509113815,4.777757381721098,4.8575987484987815,4.9172757894919785,4.962600479656394,second
+272,2.76,93,4.5141892258910694e+17,3.97,1.3787660946990992,198.2,Ring,Base,0,0.622725683829599,0.482238357159162,6.95,6.451819452936321,5.9536389058726416,5.455458358808961,4.957277811745282,4.459097264681603,3.960916717617923,3.4627361705542437,2.964555623490564,2.4663750764268837,1.9681945293632044,0.61,0.61,0.61,0.61,0.61,0.61,0.61,0.61,0.61,0.61,0.61,0.76,1.2581805470636795,1.7563610941273584,2.254541641191038,2.752722188254717,3.2509027353183964,3.7490832823820766,4.247263829445756,4.745444376509436,5.243624923573116,5.741805470636796,zero
+273,7.93,94,4.196624652034032e+16,2.76,1.0152306797290584,140.0,Unknown,Base,0,0.04332083705872081,0.024575802901658166,9.5,2.14119483762726,1.5340211189910387,1.2579150980797866,1.0911253096664533,0.9777619710844414,0.8932528991228765,0.8271134934739651,0.7743362496746169,0.7306747402010292,0.6932370507773907,0.85,0.85,0.85,0.85,0.85,0.85,0.85,0.85,0.85,0.85,0.85,4.89,7.342935054124247,7.545326293669654,7.637361633973405,7.6929582301111825,7.73074600963852,7.758915700292375,7.780962168842012,7.7985545834417955,7.813108419932991,7.8255876497408705,third
+274,6.48,94,2.14519677004159e+17,2.68,0.9858167945227654,187.5,Branched,Enzyme,0,0.25757690722046256,0.2294178729131013,9.75,7.934351375306732,6.456876548833286,5.251729730415337,4.270685752674577,3.476049356675197,2.8326148460284974,2.307675681788028,1.8778268042087318,1.5281786720710873,1.2437136693687838,0.01,0.01,0.01,0.01,0.01,0.01,0.01,0.01,0.01,0.01,0.01,3.21,3.21,3.21,3.21,3.21,3.21,3.21,3.21,3.21,3.21,3.21,first
+271,8.8,95,2.4426726124854378e+17,1.75,0.5596157879354227,120.5,Linear,Acid,1,0.11917022435769743,0.1063693826791644,3.07,1.3372513948094387,1.1271434299775664,1.0650274722275686,1.0438146271225113,1.0362009114856536,1.0330856446332737,1.0322602672572858,1.0317360163891471,1.0315420584477517,1.0316666327044552,4.47,4.47,4.47,4.47,4.47,4.47,4.47,4.47,4.47,4.47,4.47,0.55,1.1275828683968536,1.1976188566741444,1.2183241759241437,1.225395124292496,1.227933029504782,1.2289714517889085,1.2292465775809045,1.2294213278702841,1.2294859805174159,1.2294444557651814,third
+280,11.68,98,1.1713064080622166e+17,3.92,1.366091653802371,44.7,Linear,Base,0,0.06107819859571579,0.036627811117938135,5.58,5.313900998300859,5.060490932059945,4.8191568615684,4.589329589906971,4.370467107438149,4.162048959014499,3.9635762439786695,3.774571616163378,3.5945792838914232,3.42316500997568,1.71,1.71,1.71,1.71,1.71,1.71,1.71,1.71,1.71,1.71,1.71,0.56,0.826099001699141,1.0795090679400554,1.3208431384316008,1.55067041009303,1.7695328925618523,1.9779510409855008,2.176423756021331,2.3654283838366226,2.5454207161085773,2.7168349900243207,first
+275,6.58,100,2.3428421826151168e+17,4.15,1.423108334242607,165.7,Linear,None,0,0.02369422258504769,0.014095699225113532,3.22,2.1870781256160723,1.7608034815877849,1.5142299863364854,1.3496830350698539,1.2281937233358997,1.1355162101220375,1.0608417366431058,0.9988218898995668,0.9466078069068882,0.9017965021685034,3.0,3.0,3.0,3.0,3.0,3.0,3.0,3.0,3.0,3.0,3.0,0.68,1.0243072914613094,1.1663988394707387,1.2485900045545053,1.3034389883100492,1.3439354255547005,1.3748279299593213,1.3997194211189652,1.4203927033668116,1.4377973976977043,1.452734499277166,third
+276,10.58,100,3.934944355303597e+17,1.59,0.4637340162321402,70.9,Unknown,Enzyme,0,0.04662951008487636,0.041558986603563386,1.46,1.200735336144809,1.0471308964970434,0.9381200586319279,0.8580288020111295,0.7951120259116412,0.744010718768328,0.7020031851367676,0.6667153569437015,0.6361443726701423,0.6091551071663978,3.85,3.85,3.85,3.85,3.85,3.85,3.85,3.85,3.85,3.85,3.85,2.37,2.456421554618397,2.5076230345009853,2.543959980456024,2.57065706599629,2.5916293246961195,2.608663093743891,2.622665604954411,2.6344282143520994,2.6446185424432858,2.6536149642778675,third
+270,5.51,92,2.824410116990483e+17,4.08,1.4060969884160703,175.0,Ring,None,0,0.448554276175463,0.30917665614963613,7.5,5.238629856976453,3.6576347733825214,2.555767441693053,1.7854518425847299,1.2465296642771349,0.8719043546090428,0.6086056022874063,0.4252138520212425,0.29743928624278154,0.2077573830837392,1.79,1.79,1.79,1.79,1.79,1.79,1.79,1.79,1.79,1.79,1.79,0.82,3.081370143023547,4.662365226617479,5.764232558306947,6.53454815741527,7.073470335722865,7.448095645390957,7.711394397712594,7.894786147978758,8.022560713757219,8.11224261691626,first
+277,12.81,91,4.5192308285360154e+17,1.6,0.47000362924573563,71.6,Branched,None,0,3.1212485868338185,2.3227343790281165,9.36,0.7708601399323649,0.06365694812096373,0.005255071542430989,0.0004337018944731239,3.5692501632232534e-05,3.199340189531092e-06,3.522986148391179e-07,2.5405235795741744e-07,-1.709680923231172e-07,2.3866113621008867e-07,4.83,4.83,4.83,4.83,4.83,4.83,4.83,4.83,4.83,4.83,4.83,1.32,9.909139860067636,10.616343051879037,10.674744928457569,10.679566298105527,10.679964307498368,10.679996800659811,10.679999647701386,10.679999745947644,10.680000170968095,10.679999761338868,first
+279,3.53,94,6.0426068503312344e+16,2.66,0.9783261227936078,65.2,Unknown,Base,0,0.1519921371257896,0.1280005678203879,4.57,4.046771856161326,3.583309740847776,3.172713455835068,2.8092840349071126,2.4877501314663886,2.2032411680739257,1.9512873364493044,1.72791998884719,1.5300867330993735,1.3549062176337012,4.37,4.37,4.37,4.37,4.37,4.37,4.37,4.37,4.37,4.37,4.37,0.26,0.7832281438386742,1.2466902591522246,1.6572865441649327,2.020715965092888,2.342249868533612,2.6267588319260753,2.8787126635506963,3.1020800111528106,3.299913266900627,3.4750937823662995,first
+270,12.33,90,1.9401306319307715e+17,3.91,1.3635373739972745,45.2,Linear,Acid,1,0.7510268249401055,0.4485397874506875,4.05,2.7098203944096184,2.1963376555826115,1.9993554238656082,1.9236841864437844,1.8952089875268732,1.8840208685003792,1.8797482326935742,1.878069186309679,1.8777247498669332,1.8773218152614117,0.4,0.4,0.4,0.4,0.4,0.4,0.4,0.4,0.4,0.4,0.4,0.97,2.310179605590382,2.823662344417389,3.0206445761343925,3.096315813556216,3.1247910124731275,3.1359791314996213,3.140251767306426,3.1419308136903212,3.142275250133067,3.1426781847385885,first
+275,11.89,92,3.067244445521299e+17,0.58,-0.5447271754416722,44.0,Ring,Base,0,1.0262563643500493,0.7723751342550758,3.07,2.472677372792638,2.470018451547658,2.4699999231093814,2.4699993525300235,2.470000968451386,2.4699997364081505,2.470003612279943,2.470000183648577,2.4699995010810025,2.4700005899829485,0.3,0.0013386863963192675,9.225773828919834e-06,-3.8445309372873545e-08,-3.2373498825771797e-07,4.84225692840087e-07,-1.317959248013302e-07,1.8061399713906713e-06,9.182428835528313e-08,-2.49459498943832e-07,2.9499147392219973e-07,4.32,4.618661313603682,4.6199907742261725,4.62000003844531,4.620000323734989,4.619999515774308,4.6200001317959245,4.619998193860029,4.619999908175712,4.620000249459499,4.619999705008526,third
+279,11.75,92,3.942691649983749e+17,4.01,1.3887912413184778,129.7,Branched,Base,1,2.3487942959633927,2.079272203482488,6.65,5.783117439458931,5.783442045478945,5.783025883462835,5.783311695683469,5.783217603789258,5.783178941644511,5.783547085132835,5.783254053332149,5.783211961503054,5.783335056471414,0.52,0.08655871972946659,0.08672102273947341,0.08651294173141846,0.08665584784173651,0.08660880189463023,0.08658947082225671,0.08677354256641938,0.08662702666607552,0.0866059807515286,0.08666752823570922,2.84,3.2734412802705344,3.2732789772605275,3.2734870582685827,3.2733441521582654,3.273391198105371,3.2734105291777444,3.2732264574335823,3.2733729733339256,3.273394019248473,3.273332471764293,third
+274,4.01,99,2.0397516850184778e+17,2.81,1.0331844833456545,48.8,Branched,Acid,1,0.027276949687088662,0.01812801803003255,4.6,4.348640171166368,4.13557639552409,3.952959252602601,3.7957366645695383,3.659753115286522,3.5413260688366597,3.4372459695245503,3.3449173197445883,3.2630542925245347,3.190297289416602,2.81,2.558640171166368,2.345576395524091,2.162959252602602,2.005736664569539,1.8697531152865225,1.7513260688366605,1.6472459695245514,1.5549173197445891,1.4730542925245356,1.4002972894166026,0.58,0.8313598288336317,1.044423604475909,1.2270407473973983,1.384263335430461,1.5202468847134776,1.6386739311633396,1.7427540304754487,1.835082680255411,1.9169457074754646,1.9897027105833975,second
+279,11.84,92,3.2257651621463955e+17,4.59,1.5238800240724537,55.5,Unknown,Base,0,1.9216970246704712,1.611960320142389,7.25,0.31260827647901657,0.1595946885590929,0.10717780392047006,0.08072379049212852,0.06472626065893602,0.054014092427503074,0.04632762926525644,0.04061040988465863,0.03610668328766237,0.03249897356969174,3.74,3.74,3.74,3.74,3.74,3.74,3.74,3.74,3.74,3.74,3.74,2.07,5.538695861760493,5.615202655720455,5.641411098039766,5.654638104753937,5.662636869670534,5.66799295378625,5.671836185367374,5.674694795057673,5.6769466583561705,5.678750513215156,second
+279,3.55,97,2.1844429495825885e+17,2.03,0.7080357930536959,94.0,Branched,Acid,0,0.15074898903379869,0.12970144359180952,4.64,1.1413194834349054,0.8198935843287077,0.6726790104701775,0.5845084940393184,0.5232605532069767,0.47850107520443497,0.4433109395635537,0.4147832756177473,0.3912137986726275,0.371242135081449,0.09,0.09,0.09,0.09,0.09,0.09,0.09,0.09,0.09,0.09,0.09,3.65,4.816226838855031,4.923368805223763,4.972440329843273,5.001830501986894,5.0222464822643405,5.0371663082651885,5.048896353478815,5.058405574794084,5.0662620671091245,5.072919288306184,third
+270,10.16,95,4.586041233821663e+17,2.83,1.0402767116551463,188.5,Ring,None,0,0.19139004618939157,0.12125860355255466,9.34,1.03826389133661,0.7371432579981492,0.6022401251674785,0.5218127669366179,0.46689675716789425,0.42650039343816515,0.39467272896965405,0.36923131348700516,0.34834016424257647,0.3305217251643434,4.07,4.07,4.07,4.07,4.07,4.07,4.07,4.07,4.07,4.07,4.07,4.94,7.707245369554463,7.807618914000617,7.852586624944173,7.87939574435446,7.897701080944035,7.9111665355206116,7.921775757010115,7.930256228837665,7.937219945252474,7.943159424945218,third
+276,12.32,96,9.775919211358982e+16,4.94,1.5973653311998313,60.7,Unknown,Enzyme,0,0.0662111255706638,0.035603608597416986,2.77,1.2336732155676073,0.8196176961669479,0.6189902203765436,0.4993499558498077,0.4195740180553791,0.36222725278487444,0.318668355275159,0.2849493085999921,0.257791678633129,0.2352531581205916,4.77,4.001836607783804,3.794808848083474,3.6944951101882717,3.634674977924904,3.59478700902769,3.566113626392437,3.5443341776375794,3.527474654299996,3.5138958393165645,3.502626579060296,3.64,4.4081633922161965,4.615191151916526,4.7155048898117276,4.775325022075096,4.81521299097231,4.843886373607562,4.86566582236242,4.882525345700004,4.896104160683435,4.907373420939703,third
+278,7.93,93,3.8606218573460986e+17,0.57,-0.5621189181535413,82.3,Branched,Acid,1,1.2937430116685469,0.6820077310556362,3.42,1.0141138427306804,1.0146675263261282,1.0138542170147753,1.013321132216612,1.012473798742777,1.0137363538482471,1.0143983728450376,1.0150806705352484,1.0136275312274046,1.0137326667427395,4.13,2.9270569213653403,2.9273337631630643,2.9269271085073876,2.9266605661083065,2.9262368993713888,2.926868176924124,2.9271991864225195,2.927540335267625,2.9268137656137028,2.9268663333713705,4.5,5.702943078634659,5.702666236836936,5.703072891492612,5.703339433891693,5.703763100628611,5.703131823075877,5.702800813577481,5.702459664732375,5.703186234386297,5.70313366662863,third
+274,3.98,94,3.2047864717946285e+17,2.38,0.8671004876833833,157.3,Branched,None,0,0.38480338924379165,0.3361745043208411,2.03,0.6969623525215601,0.29973376670174623,0.13947752496239932,0.06712313294696338,0.032834492395980144,0.01618222718343608,0.007989569510521757,0.003954703183911345,0.001962458805870892,0.0009727338022228174,4.31,2.97696235252156,2.579733766701746,2.4194775249623994,2.3471231329469635,2.31283449239598,2.296182227183436,2.287989569510522,2.2839547031839116,2.281962458805871,2.2809727338022228,3.36,4.693037647478439,5.0902662332982525,5.2505224750376,5.322876867053036,5.3571655076040186,5.373817772816563,5.382010430489478,5.386045296816088,5.388037541194129,5.389027266197777,second
+278,8.41,90,2.2137064126817302e+17,2.91,1.0681530811834012,125.8,Linear,Acid,0,2.7165287083044434,1.4986451610616347,3.13,0.9567770333564449,-1.2164459332871096,-3.389668899930665,-5.562891866574219,-7.736114833217771,-9.909337799861332,-12.082560766504885,-14.25578373314844,-16.42900669979199,-18.60222966643555,4.22,4.22,4.22,4.22,4.22,4.22,4.22,4.22,4.22,4.22,4.22,1.5,3.673222966643555,5.846445933287109,8.019668899930664,10.192891866574218,12.366114833217772,14.53933779986133,16.712560766504886,18.88578373314844,21.059006699791993,23.23222966643555,zero
+274,2.15,91,1.2576386763525694e+17,2.04,0.712949807856125,183.2,Ring,None,0,0.5635448007296644,0.3548036991366905,8.04,0.9775652538684757,0.5201930271595293,0.35450862692611357,0.269100506520975,0.21654662806695343,0.18144106927569673,0.15587053553094835,0.13679407382574843,0.12188514514957714,0.10981631694605251,4.33,4.33,4.33,4.33,4.33,4.33,4.33,4.33,4.33,4.33,4.33,0.96,4.491217373065761,4.719903486420234,4.802745686536942,4.8454497467395115,4.8717266859665225,4.889279465362151,4.902064732234525,4.911602963087125,4.91905742742521,4.925091841526973,second
+270,12.0,91,1.9334494078482102e+17,1.14,0.131028262406404,75.5,Linear,Base,0,0.47938967074819394,0.3249391337885807,9.9,6.467878660708981,6.269295499654463,6.251752850817095,6.2501599121204565,6.250014478577213,6.2500015332844105,6.250000313803622,6.249999930730601,6.249999686385109,6.250000500316968,3.65,0.21787866070898,0.019295499654462544,0.0017528508170945097,0.0001599121204559345,1.4478577212139603e-05,1.533284409642493e-06,3.138036215663048e-07,-6.926939958167677e-08,-3.1361489220659035e-07,5.003169670893709e-07,4.36,7.792121339291021,7.990704500345538,8.008247149182905,8.009840087879544,8.009985521422788,8.00999846671559,8.009999686196378,8.010000069269399,8.010000313614894,8.009999499683033,second
+279,5.49,91,3.0530339153733286e+17,2.44,0.8919980393051105,115.0,Unknown,None,0,2.7990553920649646,2.4634624990581377,4.99,0.2730684738822328,0.19317043332044773,0.15783194514581705,0.13659516380449313,0.12228170728396492,0.11155220247388167,0.10328672473633926,0.09667913504098634,0.09113963452578716,0.08644365337353921,4.85,4.85,4.85,4.85,4.85,4.85,4.85,4.85,4.85,4.85,4.85,1.91,3.4823105087059223,3.508943188893184,3.5207226849513944,3.527801612065169,3.532572764238678,3.536149265842039,3.5389044250878867,3.5411069549863377,3.5429534551580706,3.54451878220882,third
+274,13.44,93,4.124073935167932e+17,4.27,1.451613827240533,47.5,Branched,Enzyme,0,0.7680871331992603,0.432809034945266,6.82,0.7294897691307505,0.3851171369269748,0.2616969569021439,0.19835009112269664,0.15948432847154853,0.13353390438472637,0.11466876527330624,0.10061299442061457,0.08961190288580671,0.0807222071944393,1.89,1.89,1.89,1.89,1.89,1.89,1.89,1.89,1.89,1.89,1.89,4.34,7.385255115434624,7.557441431536512,7.619151521548928,7.650824954438651,7.670257835764225,7.6832330478076365,7.692665617363346,7.6996935027896924,7.705194048557096,7.7096388964027796,second
+271,4.64,94,4.9651334113361274e+17,3.32,1.199964782928397,106.9,Ring,Enzyme,1,0.37756186861250174,0.3088042219065088,5.99,4.964598336356876,4.8424201178031545,4.826017599774494,4.823650458642337,4.823168244771152,4.823412124516685,4.822734801359967,4.824024219685367,4.823081529250928,4.82366070434189,2.07,1.0445983363568752,0.9224201178031536,0.906017599774493,0.903650458642336,0.90316824477115,0.9034121245166838,0.9027348013599656,0.9040242196853664,0.9030815292509263,0.9036607043418893,4.16,5.185401663643124,5.307579882196846,5.323982400225506,5.326349541357663,5.326831755228849,5.326587875483315,5.327265198640033,5.325975780314633,5.326918470749073,5.32633929565811,second
+270,2.3,97,4.730705851861124e+17,2.02,0.7030975114131134,147.3,Branched,None,0,0.08099721814985156,0.06139024422096085,4.58,4.5152022254801185,4.450404450960237,4.385606676440355,4.320808901920474,4.256011127400593,4.191213352880712,4.12641557836083,4.061617803840949,3.996820029321068,3.9320222548011863,1.66,1.66,1.66,1.66,1.66,1.66,1.66,1.66,1.66,1.66,1.66,0.15,0.21479777451988127,0.27959554903976247,0.3443933235596438,0.40919109807952503,0.47398887259940625,0.5387866471192876,0.6035844216391688,0.6683821961590501,0.7331799706789314,0.7979777451988128,zero
+276,13.61,96,3.58418052854128e+17,0.58,-0.5447271754416722,116.2,Unknown,None,1,0.24275223834443416,0.13334429166477876,9.54,8.360993569413239,7.4883475748747665,6.840198904611081,6.362857205585357,6.012034685148612,5.749484857255227,5.554521283750875,5.411825617162169,5.30665214571519,5.227677693257984,2.28,2.28,2.28,2.28,2.28,2.28,2.28,2.28,2.28,2.28,2.28,4.57,5.74900643058676,6.621652425125233,7.269801095388918,7.747142794414643,8.097965314851388,8.360515142744774,8.555478716249125,8.69817438283783,8.80334785428481,8.882322306742017,first
+276,13.89,97,3.351548442969566e+17,3.97,1.3787660946990992,183.7,Unknown,Acid,0,0.14681015275453954,0.09195863378907464,5.64,5.0150108760577075,4.459282374648606,3.9648219379411507,3.5245847107845973,3.133241773752741,2.785778960702671,2.4774471817643087,2.20376242334041,1.9605057481065615,1.7437232950111845,1.87,1.87,1.87,1.87,1.87,1.87,1.87,1.87,1.87,1.87,1.87,2.63,2.63,2.63,2.63,2.63,2.63,2.63,2.63,2.63,2.63,2.63,first
+274,6.99,99,1.3528208264347078e+17,1.58,0.4574248470388755,123.1,Unknown,Enzyme,0,0.01809084208108937,0.009203161556607055,7.28,6.012898170614585,5.12132782024043,4.459195107334672,3.9531908561013074,3.5493451877553284,3.2178064606352024,2.94396151826052,2.7145154778195897,2.518278414334163,2.3472659261268403,1.53,1.53,1.53,1.53,1.53,1.53,1.53,1.53,1.53,1.53,1.53,1.62,2.253550914692707,2.699336089879785,3.0304024463326646,3.2834045719493465,3.4853274061223365,3.6510967696823995,3.7880192408697404,3.902742261090206,4.000860792832919,4.08636703693658,second
+276,7.63,99,3.525049136951429e+16,3.85,1.3480731482996928,155.3,Branched,None,1,0.006458775806647151,0.0034307531196759596,9.86,4.942315135092311,3.753843867535781,3.1620368463851856,2.79271583822346,2.5401923599217135,2.3511585270067394,2.2070534167870544,2.093342004347596,1.9995331395621514,1.9217600091619886,2.33,2.33,2.33,2.33,2.33,2.33,2.33,2.33,2.33,2.33,2.33,2.09,3.7292282883025627,4.125385377488073,4.322654384538271,4.445761387258846,4.529935880026096,4.592947157664421,4.640982194404316,4.678885998550801,4.71015562014595,4.736079996946004,third
+272,2.91,91,6.962633354772569e+16,4.44,1.4906543764441336,151.5,Linear,Enzyme,0,0.23258550834165348,0.12301671124126609,2.83,2.6439315933266774,2.4578631866533547,2.2717947799800315,2.085726373306709,1.8996579666333862,1.713589559960063,1.5275211532867408,1.341452746613418,1.1553843399400954,0.9693159332667731,1.67,1.67,1.67,1.67,1.67,1.67,1.67,1.67,1.67,1.67,1.67,2.22,2.406068406673323,2.5921368133466456,2.7782052200199687,2.9642736266932914,3.150342033366614,3.3364104400399373,3.5224788467132595,3.708547253386582,3.894615660059905,4.080684066733227,zero
+273,1.88,100,2.4191354773603424e+17,0.67,-0.40047756659712525,119.3,Unknown,Base,0,0.017758299396324534,0.012624991729671603,3.25,3.2041548453912507,3.158956391834535,3.114395515727038,3.0704632187501466,3.0271506405277715,2.984449042911584,2.9423498070813956,2.9008444335451524,2.8599245421389403,2.8195818720269816,0.89,0.89,0.89,0.89,0.89,0.89,0.89,0.89,0.89,0.89,0.89,0.8,0.8458451546087495,0.8910436081654652,0.9356044842729618,0.9795367812498531,1.0228493594722285,1.0655509570884156,1.1076501929186044,1.1491555664548474,1.1900754578610597,1.2304181279730186,first
+274,1.01,95,6.096893562372145e+16,4.5,1.5040773967762742,42.7,Unknown,Base,1,0.04719588623533464,0.03290206020887279,7.98,5.16740263332185,3.943042239951739,3.2916409558337723,2.9111487184019316,2.669588678762726,2.514546406041954,2.4105522922522797,2.3393903814667727,2.2919524829669466,2.2589408812470726,0.14,0.14,0.14,0.14,0.14,0.14,0.14,0.14,0.14,0.14,0.14,3.93,5.336298683339075,5.9484788800241315,6.274179522083116,6.4644256407990355,6.585205660618638,6.662726796979024,6.714723853873862,6.750304809266615,6.774023758516528,6.790529559376465,second
+278,7.91,94,1.4133058367079886e+17,1.74,0.5538851132264376,90.4,Linear,Base,1,0.30727394028012606,0.23458813082440852,1.99,1.0756879167540432,1.0395351498397492,1.0365530561177978,1.0363755484347283,1.0367149682341947,1.0356081311191458,1.0360148188332774,1.0382028983862774,1.0361092204859415,1.0368190999768456,3.83,3.83,3.83,3.83,3.83,3.83,3.83,3.83,3.83,3.83,3.83,1.14,1.444770694415319,1.4568216167200836,1.457815647960734,1.457874817188424,1.4577616772552684,1.4581306229602848,1.4579950603889076,1.4572657005379075,1.4579635931713528,1.4577269666743846,third
+274,12.76,98,9.308303073086051e+16,2.95,1.0818051703517284,195.3,Linear,Base,1,0.019307821487557164,0.012438702552732389,8.89,6.985071497838547,5.7687498774323664,4.9302490183219,4.317306363198245,3.855936954941958,3.494385399753273,3.205275696600393,2.972161728879227,2.7809420455813174,2.620244488382302,1.44,1.44,1.44,1.44,1.44,1.44,1.44,1.44,1.44,1.44,1.44,0.11,1.0624642510807267,1.6706250612838167,2.0898754908390504,2.396346818400878,2.6270315225290215,2.807807300123364,2.9523621516998038,3.068919135560387,3.1645289772093417,3.2448777558088495,second
+272,6.57,92,4.862174840184142e+17,4.37,1.4747630091074988,136.7,Ring,None,0,1.0437431628157139,0.7937164217619256,7.7,0.44677437136273557,0.31638779190291805,0.2582678926697707,0.22377297386343661,0.20009617471140406,0.1828062561679154,0.16916156822621947,0.15820793450769172,0.14920840943624147,0.1415750667375842,2.27,2.27,2.27,2.27,2.27,2.27,2.27,2.27,2.27,2.27,2.27,4.38,6.79774187621242,6.841204069365692,6.860577369110075,6.872075675378853,6.879967941762864,6.885731247944027,6.890279477257926,6.893930688497435,6.896930530187919,6.899474977754138,third
+276,9.85,100,1.8404011072309763e+17,1.26,0.23111172096338664,193.7,Linear,Base,1,0.021808949311869826,0.01929995698520076,1.45,1.3706773790524056,1.3006704748500075,1.2387111732441685,1.1836904737480434,1.1348275407115067,1.0914244131828292,1.0528326602195257,1.018453380888353,0.9877372042653114,0.9601842894356452,4.98,4.900677379052405,4.830670474850008,4.768711173244168,4.713690473748043,4.6648275407115065,4.621424413182829,4.582832660219525,4.548453380888352,4.517737204265312,4.4901842894356445,2.69,2.769322620947594,2.839329525149992,2.901288826755831,2.9563095262519563,3.005172459288493,3.0485755868171704,3.087167339780474,3.1215466191116468,3.1522627957346883,3.1798157105643545,second
+279,1.86,92,2.609026647619564e+17,4.07,1.4036429994545037,61.8,Branched,Base,0,1.5542851057019849,1.3015372545326653,5.52,1.5912321177839437,0.459570120315306,0.13270649177665655,0.03828144278600182,0.011056540199913005,0.0031968078369873235,0.0009226536751491679,0.0002661242901513963,7.674611190891151e-05,2.2370029341687362e-05,2.62,2.62,2.62,2.62,2.62,2.62,2.62,2.62,2.62,2.62,2.62,0.35,4.278767882216057,5.410429879684695,5.737293508223344,5.831718557213998,5.858943459800087,5.866803192163013,5.8690773463248505,5.869733875709848,5.86992325388809,5.869977629970658,first
+280,5.11,95,9.78841170483262e+16,1.28,0.2468600779315258,78.1,Unknown,Acid,0,0.18518465575447643,0.12953987015060542,4.29,1.0312795184914347,0.7404529948012966,0.607275780115782,0.5274854095338048,0.47228001665653596,0.43189777818169184,0.39999899879173906,0.37426780727306475,0.3530531330271784,0.33505951151787533,0.58,0.58,0.58,0.58,0.58,0.58,0.58,0.58,0.58,0.58,0.58,3.45,4.536240160502855,4.633182335066234,4.677574739961406,4.704171530155399,4.722573327781155,4.736034073939437,4.746667000402755,4.755244064242312,4.762315622324275,4.768313496160709,third
+271,10.28,92,6.9220173966066184e+16,4.99,1.6074359097634274,164.4,Ring,Acid,1,0.12787902374319995,0.06655810096051935,4.35,4.054732345969843,3.802004013766881,3.5852738623654443,3.399320444760839,3.2404396524398353,3.1050833352061504,2.989844611505616,2.891457868426178,2.8067989075750197,2.733839953839191,3.29,3.29,3.29,3.29,3.29,3.29,3.29,3.29,3.29,3.29,3.29,2.37,2.6652676540301568,2.917995986233119,3.1347261376345554,3.3206795552391606,3.4795603475601644,3.6149166647938493,3.7301553884943837,3.8285421315738217,3.91320109242498,3.986160046160809,first
+274,8.28,92,3.685200794987312e+16,3.34,1.205970806988609,37.9,Branched,Acid,1,0.1064607352291905,0.05977887616343524,1.33,1.290567198327048,1.2666799882547848,1.2520385133325551,1.2424072132033384,1.236735139707106,1.2334916439522352,1.2310461444845568,1.2294858627452723,1.2286593596966242,1.2281665047023582,0.41,0.41,0.41,0.41,0.41,0.41,0.41,0.41,0.41,0.41,0.41,2.63,2.6497164008364757,2.6616600058726076,2.6689807433337225,2.6737963933983306,2.6766324301464466,2.678254178023882,2.6794769277577215,2.6802570686273635,2.6806703201516875,2.680916747648821,second
+277,13.81,94,3.274323731997018e+17,2.91,1.0681530811834012,72.7,Ring,Acid,1,0.6146769042422616,0.43201510217832906,7.87,1.9823592439194464,1.9759273567226845,1.9773907704235125,1.9758932371824107,1.976842735449688,1.9758531383580313,1.9757881955216907,1.9773113593073923,1.9755404092945497,1.9769649455528657,3.74,0.7961796219597236,0.7929636783613426,0.7936953852117566,0.7929466185912057,0.7934213677248444,0.792926569179016,0.7928940977608457,0.7936556796536965,0.7927702046472752,0.7934824727764332,1.46,4.403820378040276,4.407036321638657,4.406304614788243,4.407053381408794,4.406578632275155,4.407073430820983,4.407105902239153,4.406344320346302,4.407229795352724,4.406517527223566,third
+280,13.96,99,2.8889449904629594e+17,3.71,1.3110318766193438,168.1,Linear,Base,1,0.09803834006156222,0.07138051443893058,5.16,1.7389474661141615,1.580569879976492,1.5554812068060824,1.551121313414375,1.549875194772626,1.5498890199326278,1.5495690885766968,1.5503693777693608,1.548790809019372,1.5516376943063692,2.28,2.28,2.28,2.28,2.28,2.28,2.28,2.28,2.28,2.28,2.28,3.91,5.050350844628613,5.103143373341169,5.111506264397972,5.112959562195208,5.11337493507579,5.113370326689123,5.113476970474433,5.113210207410212,5.113736396993541,5.112787435231209,third
+271,9.73,93,4.675552154527568e+17,0.85,-0.16251892949777494,120.1,Branched,Base,1,0.5541723087570559,0.40354665261454686,6.56,5.156168791981968,4.505974233843285,4.2037360746240475,4.0620282871224,3.996856841762971,3.9662973703620836,3.952387242735948,3.945168682077511,3.9431008152214426,3.9413459870446017,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,2.79,4.193831208018032,4.844025766156714,5.146263925375952,5.287971712877599,5.353143158237029,5.3837026296379165,5.397612757264051,5.404831317922488,5.406899184778557,5.408654012955398,first
+279,10.07,98,3.818728636287344e+17,3.22,1.169381359556317,165.9,Unknown,Enzyme,0,0.1712398369387961,0.12803567344906666,9.05,7.891392679616345,6.881071900234461,5.99877409758287,5.22910404410432,4.558963557507291,3.9760312499078574,3.4687625278296834,3.0263895922040263,2.6392735130256293,2.3013869662854836,2.92,2.92,2.92,2.92,2.92,2.92,2.92,2.92,2.92,2.92,2.92,4.08,5.238607320383655,6.248928099765539,7.13122590241713,7.90089595589568,8.571036442492709,9.153968750092142,9.661237472170317,10.103610407795973,10.490726486974372,10.828613033714518,first
+279,8.56,97,8.182258216017915e+16,3.85,1.3480731482996928,34.0,Linear,Enzyme,0,0.05646598160477889,0.03471220293866618,4.64,4.594827214716176,4.549654429432353,4.50448164414853,4.459308858864707,4.414136073580885,4.368963288297061,4.323790503013238,4.278617717729414,4.233444932445591,4.1882721471617685,4.45,4.45,4.45,4.45,4.45,4.45,4.45,4.45,4.45,4.45,4.45,0.31,0.3551727852838231,0.40034557056764625,0.44551835585146937,0.4906911411352925,0.5358639264191156,0.5810367117029387,0.6262094969867619,0.671382282270585,0.7165550675544081,0.7617278528382313,zero
+278,8.55,92,4.147864990804237e+17,4.41,1.4838746894587547,152.5,Unknown,Enzyme,0,2.1424788260814243,1.872388668226585,5.37,0.27773371129842195,0.1426555251897644,0.0959472081318348,0.07222300887177674,0.0579386187902468,0.04836491778778114,0.041533952106316004,0.03634777578796288,0.03234061049271128,0.029133555111454074,0.4,0.4,0.4,0.4,0.4,0.4,0.4,0.4,0.4,0.4,0.4,4.06,6.606133144350788,6.673672237405117,6.697026395934081,6.70888849556411,6.716030690604875,6.720817541106107,6.72423302394684,6.726826112106017,6.728829694753642,6.730433222444271,second
+278,3.51,97,4.223500655296796e+17,1.47,0.3852624007906449,111.7,Unknown,Enzyme,0,0.2507602064982987,0.22566461613219316,3.81,3.117456160483689,2.550818076492342,2.0861259797349896,1.705695646469796,1.39577454449494,1.143489714720106,0.9368467235329814,0.7665441113097724,0.6272168534167745,0.513238423038189,4.24,4.24,4.24,4.24,4.24,4.24,4.24,4.24,4.24,4.24,4.24,1.26,1.26,1.26,1.26,1.26,1.26,1.26,1.26,1.26,1.26,1.26,first
+270,11.32,96,5.291452390701853e+16,2.38,0.8671004876833833,106.3,Ring,Base,0,0.014144502216556032,0.01111592980935238,5.86,4.488365023958701,3.787209811179238,3.342776219458413,3.0287534498932063,2.794742978430266,2.6086244569086587,2.4567352942132645,2.330877058918832,2.2241515801853775,2.1312727055196445,2.71,2.0241825119793497,1.6736049055896183,1.4513881097292058,1.2943767249466025,1.1773714892151323,1.0843122284543287,1.0083676471066316,0.9454385294594153,0.8920757900926882,0.8456363527598216,1.63,2.31581748802065,2.666395094410381,2.8886118902707936,3.045623275053397,3.162628510784867,3.255687771545671,3.331632352893368,3.394561470540584,3.447924209907311,3.494363647240178,third
+271,11.58,90,4.2193444969801446e+17,3.48,1.247032293786383,97.2,Linear,Base,0,1.8937429651581865,1.1677567354920801,6.28,5.680001415758532,5.6800014953754845,5.680000211375579,5.679999504136932,5.6799996189562165,5.6800032888316405,5.680001195503637,5.679999522668901,5.680000323736512,5.6800033096718785,0.3,7.078792667480792e-07,7.476877426558137e-07,1.0568778907777919e-07,-2.479315346504898e-07,-1.9052189188096616e-07,1.6444158197007997e-06,5.977518183142499e-07,-2.386655494700767e-07,1.618682560514252e-07,1.6548359395039779e-06,3.09,3.389999292120734,3.3899992523122577,3.3899998943122105,3.390000247931534,3.3900001905218917,3.3899983555841797,3.3899994022481814,3.3900002386655497,3.389999838131744,3.3899983451640607,third
+279,1.08,99,6.737251903095627e+16,3.17,1.1537315878891892,85.5,Unknown,Enzyme,0,0.01963094017761701,0.011056681321038018,8.95,8.810540423489782,8.673253916980865,8.538106616619997,8.405065167274087,8.274096781159589,8.145169173979488,8.018250546361536,7.893309583858242,7.770315456946885,7.649237821029499,1.04,1.04,1.04,1.04,1.04,1.04,1.04,1.04,1.04,1.04,1.04,3.08,3.2194595765102174,3.356746083019133,3.4918933833800025,3.624934832725911,3.75590321884041,3.8848308260205107,4.011749453638464,4.136690416141756,4.259684543053114,4.3807621789705,first
+273,6.94,90,2.613715614523168e+17,1.32,0.27763173659827955,142.0,Branched,Base,1,1.5719017491078167,1.2947543126755436,3.43,1.1217405189377947,1.1201546946320884,1.122135111729019,1.1203055265912696,1.1216260673482836,1.1205330143627132,1.1215387914241899,1.1213809425214518,1.1200901989263057,1.121568115171863,4.77,4.77,4.77,4.77,4.77,4.77,4.77,4.77,4.77,4.77,4.77,0.94,1.7094198270207346,1.7099484351226366,1.7092882960903264,1.7098981578029095,1.7094579775505714,1.7098223285457614,1.7094870695252693,1.709539685826182,1.7099699336912308,1.7094772949427113,third
+270,6.96,96,1.8206270852668637e+17,1.63,0.4885800148186709,30.4,Unknown,Base,0,0.04866691021982983,0.03386667884224842,3.17,1.7003659114671659,1.2053331340269542,0.9466761498423434,0.7839589372263494,0.6714360595027088,0.588052591429674,0.5245090668804858,0.4736118429875931,0.43186894274240706,0.3971252842461883,3.98,3.245182955733583,2.9976665670134772,2.8683380749211715,2.7869794686131746,2.7307180297513542,2.6890262957148368,2.6572545334402426,2.6318059214937963,2.6109344713712033,2.5935626421230937,1.75,2.484817044266417,2.7323334329865228,2.8616619250788284,2.9430205313868254,2.9992819702486457,3.0409737042851632,3.0727454665597573,3.0981940785062037,3.1190655286287967,3.1364373578769063,third
+275,1.54,95,4.766545493943959e+17,3.62,1.2864740258376797,176.4,Unknown,Enzyme,1,0.42939620328812667,0.3595967811314843,6.03,5.572273738637282,5.534239525877084,5.531070725224248,5.530696973524611,5.530223984055847,5.531163914504422,5.530810457574898,5.530096306927333,5.531002915424534,5.53104176978771,1.22,0.7622737386372817,0.7242395258770828,0.7210707252242481,0.7206969735246107,0.7202239840558465,0.7211639145044217,0.7208104575748974,0.7200963069273328,0.7210029154245341,0.7210417697877093,4.26,4.717726261362718,4.7557604741229165,4.758929274775752,4.759303026475389,4.759776015944153,4.758836085495578,4.759189542425102,4.759903693072667,4.758997084575466,4.75895823021229,second
+274,8.12,95,1.694885316416372e+17,0.78,-0.2484613592984996,72.6,Unknown,Enzyme,1,0.1312006085676253,0.10460415612175983,7.23,6.686364828795722,6.236169729411694,5.862470913219608,5.55310549815338,5.297948507150666,5.087549287793518,4.913131512308388,4.767808514778024,4.647476968470633,4.54784746755008,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.94,2.483635171204278,2.933830270588306,3.3075290867803924,3.61689450184662,3.872051492849334,4.082450712206482,4.256868487691612,4.402191485221976,4.522523031529367,4.6221525324499195,first
+273,11.59,91,2.3648200271745622e+17,3.23,1.172482137234565,166.7,Branched,Base,1,0.9154245839602098,0.6523107587870819,7.46,1.1531898567686203,1.1530734788716719,1.1546126126625482,1.153708799703444,1.152722790403558,1.1523254677642072,1.1541572859243463,1.1544817055628738,1.153156976913088,1.153460028443768,1.96,1.96,1.96,1.96,1.96,1.96,1.96,1.96,1.96,1.96,1.96,0.05,2.1522700477437935,2.1523088403761097,2.1517957957791505,2.1520970667655184,2.152425736532147,2.15255817741193,2.1519475713585505,2.151839431479041,2.152281007695636,2.152179990518743,third
+274,1.44,92,2.862434881456059e+17,0.99,-0.01005033585350145,176.5,Linear,Base,0,0.8269208083315363,0.6790048810834898,5.48,2.825801599530036,1.4597773462305659,0.7545439415480168,0.38913580655554775,0.2010138598445543,0.10391901286920957,0.053597778213454315,0.027679991536841406,0.01431147549163514,0.007386174220140966,3.65,3.65,3.65,3.65,3.65,3.65,3.65,3.65,3.65,3.65,3.65,2.43,2.43,2.43,2.43,2.43,2.43,2.43,2.43,2.43,2.43,2.43,first
+273,12.29,97,2.4748685586986614e+17,3.28,1.1878434223960523,123.6,Unknown,None,1,0.06812728564785786,0.03976972693353878,3.94,3.8065385604129527,3.706919489149731,3.631426330367079,3.574053255089023,3.530623076964308,3.4972393162208375,3.470962818326285,3.450610005811032,3.434901066659165,3.4226796198691334,1.09,0.9565385604129526,0.856919489149731,0.7814263303670788,0.7240532550890231,0.6806230769643081,0.6472393162208375,0.6209628183262849,0.6006100058110316,0.584901066659165,0.5726796198691334,2.5,2.6334614395870473,2.733080510850269,2.808573669632921,2.865946744910977,2.909376923035692,2.9427606837791624,2.969037181673715,2.989389994188968,3.005098933340835,3.0173203801308666,second
+270,4.03,92,4.1898976143993363e+17,3.64,1.2919836816486494,199.9,Branched,Enzyme,0,0.6654120378519117,0.5899934068708723,6.29,3.6926317542198857,2.1688298911894206,1.2736739137581503,0.7485649453675906,0.4399523440953287,0.2583332717224581,0.1519496763752397,0.08916384846022676,0.05246672531532452,0.03081076363463758,2.76,2.76,2.76,2.76,2.76,2.76,2.76,2.76,2.76,2.76,2.76,2.84,2.84,2.84,2.84,2.84,2.84,2.84,2.84,2.84,2.84,2.84,first
+279,1.94,99,1.342408688399936e+17,2.23,0.8020015854720274,135.9,Unknown,Base,0,0.03911497600940811,0.0318501558259943,3.97,3.1797094719093226,2.652874871155088,2.2743004205587205,1.9932003674647574,1.7735233910736246,1.5958241741792427,1.451227985450216,1.3315416557184458,1.2298630195423574,1.141966242279873,4.91,4.91,4.91,4.91,4.91,4.91,4.91,4.91,4.91,4.91,4.91,2.47,2.865145264045339,3.128562564422457,3.3178497897206403,3.458399816267622,3.568238304463188,3.657087912910379,3.7293860072748926,3.789229172140778,3.8400684902288216,3.8840168788600637,second
+276,11.03,98,3.86962525101769e+17,2.53,0.9282193027394288,168.5,Unknown,None,0,0.1096267957543751,0.0806779381079713,7.79,1.3609435840069546,0.970044627763196,0.7936203069762381,0.6880281507185269,0.6159286523286719,0.5627420605550569,0.5208550059728514,0.4873783403329113,0.45985865485051824,0.4363488422438436,3.89,3.89,3.89,3.89,3.89,3.89,3.89,3.89,3.89,3.89,3.89,2.93,5.0730188053310155,5.203318457412268,5.262126564341254,5.297323949760491,5.321357115890443,5.339085979814981,5.353048331342383,5.36420721988903,5.373380448383161,5.381217052585386,third
+274,4.72,91,1.2407465984888285e+17,2.95,1.0818051703517284,74.8,Branched,Base,0,0.5559755021444456,0.4156361317328674,9.33,3.396981833906306,3.3900426280976714,3.390000177536143,3.3899998467921213,3.38999917434211,3.390000711215513,3.3899993474379904,3.3900007635336116,3.390000843416302,3.3900007316987035,2.97,0.0034909169531526954,2.1314048835436637e-05,8.876807109221331e-08,-7.660393973612672e-08,-4.128289452533115e-07,3.556077561729457e-07,-3.2628100496884123e-07,3.817668056664006e-07,4.2170815057795974e-07,3.6584935163676055e-07,4.75,7.716509083046847,7.719978685951165,7.7199999112319295,7.72000007660394,7.720000412828946,7.719999644392244,7.7200003262810055,7.719999618233195,7.7199995782918505,7.719999634150649,third
+278,2.93,95,3.195275910656608e+17,1.85,0.6151856390902335,71.3,Branched,None,1,0.4507095574966729,0.2991653696273446,6.81,1.2779530011111488,1.2743430692685003,1.2731490640302094,1.2752127951662806,1.2740843400485158,1.27335475293909,1.2753023814298867,1.2737098787244359,1.2735799103115886,1.275064846878713,1.64,1.64,1.64,1.64,1.64,1.64,1.64,1.64,1.64,1.64,1.64,1.27,3.1140156662962832,3.1152189769105,3.115616978656597,3.114929068277906,3.1153052199838274,3.1155484156869697,3.114899206190037,3.115430040425187,3.1154733632294698,3.1149783843737615,third
+277,10.48,94,2.913238568222074e+17,2.86,1.0508216248317612,47.4,Ring,None,1,0.5468916976458373,0.4834863788720564,6.61,3.6741460027315265,3.5270716059329277,3.5159231067846664,3.5150218054313425,3.5143915931945267,3.5164041418374774,3.5152082836249856,3.514281211486522,3.51498663026921,3.5164693748963525,4.59,1.654146002731526,1.5070716059329274,1.495923106784666,1.4950218054313418,1.494391593194526,1.4964041418374767,1.4952082836249845,1.4942812114865212,1.4949866302692092,1.4964693748963518,2.85,5.785853997268474,5.932928394067072,5.944076893215334,5.944978194568658,5.945608406805474,5.943595858162523,5.944791716375015,5.945718788513478,5.94501336973079,5.943530625103648,second
+272,4.0,97,3.1164321029442797e+17,2.65,0.9745596399981308,186.8,Unknown,Base,0,0.07331460068990649,0.05443772722840987,2.14,1.710414681720098,1.4253319992531464,1.220609521136669,1.0688917205216912,0.9508571548616656,0.8551602931004753,0.7772726778404497,0.7129059004190412,0.6584072792709441,0.6112227552019637,0.65,0.65,0.65,0.65,0.65,0.65,0.65,0.65,0.65,0.65,0.65,3.13,3.3447926591399506,3.487334000373427,3.5896952394316655,3.6655541397391542,3.7245714225691673,3.7724198534497626,3.8113636610797754,3.8435470497904793,3.870796360364528,3.8943886223990183,second
+278,7.34,96,3.600116480703414e+17,1.84,0.6097655716208943,91.1,Unknown,Acid,0,0.32946082384025793,0.21491117228838064,4.57,4.306431340927794,4.042862681855588,3.7792940227833816,3.5157253637111756,3.252156704638969,2.988588045566763,2.7250193864945564,2.46145072742235,2.197882068350144,1.9343134092779384,2.11,2.11,2.11,2.11,2.11,2.11,2.11,2.11,2.11,2.11,2.11,4.92,5.183568659072206,5.447137318144412,5.710705977216619,5.974274636288825,6.237843295361031,6.501411954433237,6.764980613505443,7.02854927257765,7.292117931649856,7.555686590722062,zero
+272,3.81,93,2.9496194061784774e+17,3.29,1.1908875647772805,195.7,Branched,None,1,0.4068956062396733,0.3476613016702063,7.56,2.32512791848128,2.29813588591331,2.296966989140513,2.296456097948654,2.2965984348438178,2.2969845034240834,2.2978031319176977,2.2986555805998257,2.2983583614351506,2.2978585268330702,3.25,0.6325639592406399,0.6190679429566545,0.6184834945702559,0.6182280489743265,0.6182992174219084,0.6184922517120413,0.6189015659588484,0.6193277902999125,0.619179180717575,0.6189292634165348,1.19,3.8074360407593595,3.8209320570433447,3.8215165054297433,3.8217719510256725,3.8217007825780906,3.8215077482879583,3.8210984340411507,3.8206722097000863,3.8208208192824236,3.821070736583464,third
+278,6.7,90,1.0159696068295302e+17,3.19,1.1600209167967532,183.9,Ring,Acid,1,1.2467374119288852,0.7026560869966242,9.29,5.370798272138066,5.367923943784755,5.367679563591142,5.367919018495665,5.367730552727826,5.367997317365006,5.367841803828033,5.368077176172981,5.36798331864393,5.367910853229352,4.71,0.790798272138067,0.787923943784756,0.7876795635911429,0.7879190184956663,0.7877305527278275,0.7879973173650079,0.7878418038280353,0.7880771761729825,0.7879833186439307,0.7879108532293537,3.58,7.499201727861934,7.502076056215245,7.502320436408858,7.502080981504334,7.502269447272173,7.502002682634993,7.502158196171966,7.501922823827019,7.50201668135607,7.502089146770647,second
+276,13.79,91,9.26673833014593e+16,3.22,1.169381359556317,69.8,Unknown,Enzyme,1,0.5546437887784947,0.42356232229259816,4.56,1.4392210101800178,1.4379845252692236,1.4400126785609622,1.4382101590133631,1.4386118856457821,1.4393451899121994,1.4379339614241866,1.4407670169116644,1.438090206273063,1.440467650765852,4.84,4.84,4.84,4.84,4.84,4.84,4.84,4.84,4.84,4.84,4.84,2.86,3.9002596632733275,3.900671824910259,3.899995773813013,3.9005966136622128,3.9004627047847396,3.900218270029267,3.9006886795252713,3.899744327696112,3.900636597908979,3.899844116411383,third
+276,5.64,95,1.7747842110620912e+17,0.88,-0.12783337150988489,36.2,Linear,Acid,0,0.1858581888992453,0.11751250789166998,8.56,8.411313448880604,8.262626897761207,8.113940346641812,7.965253795522416,7.81656724440302,7.667880693283623,7.519194142164227,7.37050759104483,7.221821039925434,7.073134488806038,2.78,2.78,2.78,2.78,2.78,2.78,2.78,2.78,2.78,2.78,2.78,4.26,4.408686551119396,4.557373102238792,4.706059653358189,4.854746204477585,5.003432755596981,5.1521193067163775,5.3008058578357735,5.44949240895517,5.598178960074566,5.746865511193962,zero
+279,12.64,98,2.315111762399626e+17,3.2,1.1631508098056809,77.4,Ring,Base,1,0.10381448865500648,0.07080872151704684,9.83,9.075992640208536,8.420011685425623,7.849492361077487,7.353725251445983,6.9229367846136824,6.548287927248561,6.222136017847709,5.9384941833910565,5.691891399313517,5.4774409316878385,4.5,4.5,4.5,4.5,4.5,4.5,4.5,4.5,4.5,4.5,4.5,0.15,0.9040073597914642,1.5599883145743774,2.1305076389225137,2.6262747485540165,3.057063215386317,3.4317120727514396,3.7578639821522914,4.041505816608944,4.288108600686483,4.502559068312162,first
+280,12.35,93,6.007132237451479e+16,2.66,0.9783261227936078,33.6,Linear,Enzyme,0,0.26833542449995645,0.16840235021012556,9.08,1.4133388891903602,0.9800140618046262,0.7864232627362477,0.6711393139712096,0.5917680821536192,0.53370924146711,0.4886437810188961,0.4521150127460213,0.421986744131197,0.3965479991293702,4.69,0.8566694445951805,0.6400070309023135,0.5432116313681242,0.48556965698560517,0.44588404107680996,0.41685462073355534,0.39432189050944844,0.376057506373011,0.3609933720655989,0.34827399956468547,2.09,5.923330555404821,6.139992969097688,6.236788368631877,6.294430343014396,6.334115958923191,6.363145379266446,6.385678109490553,6.40394249362699,6.419006627934402,6.431726000435315,third
+278,9.72,100,1.6390586199099597e+17,4.0,1.3862943611198906,153.3,Linear,None,0,0.026575228959458578,0.01878971006995856,7.94,7.772975916406572,7.609465316106784,7.449394290280932,7.292690434409232,7.1392829223762435,6.989102506555463,6.842081322260722,6.698152884699563,6.557252088973231,6.419315210076682,3.38,3.38,3.38,3.38,3.38,3.38,3.38,3.38,3.38,3.38,3.38,2.23,2.23,2.23,2.23,2.23,2.23,2.23,2.23,2.23,2.23,2.23,first
+272,12.0,91,4.165879318762682e+17,4.16,1.425515074273172,42.7,Linear,Enzyme,0,1.391604454340895,0.7505188937661774,7.59,0.3870899429544974,0.2740771401490576,0.22371154788123773,0.193806850543644,0.17331330131712422,0.15832744501223223,0.14649951233513833,0.1370180133976781,0.1292366613874796,0.12263227814688943,3.2,3.2,3.2,3.2,3.2,3.2,3.2,3.2,3.2,3.2,3.2,1.59,3.990970019015168,4.028640953283648,4.0454294840395875,4.055397716485452,4.062228899560959,4.067224184995923,4.071166829221621,4.074327328867441,4.076921112870841,4.079122573951038,third
+275,6.21,90,4.343875807477743e+17,3.85,1.3480731482996928,70.1,Ring,Enzyme,1,3.4856749578985164,2.9144285771510905,7.47,1.253149922741965,1.2505682159862235,1.2523335883702011,1.2502890991223115,1.2529127271042708,1.2504245947200088,1.2526199884874178,1.2503458794665259,1.252584074364505,1.251693213990738,0.15,0.15,0.15,0.15,0.15,0.15,0.15,0.15,0.15,0.15,0.15,0.27,2.3422833590860126,2.3431439280045927,2.3425554705432674,2.343236966959231,2.342362424298578,2.3431918017599993,2.342460003837531,2.3432180401778293,2.3424719752118364,2.3427689286697593,third
+275,5.82,93,4.4574748362816083e+17,4.21,1.43746264769429,118.5,Unknown,Acid,1,0.9630423132811103,0.7301677915445792,4.44,1.4429388764607733,1.440446965856669,1.442907463404245,1.4403867670123014,1.4426983696365734,1.440676665427639,1.4426796936936315,1.44052324660739,1.4425928551835532,1.4418836405051845,3.36,3.36,3.36,3.36,3.36,3.36,3.36,3.36,3.36,3.36,3.36,2.95,3.9490203745130756,3.9498510113811105,3.9490308455319187,3.949871077662567,3.9491005434544766,3.949774444857454,3.94910676876879,3.9498255844642043,3.9491357149388167,3.9493721198316067,third
+278,5.37,91,2.635093468376439e+16,1.71,0.5364933705145685,155.2,Ring,None,0,0.20979209780624908,0.11807517933966938,8.78,7.423440707695945,6.276020833492563,5.305190004806305,4.485320246150452,3.7933046537701527,3.2082945439663657,2.7125616770523084,2.2933603649782146,1.9391281261737514,1.6396356091203659,1.64,1.64,1.64,1.64,1.64,1.64,1.64,1.64,1.64,1.64,1.64,1.04,2.3965592923040537,3.5439791665074356,4.514809995193692,5.334679753849546,6.026695346229845,6.611705456033633,7.10743832294769,7.526639635021783,7.880871873826247,8.180364390879632,first
+276,2.26,95,4.601124869813637e+17,4.75,1.55814461804655,113.2,Linear,Enzyme,1,0.4818370198882283,0.302211760453375,3.38,2.6811384516787244,2.3084194533316054,2.1096512281649225,2.002765013584901,1.946536644900905,1.915699989465718,1.8997427471252955,1.891189156417855,1.8863862152775224,1.8840052978713904,4.17,4.17,4.17,4.17,4.17,4.17,4.17,4.17,4.17,4.17,4.17,1.5,2.198861548321275,2.5715805466683945,2.7703487718350774,2.877234986415099,2.9334633550990947,2.964300010534282,2.980257252874704,2.988810843582145,2.9936137847224775,2.9959947021286095,first
+280,10.57,90,1.228937092974123e+17,1.26,0.23111172096338664,100.7,Linear,Acid,1,1.9916707299617735,1.4208812980470462,2.34,2.195788367106927,2.1948835178697266,2.1952144193508745,2.1948641193092446,2.195140287046389,2.1948844353727597,2.1950358789767677,2.1945997739402836,2.195175358477028,2.1949481636859502,0.41,0.26578836710692727,0.2648835178697267,0.2652144193508748,0.2648641193092448,0.2651402870463892,0.2648844353727595,0.2650358789767675,0.2645997739402834,0.2651753584770278,0.26494816368594987,0.67,0.8142116328930729,0.8151164821302734,0.8147855806491253,0.8151358806907555,0.814859712953611,0.8151155646272408,0.8149641210232328,0.815400226059717,0.8148246415229725,0.8150518363140505,second
+271,10.76,99,3.405951337468536e+17,1.47,0.3852624007906449,151.3,Linear,Acid,1,0.028152832098174468,0.025228184879390676,7.43,5.717655560970247,4.734555139618925,4.101004653551605,3.6754813763785728,3.373055544688082,3.1571125848013954,2.9978316014982953,2.8771415709605006,2.7862975575837154,2.7171401581555954,3.17,3.17,3.17,3.17,3.17,3.17,3.17,3.17,3.17,3.17,3.17,4.38,5.236172219514876,5.727722430190538,6.044497673224198,6.2572593118107145,6.40847222765596,6.516443707599303,6.596084199250853,6.656429214519751,6.701851221208143,6.736429920922203,second
+272,7.43,100,3.858180237766938e+17,0.84,-0.1743533871447778,88.9,Ring,Base,0,0.024086691792467647,0.012778299415021292,1.82,1.8007306465660258,1.7814612931320517,1.7621919396980776,1.7429225862641036,1.7236532328301295,1.7043838793961552,1.6851145259621811,1.665845172528207,1.646575819094233,1.627306465660259,4.06,4.06,4.06,4.06,4.06,4.06,4.06,4.06,4.06,4.06,4.06,1.03,1.0492693534339743,1.0685387068679484,1.0878080603019225,1.1070774137358965,1.1263467671698706,1.1456161206038449,1.164885474037819,1.184154827471793,1.203424180905767,1.2226935343397412,zero
+271,5.8,97,1.872278782272092e+17,1.33,0.28517894223366247,182.5,Linear,Base,0,0.037597899994274216,0.022371924005393687,3.38,3.3499216800045803,3.319843360009161,3.2897650400137417,3.259686720018322,3.2296084000229026,3.1995300800274835,3.169451760032064,3.1393734400366444,3.1092951200412253,3.079216800045806,1.42,1.42,1.42,1.42,1.42,1.42,1.42,1.42,1.42,1.42,1.42,4.4,4.4300783199954195,4.4601566399908394,4.4902349599862585,4.5203132799816785,4.550391599977098,4.580469919972517,4.610548239967937,4.640626559963356,4.670704879958775,4.700783199954195,zero
+277,2.08,91,1.9405281963844877e+17,3.88,1.355835153635182,135.7,Unknown,Base,1,1.3402437539660608,0.8330376926548749,4.87,1.4257067746133552,1.4254925188327294,1.4255089666776652,1.425732890754247,1.4261779351668245,1.4268259660355378,1.4275536622263068,1.4280991604266047,1.4281007845873928,1.4275626907730319,4.76,4.76,4.76,4.76,4.76,4.76,4.76,4.76,4.76,4.76,4.76,3.52,4.668097741795549,4.66816916038909,4.6681636777741105,4.6680890364152505,4.667940688277725,4.667724677988154,4.667482112591231,4.667300279857797,4.6672997384708665,4.667479103075653,third
+279,2.04,92,3.212949025128505e+17,3.05,1.1151415906193203,162.0,Unknown,Acid,0,1.9140620199081713,1.3636176466096268,9.69,5.880287175945755,5.879999834250736,5.880000855817269,5.879998918489139,5.879999529444183,5.880000850827371,5.880000182690281,5.879999576041601,5.880000278968451,5.880000522111287,3.81,0.0002871759457551298,-1.6574926423372767e-07,8.558172691747452e-07,-1.0815108615601188e-06,-4.705558174798485e-07,8.508273701296432e-07,1.8269027958648504e-07,-4.239584000539348e-07,2.7896845025083134e-07,5.221112870236279e-07,0.82,4.629712824054245,4.630000165749264,4.62999914418273,4.630001081510861,4.630000470555816,4.629999149172629,4.629999817309719,4.630000423958399,4.629999721031549,4.629999477888712,second
+276,10.38,100,2.3952274038031363e+17,3.94,1.3711807233098425,194.1,Linear,Enzyme,1,0.02838370007206706,0.021563938170102978,1.16,1.1521511328271257,1.1462680519572193,1.141880415269676,1.1385721614081066,1.1359774617110532,1.1339981207307586,1.1325791563454457,1.1316164759849965,1.1309568766309532,1.1303980448165172,4.45,4.45,4.45,4.45,4.45,4.45,4.45,4.45,4.45,4.45,4.45,1.88,1.8826162890576248,1.8845773160142603,1.8860398615767746,1.8871426128639643,1.8880075127629823,1.888667293089747,1.8891402812181848,1.8894611746716679,1.8896810411230156,1.8898673183944943,third
+276,12.33,94,9.142074813894166e+16,4.57,1.5195132049061133,189.1,Unknown,None,0,0.14802793911094145,0.10909225536206008,8.35,2.8114423794434438,1.6898911180648517,1.207899721746819,0.940802605717399,0.7692693102754407,0.6517503944966172,0.5643809632838356,0.49809262299816404,0.44608834294182353,0.40350020591734703,2.6,2.6,2.6,2.6,2.6,2.6,2.6,2.6,2.6,2.6,2.6,4.47,7.239278810278279,7.800054440967575,8.041050139126591,8.1745986971413,8.26036534486228,8.319124802751691,8.362809518358082,8.395953688500919,8.42195582852909,8.443249897041326,second
+279,3.8,94,4.35354527904721e+17,1.42,0.35065687161316933,143.4,Ring,None,0,1.0950648741941655,0.8541534149007365,2.48,1.0329657572310988,0.4303470032725203,0.17925977988053582,0.07469642641551436,0.031133672585835485,0.012979664338297257,0.005412213810264048,0.002257044197624127,0.00094130558884081,0.0003922026667061362,2.54,2.54,2.54,2.54,2.54,2.54,2.54,2.54,2.54,2.54,2.54,1.58,3.0270342427689014,3.6296529967274798,3.8807402201194643,3.9853035735844857,4.028866327414165,4.047020335661704,4.054587786189737,4.057742955802377,4.05905869441116,4.059607797333295,first
+274,12.61,100,9.887713818172554e+16,0.54,-0.616186139423817,122.6,Ring,Acid,1,0.008524523897178657,0.004552661794638182,4.06,3.830806076322397,3.648738979404633,3.499968062131677,3.3762498551207485,3.2729762008976513,3.1859269039376463,3.11118794181077,3.0452029597844477,2.986852766974918,2.9354946118582386,1.31,1.1954030381611984,1.1043694897023166,1.0299840310658386,0.9681249275603743,0.9164881004488257,0.8729634519688231,0.835593970905385,0.8026014798922241,0.7734263834874592,0.7477473059291193,4.88,4.994596961838802,5.085630510297683,5.160015968934162,5.221875072439626,5.273511899551174,5.317036548031177,5.354406029094616,5.387398520107776,5.416573616512541,5.442252694070881,third
+270,2.49,91,4.0799148837042144e+17,1.63,0.4885800148186709,199.3,Branched,Base,0,1.0115956718807348,0.6618574474822763,4.72,2.0995264862141516,0.9360383810462122,0.4172089737901109,0.18602115207974954,0.08291567388652715,0.036920348269074074,0.01643797790122148,0.007323055907229249,0.003264573411876178,0.0014560714539247972,0.02,0.02,0.02,0.02,0.02,0.02,0.02,0.02,0.02,0.02,0.02,0.07,0.07,0.07,0.07,0.07,0.07,0.07,0.07,0.07,0.07,0.07,first
+280,13.4,99,2.544384874648596e+17,1.03,0.02955880224154443,35.8,Ring,None,0,0.08634545497120039,0.04959637649633691,9.83,4.181451556894028,2.654890435792858,1.943564346565875,1.5328120440140949,1.266527962672946,1.0782330673649572,0.9385058104082931,0.8318831608130017,0.746367413822266,0.6766025617681736,1.28,1.28,1.28,1.28,1.28,1.28,1.28,1.28,1.28,1.28,1.28,4.11,6.934274221552986,7.6975547821035715,8.053217826717063,8.258593977992954,8.391736018663527,8.485883466317523,8.555747094795855,8.6090584195935,8.651816293088867,8.686698719115913,second
+278,12.57,97,4.883217315212413e+17,0.79,-0.23572233352106983,37.3,Branched,Base,1,0.2899292985317845,0.21577753637182664,3.29,2.045567847805432,1.9058552775004312,1.8861547167867792,1.883168977677992,1.8830475010975531,1.8828600551912422,1.8816365253327412,1.881789968395852,1.8857524385553746,1.8835660132655978,2.14,2.14,2.14,2.14,2.14,2.14,2.14,2.14,2.14,2.14,2.14,4.06,4.6822160760972835,4.752072361249784,4.76192264160661,4.7634155111610035,4.763476249451222,4.763569972404378,4.764181737333629,4.764105015802072,4.762123780722312,4.7632169933672,second
+279,5.07,91,3.753396740154059e+17,4.11,1.4134230285081433,167.2,Linear,Enzyme,0,3.4411558060934926,2.7642092514860224,3.51,0.17337039298373197,0.08893175346027869,0.05978666624604366,0.04501075955700824,0.036086275599528005,0.030135012271685177,0.025864326716437076,0.022634970842991042,0.020147729121062836,0.018151105275819222,3.51,3.51,3.51,3.51,3.51,3.51,3.51,3.51,3.51,3.51,3.51,4.84,6.508314803508133,6.55053412326986,6.565106666876978,6.572494620221495,6.576956862200236,6.579932493864157,6.58206783664178,6.583682514578504,6.584926135439468,6.58592444736209,second
+271,9.8,92,1.3212400962777243e+17,1.41,0.34358970439007686,139.0,Branched,Enzyme,0,0.24408909131779366,0.15902804677149907,5.0,3.156921210887238,2.4772887298391684,2.1367789834162454,1.938402426661589,1.813622021010487,1.7308549238711253,1.674268018786742,1.634414768662578,1.6062284092201073,1.5858434541585675,3.47,1.6269212108872384,0.9472887298391683,0.6067789834162453,0.4084024266615889,0.2836220210104869,0.20085492387112502,0.14426801878674206,0.10441476866257801,0.07622840922010739,0.05584345415856751,2.15,3.993078789112762,4.672711270160831,5.0132210165837545,5.211597573338411,5.336377978989512,5.419145076128874,5.475731981213257,5.515585231337422,5.543771590779892,5.564156545841431,second
+274,4.36,91,3.97243727618484e+17,2.57,0.9439058989071284,44.1,Linear,Base,0,1.7800393827830154,1.5544207123209053,5.29,1.2748872220359058,0.3072577018139884,0.07412893534157233,0.017855875099691748,0.004310622426958233,0.0010376962826922445,0.00025074526266441563,6.0622501297023e-05,1.4739835777394892e-05,3.720856207997727e-06,4.39,4.39,4.39,4.39,4.39,4.39,4.39,4.39,4.39,4.39,4.39,1.94,1.94,1.94,1.94,1.94,1.94,1.94,1.94,1.94,1.94,1.94,first
+272,9.96,97,4.388159135345616e+17,1.3,0.26236426446749106,161.4,Branched,None,0,0.10323219763642041,0.0695487637729011,2.1,1.1798660333576807,0.9084469367873491,0.7654381826235405,0.6745968440372088,0.6091905883252878,0.5601778730900949,0.5215393697137278,0.48958094898983046,0.46287668414250993,0.4401111496570109,4.6,4.6,4.6,4.6,4.6,4.6,4.6,4.6,4.6,4.6,4.6,0.86,1.1667113222141063,1.2571843544042172,1.3048539391254865,1.3351343853209305,1.3569364705582374,1.3732740423033016,1.3861535434287573,1.3968063503367232,1.4057077719524969,1.413296283447663,third
+276,5.25,93,3.939915158186636e+17,4.3,1.4586150226995167,141.6,Linear,Enzyme,1,0.9863897918404699,0.8835042445896251,9.75,2.418418855745732,2.4184033310403543,2.417588797069014,2.417824785427774,2.4173877543438174,2.4181337248897856,2.417307002729244,2.418545672994663,2.4172742790620467,2.4183884498607946,4.9,4.9,4.9,4.9,4.9,4.9,4.9,4.9,4.9,4.9,4.9,2.86,6.525790572127134,6.525798334479822,6.526205601465493,6.5260876072861125,6.526306122828091,6.525933137555106,6.526346498635377,6.525727163502666,6.526362860468975,6.525805775069601,second
+275,1.84,92,3.804488487508432e+17,3.58,1.275362800412609,170.1,Branched,None,0,1.27292773456745,0.7837307872844933,5.27,1.9050458443130482,0.6891219743756032,0.24920620366700696,0.09011256040074644,0.032581193701371,0.011779602102055127,0.004258842609583739,0.001539845189140729,0.0005568751985651758,0.00020160285319563355,3.0,3.0,3.0,3.0,3.0,3.0,3.0,3.0,3.0,3.0,3.0,3.74,3.74,3.74,3.74,3.74,3.74,3.74,3.74,3.74,3.74,3.74,first
+272,10.55,98,3.049160440898674e+17,0.57,-0.5621189181535413,127.1,Linear,Base,0,0.04609640187578883,0.03031393324626918,3.0,2.54121544828974,2.184986922217702,1.8999410950333155,1.6686626808643812,1.4786710343715008,1.3190976732949167,1.1816307802176578,1.0633043481694875,0.9607719856909308,0.8711830068083013,4.74,4.28121544828974,3.9249869222177023,3.6399410950333158,3.4086626808643814,3.218671034371501,3.059097673294917,2.9216307802176575,2.8033043481694877,2.7007719856909307,2.611183006808301,3.81,4.26878455171026,4.625013077782298,4.910058904966684,5.141337319135619,5.331328965628499,5.490902326705084,5.628369219782342,5.746695651830512,5.849228014309069,5.938816993191699,second
+273,8.0,98,1.0928461546176059e+17,2.81,1.0331844833456545,186.6,Branched,None,0,0.019363568131186344,0.011448966776573092,6.41,3.989362238251998,3.0894791507384465,2.5910118326364087,2.259784258580122,2.0232349129931695,1.8412334493568057,1.6959932351064848,1.577993939108773,1.4793355676325748,1.39429472815159,3.82,2.6096811191259985,2.1597395753692235,1.9105059163182043,1.7448921292900612,1.626617456496585,1.5356167246784032,1.4629966175532425,1.4039969695543868,1.3546677838162875,1.3121473640757952,4.91,6.1203188808740006,6.570260424630776,6.819494083681795,6.985107870709938,7.103382543503415,7.194383275321596,7.267003382446757,7.326003030445612,7.375332216183712,7.417852635924204,third
+274,11.23,94,1.0203990076010618e+17,3.11,1.1346227261911428,57.8,Unknown,Enzyme,1,0.1225207981753651,0.09904204912791605,3.81,3.8585243765316752,3.8874046903908455,3.904813105101349,3.915012030010222,3.920904802309744,3.9246642825135774,3.9267312428441534,3.9278452445123313,3.928640103415596,3.9291058656314797,0.52,0.568524376531675,0.5974046903908453,0.6148131051013488,0.6250120300102218,0.630904802309744,0.6346642825135774,0.6367312428441536,0.6378452445123312,0.6386401034155962,0.6391058656314799,3.23,3.181475623468325,3.1525953096091546,3.135186894898651,3.1249879699897782,3.119095197690256,3.1153357174864227,3.1132687571558466,3.1121547554876687,3.111359896584404,3.1108941343685204,second
+278,3.46,95,2.2148449264856973e+17,1.88,0.6312717768418578,82.8,Ring,Enzyme,1,0.3124148914373362,0.17849465753575522,9.15,4.532114924151611,4.526799711163787,4.526882643438458,4.526692707043676,4.526867759286527,4.526905171576055,4.526725045874456,4.526734000384279,4.527002432911977,4.526814149779045,2.39,0.08105746207580525,0.07839985558189323,0.0784413217192287,0.07834635352183791,0.07843387964326345,0.07845258578802741,0.07836252293722806,0.07836700019213888,0.07850121645598797,0.07840707488952202,0.5,2.8089425379241946,2.8116001444181067,2.8115586782807713,2.8116536464781623,2.8115661203567366,2.8115474142119727,2.811637477062772,2.811632999807861,2.8114987835440117,2.8115929251104776,third
+272,3.92,100,3.921859820001547e+16,3.48,1.247032293786383,47.1,Linear,Enzyme,1,0.0024484244622100587,0.0018527361581024155,8.79,8.756722793129644,8.724191280256026,8.692384696143572,8.661282981093201,8.630866834395968,8.601117639057517,8.572017372474486,8.543548606409976,8.515694506993553,8.488438834721247,2.09,2.0567227931296435,2.0241912802560256,1.9923846961435723,1.9612829810932029,1.9308668343959683,1.901117639057517,1.8720173724744862,1.8435486064099766,1.815694506993554,1.7884388347212474,1.57,1.6032772068703567,1.6358087197439743,1.6676153038564279,1.6987170189067973,1.7291331656040319,1.758882360942483,1.787982627525514,1.8164513935900235,1.8443054930064462,1.8715611652787527,second
+279,8.54,93,2.8341036071470246e+17,4.57,1.5195132049061133,184.0,Unknown,None,1,1.0970848037736045,0.7261024513944437,6.39,3.236323509944507,3.206925197845345,3.2066249167620784,3.2073376112041685,3.20705548582264,3.206069768419742,3.2055674923718143,3.2071481079691435,3.2064794116008435,3.2066656849229784,4.08,0.9263235099445072,0.896925197845345,0.8966249167620784,0.8973376112041681,0.8970554858226394,0.8960697684197418,0.8955674923718141,0.8971481079691435,0.8964794116008431,0.8966656849229784,1.16,4.313676490055492,4.343074802154655,4.343375083237921,4.342662388795832,4.34294451417736,4.343930231580258,4.344432507628187,4.342851892030857,4.343520588399158,4.343334315077023,second
+277,1.73,97,3.5697764988830176e+17,3.68,1.3029127521808397,181.6,Ring,Base,1,0.18214940237376862,0.10935614486318601,6.3,2.630086592861527,2.053400808962419,1.8989445652823111,1.8520824502016846,1.8378198992808366,1.833443159599911,1.8315928805980801,1.8314258408066757,1.8313253631085948,1.8311422905362755,3.05,3.05,3.05,3.05,3.05,3.05,3.05,3.05,3.05,3.05,3.05,3.35,5.184956703569236,5.47329959551879,5.550527717358843,5.573958774899157,5.58109005035958,5.583278420200043,5.584203559700959,5.584287079596661,5.5843373184457015,5.58442885473186,second
+280,5.06,95,6.828030617575638e+16,1.44,0.36464311358790924,40.4,Branched,Acid,1,0.1291779031701846,0.09401191080579888,3.98,1.6874310058454547,1.614540461901943,1.6087013269660015,1.6081719188772818,1.6071485200777738,1.6075398368987397,1.6094351048084745,1.6068050079828191,1.6067559355137842,1.610095424732041,3.49,3.49,3.49,3.49,3.49,3.49,3.49,3.49,3.49,3.49,3.49,4.92,5.684189664718182,5.708486512699352,5.710432891011333,5.71060936037424,5.71095049330741,5.710820054367088,5.710188298397176,5.7110649973390615,5.711081354828741,5.709968191755989,third
+270,10.55,99,3.512750751276093e+17,4.16,1.425515074273172,140.6,Unknown,Base,0,0.024674835137593568,0.020388352655240076,4.93,4.833636678171537,4.739156904655916,4.646523863161594,4.555701437477982,4.466654235363271,4.3793475977725205,4.293747512053284,4.209820609824426,4.12753416697613,4.046856103669883,3.79,3.79,3.79,3.79,3.79,3.79,3.79,3.79,3.79,3.79,3.79,4.55,4.55,4.55,4.55,4.55,4.55,4.55,4.55,4.55,4.55,4.55,first
+271,1.35,90,4.443763813283349e+17,0.83,-0.18632957819149348,127.7,Branched,None,0,1.9944677345622912,1.4964875007477958,2.76,0.28246460399904666,0.1487210215442389,0.10096689045506446,0.07648540421372339,0.061498962796229475,0.05146790923950422,0.04419666777578168,0.038783221798865584,0.03453042336350758,0.03110316785689122,1.41,1.41,1.41,1.41,1.41,1.41,1.41,1.41,1.41,1.41,1.41,4.04,5.278767698000477,5.345639489227882,5.369516554772469,5.381757297893139,5.389250518601886,5.394266045380249,5.39790166611211,5.400608389100569,5.402734788318248,5.404448416071556,second
+280,6.33,92,3.425960069760603e+17,1.26,0.23111172096338664,183.1,Unknown,Acid,0,2.351538741620302,1.8170977175820053,1.74,0.2943913335367459,0.20962205907798692,0.17148556965251155,0.14860450340870146,0.13305916895791264,0.1215236513620367,0.11248239552368149,0.1052710559851309,0.0993221343528761,0.09422420853530858,0.44,0.44,0.44,0.44,0.44,0.44,0.44,0.44,0.44,0.44,0.44,2.38,2.8618695554877513,2.890125980307338,2.902838143449163,2.910465165530433,2.915646943680696,2.9194921162126546,2.922505868158773,2.924909648004957,2.926892621882375,2.9285919304882304,third
+276,6.44,92,1.2397787813087275e+17,2.34,0.85015092936961,172.8,Branched,Enzyme,1,0.47991980871297907,0.3946181012709669,2.35,2.5342991909647288,2.5358532045047464,2.534489262368191,2.5361808554658896,2.5344211253084823,2.536640185222376,2.534668011663646,2.5359728659743297,2.5344977858466633,2.535314465696268,0.49,0.5821495954823643,0.5829266022523734,0.5822446311840955,0.583090427732945,0.5822105626542411,0.5833200926111881,0.582334005831823,0.5829864329871648,0.5822488929233317,0.5826572328481339,4.65,4.5578504045176365,4.557073397747628,4.557755368815905,4.556909572267056,4.55778943734576,4.556679907388813,4.557665994168178,4.557013567012836,4.55775110707667,4.557342767151867,third
+275,6.86,100,1.7480251072941197e+17,2.54,0.9321640810304452,122.7,Unknown,None,1,0.017678568485670346,0.008974655630917724,8.13,8.019361411082778,7.911056948717898,7.805037283921777,7.701254261048756,7.5996607879381886,7.500210701327114,7.402858766850261,7.307560679040049,7.214273061326586,7.122953466037667,2.25,2.25,2.25,2.25,2.25,2.25,2.25,2.25,2.25,2.25,2.25,0.44,0.550638588917221,0.6589430512821024,0.7649627160782234,0.8687457389512436,0.9703392120618117,1.069789298672887,1.1671412331497395,1.2624393209599516,1.3557269386734148,1.4470465339623337,first
+279,7.65,96,1.4171579864353037e+17,1.24,0.2151113796169455,173.7,Linear,Acid,0,0.1505080274214087,0.08049694638860559,1.73,1.5337482757113137,1.3597605291008072,1.2053963621360488,1.0683436131802466,0.9468776285509419,0.8393725257424882,0.7442852404297378,0.6601555264680425,0.5856059558932543,0.5193419189217237,3.86,3.86,3.86,3.86,3.86,3.86,3.86,3.86,3.86,3.86,3.86,0.4,0.4,0.4,0.4,0.4,0.4,0.4,0.4,0.4,0.4,0.4,first
+277,3.37,90,9.884227847757957e+16,2.52,0.9242589015233319,42.1,Ring,Base,0,1.0538677163219803,0.6438778795025016,9.51,8.666905826942415,7.823811653884831,6.980717480827247,6.137623307769662,5.294529134712079,4.451434961654494,3.6083407885969097,2.7652466155393256,1.9221524424817424,1.0790582694241557,0.64,0.64,0.64,0.64,0.64,0.64,0.64,0.64,0.64,0.64,0.64,0.01,0.8530941730575843,1.6961883461151686,2.5392825191727533,3.3823766922303373,4.225470865287921,5.068565038345506,5.91165921140309,6.754753384460674,7.597847557518257,8.440941730575844,zero
+272,12.13,99,4.8801379202283456e+17,4.65,1.536867219599265,49.4,Unknown,None,1,0.04741030977204758,0.04203902309127937,1.12,1.1624798447924287,1.2004626242494596,1.2343334258084517,1.2644893235123806,1.2912559293567791,1.3149414524790541,1.335846115235046,1.3542621531990284,1.370473815163708,1.3847573631402248,0.86,0.9024798447924285,0.9404626242494594,0.9743334258084516,1.0044893235123804,1.031255929356779,1.054941452479054,1.0758461152350458,1.0942621531990282,1.1104738151637077,1.1247573631402246,2.42,2.3775201552075713,2.3395373757505404,2.305666574191548,2.275510676487619,2.2487440706432205,2.2250585475209457,2.2041538847649536,2.185737846800971,2.169526184836292,2.155242636859775,second
+280,6.32,90,1.2398212833105277e+17,4.29,1.4562867329399256,160.1,Branched,Acid,1,2.0093101383873813,1.1768671582664303,1.5,2.0814685319658173,2.1275384403450777,2.1311612392667736,2.131810815227967,2.130585490611901,2.130845354679996,2.1324170581129573,2.131369976155587,2.1294426073588815,2.1307962716641833,1.27,1.27,1.27,1.27,1.27,1.27,1.27,1.27,1.27,1.27,1.27,4.27,3.6885314680341823,3.642461559654922,3.638838760733226,3.6381891847720325,3.6394145093880987,3.6391546453200037,3.6375829418870422,3.6386300238444127,3.640557392641118,3.6392037283358163,first
+275,13.84,98,2.4963409078488294e+17,4.2,1.4350845252893227,157.7,Branched,Enzyme,0,0.06054877124091824,0.034037293485438144,1.39,1.2250356322332854,1.0950040116717845,0.989743566316917,0.9033929916520014,0.8312880588351177,0.7696040069334824,0.7161838345106631,0.6697270440428139,0.6289530056221491,0.5928443908485264,2.64,2.64,2.64,2.64,2.64,2.64,2.64,2.64,2.64,2.64,2.64,0.15,0.23248218388335729,0.2974979941641077,0.3501282168415415,0.39330350417399934,0.4293559705824411,0.4601979965332589,0.4869080827446685,0.5101364779785931,0.5305234971889256,0.5485778045757369,second
+274,3.87,96,2.0325251147594723e+17,1.17,0.1570037488096647,149.0,Linear,Base,0,0.10143485094590368,0.07364312166877833,8.73,8.049559892329377,7.4221561380874554,6.84361453129466,6.310044019291026,5.818075617977258,5.3645507330485485,4.946491021759114,4.561098392922189,4.205755006910035,3.8780232756539332,0.94,0.94,0.94,0.94,0.94,0.94,0.94,0.94,0.94,0.94,0.94,3.41,3.41,3.41,3.41,3.41,3.41,3.41,3.41,3.41,3.41,3.41,first
+270,12.07,91,4.373401655626016e+17,3.44,1.235471471385307,197.7,Linear,Enzyme,0,1.0843643341428242,0.643523493135051,3.21,1.3476489093713473,0.5667151138039164,0.2382097841296226,0.10016098039645016,0.04212313512403526,0.017716333199927742,0.00745060495870699,0.003132238547914161,0.0013160183884367448,0.0005533403942055064,1.33,1.33,1.33,1.33,1.33,1.33,1.33,1.33,1.33,1.33,1.33,2.63,2.63,2.63,2.63,2.63,2.63,2.63,2.63,2.63,2.63,2.63,first
+277,4.95,91,2.8530167529073366e+17,1.54,0.43178241642553783,153.2,Unknown,Base,0,1.970462418515135,1.5927398715190029,5.91,1.2225626189101182,0.25347196227191154,0.05241265841536183,0.010859602833513482,0.0022495550350006763,0.0004652523569133964,9.658160561811156e-05,2.0236223356675915e-05,4.381627780634881e-06,9.387739854328683e-07,0.52,0.52,0.52,0.52,0.52,0.52,0.52,0.52,0.52,0.52,0.52,3.85,3.85,3.85,3.85,3.85,3.85,3.85,3.85,3.85,3.85,3.85,first
+273,12.84,90,4.8585411280251136e+17,3.72,1.3137236682850553,136.1,Unknown,Enzyme,0,2.921951131492253,1.733839476641783,9.17,6.729999005885,6.72999862021369,6.729999432397347,6.729997854608891,6.7299990010549005,6.729999344653273,6.72999891617217,6.729997741586433,6.729997796879148,6.730001495224869,1.22,-4.9705749989123e-07,-6.898931537969934e-07,-2.8380132519954304e-07,-1.0726955521343067e-06,-4.994725470490907e-07,-3.276733609708734e-07,-5.419139139116694e-07,-1.129206783789943e-06,-1.1015604258622178e-06,7.476124359708102e-07,3.96,5.1800004970575,5.180000689893155,5.180000283801328,5.180001072695556,5.180000499472548,5.180000327673363,5.180000541913916,5.180001129206787,5.18000110156043,5.179999252387567,third
+272,2.53,98,5.250631899265693e+16,1.07,0.06765864847381486,66.5,Ring,Enzyme,0,0.00793776656957589,0.004985037151709249,1.44,1.4141373801396233,1.3891873751477661,1.365102502484468,1.3418384209871081,1.3193539072343565,1.2976106930842357,1.2765726932184902,1.2562059822329852,1.2364787946377056,1.2173615248567569,4.77,4.77,4.77,4.77,4.77,4.77,4.77,4.77,4.77,4.77,4.77,3.07,3.082931309930188,3.0954063124261166,3.1074487487577658,3.1190807895064454,3.1303230463828213,3.1411946534578816,3.1517136533907544,3.161897008883507,3.1717606026811467,3.1813192375716213,second
+275,11.14,90,6.8436468338469784e+16,3.37,1.2149127443642704,84.0,Unknown,Base,0,0.549157698025742,0.3694290925899831,8.55,1.007187072445411,0.5353953043067109,0.3646023489691697,0.2764996475980511,0.22243355989431093,0.18634084780105606,0.16013969973309788,0.14039766982566398,0.1251381277199966,0.11278674861978927,2.28,2.28,2.28,2.28,2.28,2.28,2.28,2.28,2.28,2.28,2.28,4.43,8.201406463777294,8.437302347846645,8.522698825515414,8.566750176200975,8.593783220052844,8.61182957609947,8.62493015013345,8.634801165087167,8.64243093614,8.648606625690105,second
+278,5.83,92,1.205752988708724e+17,0.83,-0.18632957819149348,95.9,Branched,Enzyme,0,0.6228023943691464,0.5505722573328278,6.51,5.729999963081486,5.730002146404434,5.730001663858633,5.730001165509994,5.730000661994975,5.73000013150791,5.72999955939125,5.729998976250493,5.729998462979272,5.730000834978658,0.39,-1.845925711160011e-08,1.0732022173232172e-06,8.319293158599794e-07,5.827549966402397e-07,3.309974874328374e-07,6.575395497169726e-08,-2.2030437546591822e-07,-5.118747535249924e-07,-7.685103641382267e-07,4.17489328829693e-07,2.02,2.4100000184592574,2.4099989267977833,2.409999168070684,2.4099994172450034,2.409999669002513,2.4099999342460454,2.4100002203043753,2.410000511874754,2.4100007685103644,2.4099995825106713,third
+279,13.47,95,2.6555374598744112e+17,3.1,1.1314021114911006,132.3,Branched,None,0,0.4340317712478364,0.3283350024345953,4.96,3.5049659994669033,2.4758857434701236,1.750385394746642,1.2366897386408664,0.87371402564444,0.6181917963186109,0.4364961115659626,0.3085725740396311,0.21834996469922935,0.1542967569743972,3.82,3.82,3.82,3.82,3.82,3.82,3.82,3.82,3.82,3.82,3.82,0.27,1.7250340005330966,2.754114256529877,3.4796146052533583,3.993310261359134,4.35628597435556,4.611808203681389,4.793503888434038,4.92142742596037,5.011650035300772,5.075703243025603,first
+278,4.4,97,3.959347093749047e+17,1.55,0.4382549309311553,123.6,Branched,Base,0,0.23507672328209453,0.12724613861832706,3.36,1.4904278983284316,0.9563442606448236,0.7037196109582959,0.5572858544550382,0.46069249009892943,0.3932704669488423,0.3424698673365084,0.30350649955769204,0.2727471192737046,0.24742591576632503,1.04,1.04,1.04,1.04,1.04,1.04,1.04,1.04,1.04,1.04,1.04,4.22,5.154786050835783,5.421827869677588,5.548140194520852,5.621357072772481,5.669653754950535,5.703364766525579,5.7287650663317455,5.748246750221154,5.763626440363148,5.776287042116838,second
+274,5.27,97,1.2605290089990424e+17,1.38,0.3220834991691132,196.6,Ring,Enzyme,0,0.04055644334081451,0.026380279633656557,5.27,5.1017581065686475,4.938887251040037,4.781215830395114,4.628577374857629,4.480811901514161,4.337764256038742,4.199283842125789,4.065224621490106,3.935445113866885,3.8098083970117,0.2,0.2,0.2,0.2,0.2,0.2,0.2,0.2,0.2,0.2,0.2,3.14,3.308241893431353,3.4711127489599636,3.628784169604886,3.781422625142371,3.9291880984858385,4.072235743961258,4.210716157874211,4.344775378509894,4.474554886133115,4.6001916029883,first
+277,7.88,96,9.761634370446786e+16,4.12,1.415853163361435,22.4,Unknown,Enzyme,0,0.0768933495598438,0.05168574738686829,7.9,7.428679168713468,6.9854778474524615,6.568692886362808,6.176753204278446,5.808210352859337,5.461683315215156,5.135858473961126,4.8294896112180155,4.541397908612142,4.270471947275369,3.86,3.86,3.86,3.86,3.86,3.86,3.86,3.86,3.86,3.86,3.86,2.58,3.0513208312865325,3.494522152547539,3.911307113637193,4.303246795721554,4.671789647140662,5.0183166847848435,5.344141526038873,5.650510388781985,5.938602091387858,6.209528052724631,first
+279,12.52,96,3.4557533644689344e+17,1.46,0.37843643572024505,95.0,Ring,None,0,0.36701527078813123,0.31543437306650635,5.71,4.257094068738444,3.173966517008365,2.364128395691294,1.7626730276896214,1.3167654130660285,0.9816067934353881,0.7314453238538369,0.546007220932735,0.407394620019096,0.3037414717076157,1.89,1.89,1.89,1.89,1.89,1.89,1.89,1.89,1.89,1.89,1.89,2.86,2.86,2.86,2.86,2.86,2.86,2.86,2.86,2.86,2.86,2.86,first
+273,10.03,94,4.3870644975205914e+17,2.5,0.9162907318741551,46.2,Unknown,Enzyme,1,0.45286705869936167,0.25742838384792077,5.94,3.502652808073037,3.214110337337965,3.1634985110956104,3.1541779528409073,3.1525366266934802,3.1523556607767675,3.1518842358098578,3.1524262493748836,3.152092686915497,3.152267268048112,3.7,1.2626528080730366,0.9741103373379647,0.9234985110956103,0.9141779528409073,0.9125366266934802,0.9123556607767678,0.9118842358098578,0.9124262493748837,0.912092686915497,0.9122672680481118,2.27,4.707347191926963,4.9958896626620355,5.046501488904389,5.055822047159093,5.057463373306519,5.0576443392232315,5.058115764190141,5.0575737506251155,5.057907313084502,5.057732731951887,second
+272,8.75,96,3.607948566655361e+17,2.81,1.0331844833456545,70.7,Branched,Acid,1,0.13208064936466188,0.11441983256634763,8.23,4.8367278009111345,4.740287149785218,4.733717977388465,4.733207063518355,4.733185636817898,4.733224832068846,4.733050886908903,4.733087842243153,4.733391428398985,4.733239144571982,1.84,0.1433639004555669,0.09514357489260945,0.0918589886942324,0.09160353175917774,0.09159281840894913,0.0916124160344232,0.09152544345445175,0.09154392112157674,0.0916957141994925,0.09161957228599125,0.62,2.3166360995444326,2.3648564251073907,2.3681410113057675,2.3683964682408223,2.368407181591051,2.368387583965577,2.3684745565455483,2.3684560788784235,2.3683042858005074,2.368380427714009,third
+275,2.96,98,4.393078427747096e+17,0.75,-0.2876820724517809,102.2,Linear,Base,1,0.10655415689770026,0.05914455586074753,2.06,1.823322244878215,1.7093571328957655,1.6437009907003945,1.608820317059388,1.5886760959632902,1.5780450238837311,1.5722328695791963,1.5684248219627444,1.5666645277791638,1.5658569925486425,3.72,3.72,3.72,3.72,3.72,3.72,3.72,3.72,3.72,3.72,3.72,4.16,4.278338877560893,4.335321433552118,4.368149504649804,4.385589841470306,4.395661952018355,4.400977488058135,4.4038835652104025,4.405787589018629,4.4066677361104185,4.407071503725679,second
+277,4.73,90,8.462401753165205e+16,0.75,-0.2876820724517809,140.8,Unknown,Enzyme,0,0.9022709864210857,0.6211317337461157,3.99,0.592162116226405,0.319701001535113,0.21896527041003358,0.16652550693607168,0.13443641451798286,0.11259288677320047,0.09689994145835554,0.08511838812020525,0.07580341753765198,0.0683272199172102,1.63,1.63,1.63,1.63,1.63,1.63,1.63,1.63,1.63,1.63,1.63,2.07,3.7689189418867977,3.9051494992324436,3.955517364794983,3.9817372465319645,3.9977817927410086,4.0087035566133995,4.016550029270823,4.0224408059398975,4.027098291231174,4.030836390041395,second
+270,9.07,98,2.458423369079322e+17,3.58,1.275362800412609,134.4,Ring,Acid,0,0.02696076536259114,0.015074024250743223,5.72,4.58799151179682,3.829340847111414,3.2883958994421514,2.879705843948575,2.5615914441445757,2.3081660972367057,2.0996454498953248,1.925226473271754,1.777693405083725,1.6511375693760812,4.72,4.72,4.72,4.72,4.72,4.72,4.72,4.72,4.72,4.72,4.72,0.18,0.7460042441015899,1.1253295764442925,1.395802050278924,1.600147078025712,1.7592042779277117,1.8859169513816467,1.9901772750523372,2.0773867633641228,2.151153297458137,2.214431215311959,second
+279,10.71,97,2.892056752462265e+17,1.14,0.131028262406404,83.7,Ring,Acid,0,0.1995816058026899,0.12324002747446396,7.47,6.367636493760205,5.427967521278182,4.625609951979384,3.9404313735538627,3.3575443732292545,2.862820453146585,2.442853613364545,2.084960351859484,1.7777824274102143,1.5154339391500389,0.73,0.73,0.73,0.73,0.73,0.73,0.73,0.73,0.73,0.73,0.73,3.15,3.15,3.15,3.15,3.15,3.15,3.15,3.15,3.15,3.15,3.15,first
+272,8.67,92,7.387362993554066e+16,4.05,1.3987168811184478,174.3,Branched,Enzyme,0,0.15858149633031018,0.09721850953501339,5.94,1.128034781628417,0.8046938719030073,0.6589216576022845,0.5719590679744734,0.5116313981320095,0.46749874239572276,0.43316422204157745,0.4051797120528323,0.38203670914236604,0.36245014827282757,3.82,3.82,3.82,3.82,3.82,3.82,3.82,3.82,3.82,3.82,3.82,3.58,5.183988406123861,5.291768709365664,5.340359447465905,5.369346977341842,5.3894562006226625,5.4041670858680915,5.4156119259861395,5.424940095982389,5.432654430285877,5.439183283909056,third
+271,13.22,94,2.958046758882054e+17,0.85,-0.16251892949777494,26.5,Linear,None,1,0.22493769435816977,0.16802219600979368,9.65,4.664312421418327,4.647085774404151,4.646833083761246,4.6467253483170525,4.646977670473832,4.647247807024103,4.6467250481027556,4.64711340676869,4.6469096827990235,4.646979545840038,2.65,0.15715621070916266,0.14854288720207443,0.14841654188062178,0.14836267415852483,0.14848883523691397,0.1486239035120492,0.1483625240513758,0.14855670338434296,0.14845484139950985,0.14848977292001714,1.79,4.282843789290836,4.291457112797924,4.291583458119378,4.291637325841474,4.291511164763086,4.29137609648795,4.291637475948623,4.291443296615656,4.291545158600489,4.291510227079982,third
+271,13.91,96,7.411395016294714e+16,0.75,-0.2876820724517809,166.8,Linear,Enzyme,0,0.023197850455788014,0.019587965013321638,2.35,2.306790230635397,2.2643749653985608,2.2227395949760362,2.181869766376323,2.1417514153473056,2.1023707365466278,2.0637141673387327,2.0257683877948645,1.9885203206930642,1.9519571315181743,3.81,3.81,3.81,3.81,3.81,3.81,3.81,3.81,3.81,3.81,3.81,1.34,1.3832097693646033,1.4256250346014396,1.467260405023964,1.5081302336236768,1.5482485846526943,1.5876292634533722,1.626285832661267,1.6642316122051357,1.7014796793069358,1.7380428684818257,first
+273,2.97,93,4.9211565250266515e+17,3.25,1.1786549963416462,24.8,Unknown,Base,0,0.7892352588367519,0.6617213586091575,1.81,0.9620472224158749,0.5120420444205107,0.272695628377574,0.1449386367166113,0.07720853759316866,0.04109657228230675,0.021848278494657418,0.011641532023640794,0.00619312927638852,0.0032972286948834756,1.74,1.74,1.74,1.74,1.74,1.74,1.74,1.74,1.74,1.74,1.74,4.34,4.34,4.34,4.34,4.34,4.34,4.34,4.34,4.34,4.34,4.34,first
+280,2.23,93,2.992573466991949e+17,2.75,1.0116009116784799,25.8,Unknown,Base,0,1.3367667630257942,0.8696376823689526,2.75,0.39168227303264286,0.2783829322106106,0.22757914028672643,0.19738564416873483,0.17650839581149627,0.16129467031053973,0.14934547555993066,0.13967948569407695,0.13170518799693787,0.12495281154315055,4.29,4.29,4.29,4.29,4.29,4.29,4.29,4.29,4.29,4.29,4.29,3.56,4.346105908989119,4.383872355929797,4.400806953237757,4.4108714519437555,4.417830534729501,4.422901776563154,4.426884841480023,4.430106838101975,4.432764937334354,4.435015729485617,third
+271,12.45,96,4.0371162481860794e+17,1.06,0.058268908123975824,110.9,Unknown,Base,1,0.12636274114677218,0.09329901803438072,1.68,1.4475715069517048,1.2921601972968344,1.1846239007306414,1.1093123110665208,1.054766383841424,1.0151163147351683,0.98643176556853,0.9651963732568161,0.9493848197511482,0.9376721940826307,2.0,1.7675715069517048,1.6121601972968345,1.5046239007306415,1.429312311066521,1.3747663838414241,1.3351163147351683,1.30643176556853,1.2851963732568161,1.2693848197511481,1.2576721940826308,0.72,0.952428493048295,1.1078398027031655,1.2153760992693585,1.290687688933479,1.3452336161585758,1.3848836852648316,1.41356823443147,1.4348036267431838,1.4506151802488518,1.4623278059173692,second
+271,11.08,93,2.267517026564022e+16,1.49,0.3987761199573678,46.7,Unknown,Base,0,0.026875866298274428,0.019186815188928872,8.46,8.438499306961383,8.416998613922763,8.395497920884143,8.373997227845523,8.352496534806903,8.330995841768285,8.309495148729665,8.287994455691045,8.266493762652425,8.244993069613805,2.34,2.34,2.34,2.34,2.34,2.34,2.34,2.34,2.34,2.34,2.34,4.35,4.3715006930386195,4.393001386077239,4.4145020791158585,4.4360027721544775,4.457503465193097,4.479004158231717,4.500504851270337,4.522005544308956,4.543506237347576,4.565006930386195,zero
+275,2.56,97,3.566736492513724e+17,2.66,0.9783261227936078,38.9,Linear,Acid,0,0.13397490921305574,0.10175905857121915,6.94,5.232222389906936,4.463294143641764,4.046871659442529,3.7978092777727186,3.6415032772316565,3.538762741791584,3.47053574359794,3.424033870458076,3.392232593635002,3.3703496372853334,3.62,1.9122223899069366,1.1432941436417634,0.7268716594425292,0.477809277772718,0.3215032772316558,0.21876274179158317,0.15053574359793936,0.10403387045807569,0.0722325936350014,0.05034963728533326,0.23,1.9377776100930635,2.7067058563582367,3.123128340557471,3.3721907222272822,3.5284967227683444,3.631237258208417,3.699464256402061,3.745966129541925,3.777767406364999,3.7996503627146674,second
+272,2.17,100,2.083039982283079e+17,0.8,-0.2231435513142097,83.7,Branched,None,1,0.013004457789063674,0.011436409926440782,6.04,5.8058423756972735,5.653353199570454,5.55027956627471,5.478773858450173,5.427980131481938,5.391863461210757,5.365691125655736,5.3466586551588415,5.33288221894697,5.322766897787986,0.39,0.27292118784863684,0.19667659978522664,0.14513978313735504,0.10938692922508612,0.08399006574096893,0.06593173060537848,0.052845562827867926,0.04332932757942065,0.03644110947348507,0.031383448893992964,0.18,0.2970788121513632,0.3733234002147734,0.42486021686264497,0.46061307077491387,0.48600993425903105,0.5040682693946215,0.517154437172132,0.5266706724205794,0.533558890526515,0.538616551106007,third
+274,9.99,96,2.2436275967336032e+17,1.98,0.6830968447064438,187.7,Branched,Base,1,0.11197009532633552,0.07863047670373999,3.39,2.191533273157476,1.9684438839553398,1.905757758658219,1.8863862019483315,1.8797404341137771,1.8782088371716854,1.8771043180241689,1.8773836100182635,1.8771132245762205,1.8770431291899798,1.89,1.2907666365787378,1.1792219419776697,1.1478788793291093,1.1381931009741655,1.1348702170568885,1.1341044185858427,1.1335521590120843,1.1336918050091316,1.1335566122881102,1.1335215645949899,4.93,5.529233363421262,5.64077805802233,5.672121120670891,5.681806899025835,5.685129782943112,5.685895581414158,5.686447840987917,5.686308194990869,5.686443387711891,5.686478435405011,third
+275,1.23,93,9.609246089360931e+16,4.45,1.4929040961781488,49.4,Ring,Enzyme,1,0.20760881267263245,0.1664952694228358,1.58,1.5594671156800282,1.5565932326054823,1.5550956069422068,1.5543408942455859,1.554687786817293,1.5538615868372425,1.5543434564109144,1.5550940272614828,1.5542380450778546,1.5548453364269252,0.89,0.8797335578400141,0.8782966163027411,0.8775478034711034,0.8771704471227929,0.8773438934086465,0.8769307934186212,0.8771717282054572,0.8775470136307414,0.8771190225389273,0.8774226682134626,2.63,2.640266442159986,2.641703383697259,2.6424521965288963,2.642829552877207,2.642656106591353,2.643069206581379,2.6428282717945426,2.6424529863692583,2.6428809774610724,2.642577331786537,third
+274,7.98,98,3.9667283535286304e+17,2.32,0.8415671856782185,186.2,Ring,Base,1,0.0822801775341961,0.046452206782893204,4.34,4.15894023219784,3.99559974980936,3.848211301272178,3.7151539282898387,3.5951267359870647,3.4869194124038323,3.3893929702199435,3.301479746755021,3.222183403968513,3.150578928459691,0.83,0.83,0.83,0.83,0.83,0.83,0.83,0.83,0.83,0.83,0.83,2.56,2.7410597678021604,2.9044002501906396,3.051788698727822,3.184846071710161,3.3048732640129352,3.4130805875961676,3.510607029780057,3.598520253244979,3.6778165960314864,3.749421071540309,first
+275,6.42,91,1.0043651149472691e+17,4.44,1.4906543764441336,114.8,Linear,None,0,0.520415352802749,0.29433436445177785,6.29,1.012115225738576,0.5497524394947771,0.37753970939717796,0.28772808520292514,0.23212473926348226,0.19480295038450493,0.16755220876607127,0.14718324272984856,0.13122981205231488,0.11830284568271707,3.04,3.04,3.04,3.04,3.04,3.04,3.04,3.04,3.04,3.04,3.04,4.47,7.108942387130711,7.34012378025261,7.42623014530141,7.471135957398537,7.498937630368258,7.517598524807747,7.5312238956169635,7.541408378635075,7.549385093973842,7.555848577158641,second
+274,8.64,100,3.911023239472029e+17,3.78,1.3297240096314962,95.0,Unknown,Base,1,0.03371822008645293,0.02593113617826291,3.25,3.244612039288001,3.239475141976402,3.234577634099668,3.229908355849457,3.2254566544577807,3.2212123740590553,3.2171658744609744,3.213307956816175,3.2096298236841503,3.2061230790312485,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,3.96,3.965387960711999,3.970524858023598,3.975422365900332,3.980091644150543,3.9845433455422192,3.9887876259409447,3.9928341255390256,3.996692043183825,4.00037017631585,4.003876920968751,first
+270,3.57,93,3.2727973059456314e+17,1.35,0.30010459245033816,97.7,Linear,Enzyme,0,0.3329183510294358,0.22512339530184938,2.3,0.6492776814002366,0.402025494960172,0.2949251396389463,0.2342715767809256,0.194476510685183,0.1667654359917411,0.14592815346951482,0.1297914320889145,0.11704271678165873,0.10658532357560312,2.68,1.8546388407001184,1.7310127474800863,1.6774625698194734,1.647135788390463,1.627238255342592,1.6133827179958709,1.6029640767347577,1.5948957160444577,1.5885213583908298,1.583292661787802,0.92,1.7453611592998814,1.8689872525199136,1.9225374301805265,1.952864211609537,1.972761744657408,1.986617282004129,1.9970359232652422,2.0051042839555424,2.01147864160917,2.016707338212198,third
+280,11.62,96,1.0044112795431805e+17,1.49,0.3987761199573678,188.6,Unknown,None,1,0.12366458050366497,0.1045333856480121,6.38,1.4763107272612372,1.2849734258617818,1.2461759650244346,1.2374445824391096,1.2351713256139063,1.234457411214889,1.234625147983465,1.2341660172367082,1.2342120320283658,1.2350461763476936,4.91,4.91,4.91,4.91,4.91,4.91,4.91,4.91,4.91,4.91,4.91,0.51,2.1445630909129214,2.208342191379406,2.2212746783251887,2.2241851391869636,2.2249428914620313,2.2251808629283705,2.2251249506721784,2.225277994254431,2.225262655990545,2.2249846078841022,third
+276,3.77,92,5.9351184963315176e+16,0.61,-0.4942963218147801,75.8,Branched,Acid,0,0.22974912753721238,0.18748655336541772,9.13,8.281131832895172,8.109345440305308,8.071176086630853,8.062542669986309,8.06057848828346,8.060132078495263,8.060030048456529,8.060006902325053,8.060001778212552,8.060000415524883,1.07,0.22113183289517097,0.04934544030530675,0.011176086630852075,0.0025426699863079576,0.0005784882834579465,0.00013207849526137647,3.0048456527395803e-05,6.90232505161935e-06,1.778212549646443e-06,4.1552488161040585e-07,2.98,3.828868167104829,4.000654559694693,4.038823913369148,4.047457330013692,4.049421511716542,4.049867921504738,4.049969951543472,4.049993097674948,4.04999822178745,4.049999584475118,second
+272,13.76,93,4.409780165524158e+17,3.77,1.3270750014599193,27.8,Branched,Base,0,0.6083226093766985,0.41755902119392135,8.71,0.584903441685838,0.41432983917474103,0.33824579472111416,0.29306391784129027,0.26207862497026035,0.23942985254748994,0.22155292652693262,0.20721425240223856,0.19544117763758057,0.185451025901065,1.95,1.95,1.95,1.95,1.95,1.95,1.95,1.95,1.95,1.95,1.95,1.22,3.9283655194380533,3.9852233869417524,4.010584735092961,4.025645360719569,4.035973791676579,4.043523382484169,4.049482357824354,4.054261915865919,4.058186274120805,4.061516324699644,third
+271,12.45,90,4.656770526435645e+17,4.11,1.4134230285081433,107.7,Unknown,Acid,1,2.0900702540655773,1.8485009739415235,4.54,3.712327103010889,3.676888687544243,3.675554586990268,3.676157417242639,3.675119267155754,3.6730920392633255,3.6719121406305155,3.6731946971180602,3.6738634739916103,3.675345330936182,4.11,4.11,4.11,4.11,4.11,4.11,4.11,4.11,4.11,4.11,4.11,3.29,4.117672896989111,4.153111312455756,4.154445413009731,4.15384258275736,4.154880732844244,4.156907960736673,4.158087859369483,4.1568053028819385,4.156136526008389,4.1546546690638175,first
+276,3.77,90,3.4879601451044634e+17,2.74,1.007957920399979,106.7,Unknown,Base,0,3.2279109518855025,1.9667822454972885,4.52,0.09765963234900717,0.05110078877949223,0.03468451065858159,0.02627850862933218,0.021136736532005852,0.01770817152062188,0.015221378611204091,0.013346924207115113,0.011898976743528045,0.010727366053033158,4.04,1.8288298161745034,1.805550394389746,1.7973422553292906,1.7931392543146658,1.7905683682660027,1.7888540857603106,1.7876106893056016,1.7866734621035572,1.7859494883717637,1.7853636830265163,4.28,6.4911701838254965,6.514449605610253,6.522657744670709,6.526860745685333,6.529431631733996,6.531145914239688,6.532389310694397,6.533326537896441,6.534050511628235,6.534636316973482,third
+276,3.42,100,2.499041917363306e+17,3.64,1.2919836816486494,90.9,Unknown,Acid,1,0.029613913124631807,0.015590777798298544,4.17,3.7651009743538686,3.5364758180263225,3.39023384955042,3.29317575263301,3.2257013626887048,3.1785645092223334,3.1444808763966074,3.1195694632042534,3.101580125037369,3.0883779491928856,0.76,0.5575504871769343,0.44323790901316135,0.3701169247752101,0.3215878763165049,0.28785068134435243,0.2642822546111668,0.2472404381983039,0.2347847316021269,0.22579006251868458,0.21918897459644288,2.97,3.172449512823066,3.286762090986839,3.3598830752247903,3.4084121236834957,3.4421493186556478,3.4657177453888335,3.4827595618016964,3.4952152683978737,3.504209937481316,3.510811025403558,third
+275,13.12,92,8.005329283279171e+16,3.28,1.1878434223960523,83.9,Branched,Enzyme,0,0.26784693139404425,0.22719514778412433,9.92,9.705722454884766,9.49144490976953,9.277167364654295,9.062889819539059,8.848612274423823,8.634334729308588,8.420057184193352,8.205779639078116,7.991502093962881,7.777224548847645,1.81,1.81,1.81,1.81,1.81,1.81,1.81,1.81,1.81,1.81,1.81,3.0,3.2142775451152357,3.4285550902304713,3.6428326353457066,3.857110180460942,4.0713877255761775,4.285665270691413,4.499942815806649,4.7142203609218845,4.92849790603712,5.142775451152357,zero
+280,8.04,100,3.4405032375785434e+17,4.85,1.5789787049493917,150.8,Unknown,Base,0,0.07598355773549781,0.042148600851376436,7.4,3.89980061355611,2.6465550590081364,2.0048649240992775,1.6128825835011813,1.3494337271853687,1.1592145307356652,1.0174159864470491,0.9056312054626362,0.8158329178714837,0.7422514318055651,0.74,0.74,0.74,0.74,0.74,0.74,0.74,0.74,0.74,0.74,0.74,1.13,2.880099693221945,3.506722470495932,3.8275675379503613,4.02355870824941,4.1552831364073155,4.250392734632168,4.321292006776476,4.377184397268682,4.422083541064258,4.4588742840972175,second
+275,3.42,93,2.6481368931411008e+17,3.26,1.1817271953786161,111.1,Branched,None,0,0.5721328718892045,0.4979654630859427,3.58,2.264850885182133,1.4330950982713542,0.9061042132867256,0.5745182533892553,0.36317516712694314,0.23025064907249826,0.14553945139225738,0.09226313190682153,0.05835979789974732,0.03695678651833752,1.99,1.99,1.99,1.99,1.99,1.99,1.99,1.99,1.99,1.99,1.99,4.52,4.52,4.52,4.52,4.52,4.52,4.52,4.52,4.52,4.52,4.52,first
+276,13.5,99,1.2058112842899626e+17,4.82,1.572773928062509,26.4,Ring,Base,0,0.022093492736641678,0.014941987814556652,5.19,5.0990737362548915,5.009740456623272,4.9219722530006385,4.83574169606782,4.751021843335067,4.667786252036291,4.58600892454825,4.5056643061344825,4.426727284945305,4.34917319201781,1.89,1.89,1.89,1.89,1.89,1.89,1.89,1.89,1.89,1.89,1.89,2.98,2.98,2.98,2.98,2.98,2.98,2.98,2.98,2.98,2.98,2.98,first
+277,3.37,100,4.4310507664431424e+17,1.41,0.34358970439007686,166.0,Unknown,Base,1,0.061454670635271685,0.032889580374067105,3.1,2.5351294642445783,2.2074196085260094,1.997742828052115,1.8619655642634176,1.7687380065995917,1.7050405490820162,1.661449091693127,1.6300203124777786,1.6077957260155085,1.5920800336429892,4.3,4.3,4.3,4.3,4.3,4.3,4.3,4.3,4.3,4.3,4.3,3.73,4.012435267877711,4.176290195736995,4.281128585973943,4.349017217868291,4.395630996700205,4.427479725458992,4.449275454153438,4.464989843761111,4.476102136992246,4.483959983178506,second
+276,12.28,100,1.3010165269678582e+17,3.36,1.2119409739751128,51.6,Unknown,Base,1,0.015417184536058821,0.01063031861117455,1.62,1.6366684806805287,1.6529932173240065,1.6689812984113732,1.6846396681940536,1.69997513022678,1.7149943364287799,1.7297038055393175,1.7441099265926647,1.758218958918101,1.7720370321399135,0.85,0.85,0.85,0.85,0.85,0.85,0.85,0.85,0.85,0.85,0.85,4.33,4.313331519319472,4.297006782675994,4.281018701588627,4.2653603318059465,4.25002486977322,4.23500566357122,4.2202961944606825,4.2058900734073354,4.191781041081899,4.177962967860086,first
+277,10.9,99,2.2869236952080784e+17,0.51,-0.6733445532637656,151.8,Ring,Enzyme,1,0.04896427881792042,0.03289643832769935,1.56,1.444720304217956,1.3552771487839832,1.2846419912569291,1.2282370112778187,1.1834438149981064,1.1477641896471358,1.1187446697955623,1.0943798353457797,1.0743197537307374,1.057811641166101,3.88,3.88,3.88,3.88,3.88,3.88,3.88,3.88,3.88,3.88,3.88,1.13,1.187639847891022,1.2323614256080084,1.2676790043715356,1.2958814943610908,1.318278092500947,1.336117905176432,1.3506276651022189,1.36281008232711,1.3728401231346312,1.3810941794169496,second
+273,4.91,94,2.7324480439068026e+17,0.74,-0.3011050927839216,75.4,Unknown,Acid,1,0.28206462644719527,0.19983802496234587,5.86,5.424111097624226,5.423917824473222,5.424067397935174,5.42419749158543,5.423811176947409,5.4236566856743815,5.423915462058759,5.424101124772299,5.424088713683375,5.423932868733553,0.33,0.11205554881211269,0.1119589122366104,0.11203369896758648,0.11209874579271444,0.11190558847370449,0.11182834283719069,0.11195773102937932,0.11205056238614959,0.11204435684168726,0.1119664343667761,4.43,4.647944451187888,4.64804108776339,4.647966301032414,4.647901254207287,4.648094411526297,4.648171657162811,4.648042268970623,4.647949437613852,4.647955643158314,4.6480335656332255,third
+279,13.62,92,3.6091555371890976e+17,0.83,-0.18632957819149348,39.3,Unknown,Base,0,2.1500955924436513,1.8628394713960814,9.14,1.6375405189869758,0.2938722431890374,0.05276091088372765,0.009459776204171226,0.0016951211829820884,0.000304360023103777,5.459403127624853e-05,1.0036657592448749e-05,1.9513046065168157e-06,3.7520709243089256e-07,1.24,1.24,1.24,1.24,1.24,1.24,1.24,1.24,1.24,1.24,1.24,0.49,0.49,0.49,0.49,0.49,0.49,0.49,0.49,0.49,0.49,0.49,first
+272,12.53,93,4.909069037138694e+16,3.1,1.1314021114911006,62.2,Linear,Base,1,0.06771987659678741,0.05583459934867521,6.93,6.325471786133418,5.956251748126017,5.719947372930645,5.566038775584171,5.462287234361501,5.393014681189913,5.345664945947003,5.3130101921747155,5.291036733222917,5.275856061666421,2.44,1.8354717861334189,1.466251748126017,1.229947372930645,1.0760387755841705,0.9722872343615007,0.9030146811899136,0.8556649459470023,0.8230101921747149,0.801036733222917,0.7858560616664217,3.09,3.694528213866581,4.0637482518739825,4.300052627069355,4.453961224415829,4.557712765638499,4.626985318810086,4.674335054052997,4.706989807825284,4.7289632667770825,4.744143938333578,second
+270,2.76,99,3.9640460190728685e+17,1.29,0.25464221837358075,127.2,Ring,None,0,0.027844896755889796,0.01881088677841971,7.33,6.540286740626359,6.2833489297184855,6.183194591415103,6.1414815352833045,6.123646189691263,6.1159331763159654,6.112580891202448,6.111122933591045,6.1104890684158075,6.110213901154727,0.61,0.21514337031317987,0.08667446485924302,0.036597295707551394,0.01574076764165188,0.006823094845631026,0.002966588157982562,0.0012904456012237185,0.000561466795522102,0.0002445342079033599,0.00010695057736294457,3.85,4.24485662968682,4.373325535140757,4.423402704292449,4.444259232358348,4.453176905154369,4.457033411842017,4.4587095543987765,4.4594385332044775,4.459755465792097,4.459893049422637,third
+278,1.17,93,2.6639594446131155e+17,2.83,1.0402767116551463,126.5,Branched,None,0,0.8927263643494598,0.5662096062957389,5.5,0.4046091735262063,0.23283199861984727,0.16546107728170933,0.12895004631203819,0.10590086534678783,0.0899139402676861,0.07815531292760936,0.06923959763440182,0.06211556891706948,0.05632135896818115,3.88,1.332304586763103,1.2464159993099235,1.2127305386408544,1.1944750231560188,1.1829504326733937,1.1749569701338427,1.1690776564638043,1.1646197988172007,1.1610577844585346,1.1581606794840904,1.32,3.8676954132368966,3.9535840006900766,3.9872694613591455,4.005524976843981,4.017049567326606,4.025043029866157,4.030922343536195,4.035380201182799,4.038942215541465,4.041839320515909,third
+272,10.23,93,2.1990290615384004e+16,3.97,1.3787660946990992,23.7,Linear,None,0,0.030335278553533684,0.01518523245918774,7.71,7.5251441351992066,7.344720397777643,7.168622402542714,6.996746365472872,6.828991337367618,6.665258624111807,6.505451766455384,6.349476540013378,6.197240955265906,6.048655257558171,3.2,3.2,3.2,3.2,3.2,3.2,3.2,3.2,3.2,3.2,3.2,1.64,1.8248558648007935,2.005279602222357,2.181377597457286,2.353253634527128,2.521008662632382,2.6847413758881924,2.8445482335446157,3.000523459986622,3.1527590447340943,3.3013447424418283,first
+274,3.77,90,4.754861275426276e+17,4.57,1.5195132049061133,176.1,Linear,Base,0,3.3048722071639083,2.62435271356464,7.12,0.2514616886689649,0.17778333007917022,0.14519948732722043,0.12582222303949103,0.11248224552625896,0.10268414827130447,0.09513084752742593,0.08896095500427564,0.0838549733570995,0.07953775350681655,0.96,0.96,0.96,0.96,0.96,0.96,0.96,0.96,0.96,0.96,0.96,0.52,2.809512770443679,2.834072223306944,2.8449335042242607,2.8513925923201704,2.855839251491248,2.859105283909566,2.861623050824192,2.8636796816652423,2.8653816755476345,2.8668207488310617,third
+270,4.55,100,1.5879909212353e+17,4.8,1.5686159179138452,27.0,Unknown,Acid,0,0.007144738244806857,0.003957332404738226,8.48,8.426700660852546,8.376219593246528,8.32837982951577,8.283016712047722,8.239982020262904,8.199137477202395,8.160353305594404,8.12350822785426,8.088489466084422,8.055192742074475,1.13,1.0767006608525442,1.0262195932465263,0.9783798295157692,0.9330167120477203,0.8899820202629025,0.8491374772023949,0.8103533055944029,0.7735082278542588,0.738489466084421,0.7051927420744744,2.88,2.9332993391474558,2.983780406753474,3.031620170484231,3.07698328795228,3.1200179797370975,3.160862522797605,3.1996466944055975,3.2364917721457416,3.271510533915579,3.3048072579255257,second
+273,8.53,96,9.130372694605456e+16,1.18,0.16551443847757333,138.6,Ring,Base,0,0.03904811208528035,0.0297483262211618,5.2,5.168761510331776,5.137523020663552,5.106284530995327,5.075046041327102,5.043807551658878,5.0125690619906536,4.981330572322429,4.950092082654205,4.918853592985981,4.887615103317756,4.65,4.65,4.65,4.65,4.65,4.65,4.65,4.65,4.65,4.65,4.65,3.61,3.641238489668224,3.6724769793364485,3.7037154690046727,3.7349539586728966,3.766192448341121,3.797430938009345,3.8286694276775695,3.8599079173457937,3.891146407014018,3.9223848966822423,zero
+272,3.21,92,2.976508024767562e+17,3.97,1.3787660946990992,187.2,Ring,Base,0,0.6389547891699406,0.3755676022353108,1.6,0.9596012453805137,0.5753280081075434,0.34537004903622587,0.2070893820566762,0.12439772467019547,0.07456322735434241,0.0448073967936142,0.026850675845775045,0.016138027370652126,0.00967967290009248,4.08,4.08,4.08,4.08,4.08,4.08,4.08,4.08,4.08,4.08,4.08,0.95,1.5903987546194864,1.9746719918924567,2.204629950963774,2.342910617943324,2.4256022753298048,2.475436772645658,2.5051926032063863,2.5231493241542253,2.5338619726293485,2.5403203270999084,first
+272,5.8,94,2.5444849823501556e+16,1.64,0.494696241836107,109.6,Linear,None,1,0.022556455536970183,0.01161992283245325,7.99,6.254792684844378,5.171352779030734,4.432784345438177,3.906913907880133,3.5095373917062065,3.2055625452997782,2.968741755493598,2.7777833409036914,2.622324789530622,2.494925112291802,0.38,0.38,0.38,0.38,0.38,0.38,0.38,0.38,0.38,0.38,0.38,3.12,3.9876036575778113,4.529323610484633,4.8986078272809115,5.161543046059934,5.360231304146897,5.5122187273501115,5.630629122253201,5.726108329548154,5.803837605234689,5.8675374438541,second
+280,8.75,95,4.161143609037237e+17,4.79,1.5665304114228238,187.4,Branched,Base,0,0.7872369593976709,0.5348351400283088,5.4,0.28281065404210065,0.15333557919614865,0.10571197534223647,0.0807581067244231,0.06539421175760168,0.054978214571257025,0.04745751693560823,0.041706693812079754,0.03723250437954306,0.033631796851731524,4.98,2.4214053270210507,2.3566677895980748,2.3328559876711186,2.320379053362212,2.3126971058788013,2.307489107285629,2.303728758467805,2.3008533469060404,2.298616252189772,2.2968158984258666,1.97,4.52859467297895,4.593332210401926,4.617144012328882,4.629620946637789,4.637302894121199,4.6425108927143715,4.6462712415321965,4.64914665309396,4.651383747810229,4.653184101574134,third
+279,9.81,100,2.866224209904135e+17,3.54,1.264126727145683,49.5,Branched,Acid,1,0.05426762059958298,0.04598357223436538,8.8,5.221433662637318,3.89484990299838,3.2568760124167118,2.9079791008080575,2.7080309933520166,2.585350278459263,2.511307116413691,2.464926858745357,2.4352541153100367,2.416748283063657,4.24,4.24,4.24,4.24,4.24,4.24,4.24,4.24,4.24,4.24,4.24,3.5,5.289283168681341,5.952575048500811,6.271561993791645,6.446010449595972,6.545984503323993,6.607324860770369,6.6443464417931555,6.667536570627322,6.6823729423449825,6.691625858468172,second
+270,4.56,94,4.710577096015062e+17,2.18,0.7793248768009977,33.5,Unknown,Enzyme,0,0.3069192477261146,0.25873580501383064,3.49,2.730152074892236,2.135778690671038,1.6695532580633021,1.3053604249633857,1.0222381438600723,0.8009466741663609,0.6262667013698511,0.48969625089012264,0.3833867486486119,0.3002496550300843,0.95,0.95,0.95,0.95,0.95,0.95,0.95,0.95,0.95,0.95,0.95,2.13,2.13,2.13,2.13,2.13,2.13,2.13,2.13,2.13,2.13,2.13,first
+275,3.54,98,8.828624003753613e+16,4.28,1.4539530095937054,114.6,Branched,Enzyme,1,0.021413835485955532,0.011367048036570009,3.21,2.7509391076272216,2.456377647524698,2.24727928609598,2.093343835317607,1.973911944597171,1.8785231040254937,1.801927327334652,1.7394534200779184,1.6871668192144154,1.6429299662837218,1.77,1.5404695538136108,1.393188823762349,1.28863964304799,1.2116719176588036,1.1519559722985855,1.104261552012747,1.0659636636673262,1.0347267100389592,1.0085834096072077,0.986464983141861,2.0,2.229530446186389,2.3768111762376507,2.4813603569520097,2.5583280823411965,2.6180440277014148,2.6657384479872532,2.704036336332674,2.735273289961041,2.7614165903927925,2.7835350168581394,third
+279,9.87,97,3.0091271095301944e+16,4.46,1.4951487660319727,123.3,Ring,Enzyme,0,0.020766066228580314,0.01600102210754328,4.2,4.068606836276516,3.9495244572111226,3.8411466904472,3.742124552997925,3.651433054689016,3.5681558980122694,3.4914684278703456,3.4206376315767675,3.3550221388559223,3.294072221843059,1.98,1.848606836276516,1.7295244572111221,1.6211466904471994,1.5221245529979242,1.431433054689015,1.3481558980122688,1.271468427870345,1.200637631576767,1.1350221388559214,1.0740722218430583,4.18,4.3113931637234835,4.430475542788877,4.5388533095528,4.6378754470020755,4.728566945310984,4.811844101987731,4.888531572129654,4.959362368423232,5.024977861144078,5.0859277781569405,second
+274,12.2,93,3.038062457909161e+17,3.68,1.3029127521808397,113.4,Ring,None,1,0.5658231933906214,0.3999978248709178,1.62,1.0822280352438005,1.0799097544927443,1.0790927112191364,1.0803234321503903,1.0793403467027278,1.0804876729389203,1.0789207246986672,1.0807872392256261,1.0790532998852838,1.0802733069541122,1.57,1.57,1.57,1.57,1.57,1.57,1.57,1.57,1.57,1.57,1.57,1.6,1.7792573215854002,1.7800300818357522,1.7803024295936216,1.7798921892832034,1.7802198844324242,1.7798374423536936,1.7803597584337778,1.7797375869247913,1.7803155667049053,1.7799088976819626,third
+271,2.1,94,3.3244425003425504e+17,1.91,0.6471032420585384,168.1,Unknown,Acid,0,0.25279939500888027,0.2012210042246561,1.81,0.6632844287371372,0.4235434819467744,0.31422108316071856,0.25107783242204285,0.20915840115698675,0.17976119598269902,0.15756878170335256,0.1402988886613147,0.12661988166706922,0.11540312263327213,2.76,2.1866422143685686,2.066771740973387,2.012110541580359,1.980538916211021,1.959579200578493,1.9448805979913493,1.9337843908516759,1.925149444330657,1.9183099408335342,1.9127015613166358,2.03,2.603357785631431,2.723228259026613,2.777889458419641,2.8094610837889786,2.8304207994215065,2.8451194020086503,2.856215609148324,2.8648505556693427,2.8716900591664656,2.877298438683364,third
+277,11.49,99,3.559070618883088e+17,1.24,0.2151113796169455,162.5,Ring,None,0,0.0762016356211676,0.05506372259094263,9.79,3.7496240479551344,3.092028922723216,2.82101875801006,2.6774805576373155,2.5924861505803825,2.538824579368136,2.503994967343544,2.4806812108740086,2.46493094567688,2.4541933063846857,3.68,0.659812023977568,0.3310144613616091,0.19550937900503088,0.12374027881865861,0.08124307529019212,0.054412289684068915,0.03699748367177289,0.025340605437005347,0.017465472838441007,0.012096653192343803,1.55,4.5701879760224315,4.8989855386383905,5.034490620994969,5.106259721181341,5.148756924709808,5.175587710315932,5.193002516328227,5.204659394562995,5.2125345271615595,5.217903346807657,third
+274,2.22,98,1.9691511342223008e+17,2.58,0.9477893989335261,129.5,Ring,Base,1,0.040845273604719276,0.033448941696272036,2.58,2.41701259975461,2.3016656930709942,2.2182401468013304,2.1571322409665594,2.1132994550973985,2.08163890649355,2.0572174401032655,2.0387780818114236,2.0251346028540445,2.0149606776295936,3.0,3.0,3.0,3.0,3.0,3.0,3.0,3.0,3.0,3.0,3.0,4.51,4.591493700122695,4.649167153464503,4.690879926599335,4.72143387951672,4.7433502724513,4.759180546753225,4.771391279948367,4.780610959094288,4.787432698572977,4.792519661185203,second
+279,9.55,96,2.0828178063918346e+17,4.93,1.5953389880545987,46.9,Unknown,Acid,1,0.2212038477846391,0.1439582575901135,3.05,1.8551346757131835,1.591848122891057,1.5168656039040522,1.4939505682948495,1.4872956637816925,1.48476234921497,1.4842789145721564,1.4837188448149135,1.4841923948220297,1.4839551828144848,0.69,0.69,0.69,0.69,0.69,0.69,0.69,0.69,0.69,0.69,0.69,2.6,3.197432662143408,3.3290759385544715,3.3665671980479734,3.378024715852575,3.3813521681091534,3.3826188253925147,3.3828605427139213,3.3831405775925427,3.382903802588985,3.3830224085927574,second
+275,6.51,90,4.5417414518209536e+17,2.86,1.0508216248317612,177.6,Ring,Base,0,3.644449138396106,3.0975086424402893,8.02,0.43537186184433563,0.023657734552152497,0.0012857063764664333,6.968122730670465e-05,3.699358294209586e-06,4.076875001734591e-07,2.4388385615495737e-07,-4.597537929841915e-07,-4.416219456162991e-07,3.2527716231938694e-07,0.2,0.2,0.2,0.2,0.2,0.2,0.2,0.2,0.2,0.2,0.2,2.12,9.704628138155664,10.116342265447848,10.138714293623535,10.139930318772695,10.139996300641707,10.139999592312503,10.139999756116147,10.140000459753795,10.140000441621947,10.139999674722839,first
+280,12.55,100,9.903410549571184e+16,2.24,0.8064758658669485,22.2,Unknown,None,1,0.021871694787338546,0.016850118951147946,7.67,6.121034829872851,5.133759352564601,4.453858609653884,3.968356470911731,3.601594478898044,3.3208809084930087,3.103575451968778,2.930293499109496,2.7899457296516865,2.6760904330445454,1.25,1.25,1.25,1.25,1.25,1.25,1.25,1.25,1.25,1.25,1.25,2.99,3.7644825850635746,4.2581203237177,4.598070695173058,4.840821764544135,5.0242027605509785,5.164559545753495,5.273212274015611,5.359853250445252,5.430027135174157,5.486954783477728,second
+278,3.14,91,7.667721405794598e+16,2.56,0.9400072584914712,102.2,Branched,Enzyme,1,0.6104631119998388,0.5348419917850515,2.6,1.2967491693118531,1.2449469152673636,1.241652573087638,1.2413664519042846,1.2423627703512448,1.2415853989886072,1.2406082559058063,1.2405205848681744,1.2417524092474257,1.2426774994451468,3.89,3.89,3.89,3.89,3.89,3.89,3.89,3.89,3.89,3.89,3.89,1.08,1.7316254153440733,1.7575265423663182,1.7591737134561807,1.7593167740478572,1.7588186148243772,1.7592073005056958,1.7596958720470965,1.7597397075659122,1.7591237953762868,1.7586612502774261,second
+276,3.67,94,3.2451798674634214e+17,4.49,1.501852701754163,124.4,Unknown,Base,0,0.5254576205117562,0.4612831771552026,9.56,6.2789532933367855,4.12235779907825,2.708116562004244,1.779936103247515,1.1685138696293946,0.768737781433841,0.5044153339305167,0.33188426219091777,0.21799622317838457,0.1432321112382247,1.1,1.1,1.1,1.1,1.1,1.1,1.1,1.1,1.1,1.1,1.1,3.73,7.011046706663215,9.167642200921751,10.581883437995756,11.510063896752486,12.121486130370606,12.52126221856616,12.785584666069484,12.958115737809084,13.072003776821617,13.146767888761776,first
+277,13.09,98,3.938255434827596e+17,1.98,0.6830968447064438,127.8,Ring,Acid,0,0.13017005467947115,0.07189768595987817,7.25,5.473864057917078,4.674654264109466,4.243633696701056,3.989346467498195,3.8291077785410934,3.7258077547334123,3.656865780350862,3.610785157553848,3.5793320566950824,3.5578247961825205,3.74,1.9638640579170783,1.1646542641094664,0.7336336967010565,0.4793464674981956,0.3191077785410942,0.2158077547334127,0.14686578035086234,0.10078515755384848,0.06933205669508267,0.047824796182520925,4.51,6.286135942082922,7.085345735890534,7.516366303298944,7.770653532501805,7.930892221458906,8.034192245266588,8.103134219649139,8.149214842446153,8.180667943304918,8.20217520381748,second
+276,8.42,92,7.888468057075648e+16,3.04,1.1118575154181303,100.5,Ring,None,1,0.30536351630359526,0.27259066412399635,7.26,6.480387677175528,5.9900973781759115,5.679610175012731,5.486921844432075,5.363773401850192,5.286199824200761,5.2388033278377675,5.207642553963826,5.188198161852463,5.176231020859037,4.35,4.35,4.35,4.35,4.35,4.35,4.35,4.35,4.35,4.35,4.35,3.67,4.449612322824471,4.939902621824088,5.250389824987269,5.443078155567925,5.566226598149807,5.643800175799239,5.691196672162232,5.722357446036174,5.741801838147537,5.753768979140963,first
+280,4.41,96,5.192926461526845e+16,2.45,0.8960880245566357,50.3,Linear,Acid,1,0.06393606737900942,0.050211382978221204,1.17,1.2439055601137352,1.2989664785382138,1.3397048382954675,1.3699470691106572,1.3915465708432175,1.4065204950801817,1.4172623947735485,1.4254002073481586,1.4312199157657868,1.435376038383067,0.89,0.89,0.89,0.89,0.89,0.89,0.89,0.89,0.89,0.89,0.89,2.8,2.7630472199431324,2.735516760730893,2.7151475808522663,2.7000264654446715,2.6892267145783912,2.681739752459909,2.6763688026132257,2.6722998963259204,2.669390042117106,2.667311980808466,second
+279,5.03,95,2.368561314554499e+17,1.17,0.1570037488096647,66.9,Unknown,Base,0,0.38712723062615423,0.31727526753842816,7.72,0.8221397886248123,0.5068662575726007,0.3747024050795213,0.29979767154490683,0.251354863491796,0.216682797329416,0.19085181570644494,0.1708736955832606,0.15466116723925985,0.1413397181147393,4.77,1.3210698943124057,1.1634331287863,1.0973512025397603,1.059898835772453,1.0356774317458977,1.0183413986647076,1.005425907853222,0.9954368477916298,0.9873305836196294,0.9806698590573691,4.47,7.9189301056875925,8.076566871213698,8.142648797460238,8.180101164227544,8.204322568254101,8.221658601335289,8.234574092146776,8.244563152208368,8.252669416380368,8.259330140942627,third
+278,3.45,96,2.8785352932049786e+17,2.37,0.8628899551470398,49.5,Unknown,Base,0,0.26342609030452063,0.14315084876135276,4.15,0.8719018742860527,0.6230053185391032,0.510837771111968,0.44292362188993967,0.3968956448330489,0.36232567133569965,0.33568023238395056,0.3143159961051469,0.29637535198032616,0.2811721797135899,4.15,4.15,4.15,4.15,4.15,4.15,4.15,4.15,4.15,4.15,4.15,4.31,5.402699375237981,5.485664893820298,5.52305407629601,5.545692126036686,5.561034785055649,5.572558109554765,5.581439922538682,5.588561334631616,5.5945415493398905,5.599609273428802,third
+273,12.93,99,1.415555554968418e+17,4.51,1.506297153514587,173.0,Linear,Acid,0,0.016143982929969776,0.013630218184668927,4.88,4.8670848136560245,4.854169627312048,4.841254440968073,4.828339254624097,4.815424068280121,4.802508881936145,4.78959369559217,4.776678509248193,4.763763322904218,4.750848136560242,0.59,0.59,0.59,0.59,0.59,0.59,0.59,0.59,0.59,0.59,0.59,2.91,2.922915186343976,2.9358303726879518,2.9487455590319276,2.9616607453759034,2.974575931719879,2.987491118063855,3.000406304407831,3.0133214907518067,3.026236677095783,3.0391518634397587,zero
+274,1.13,95,1.3981288054200037e+17,2.51,0.9202827531436925,116.8,Branched,Acid,0,0.10822876825370294,0.06535662318532676,5.66,4.737466964050881,4.637782678305095,4.6227883594985,4.62043991184046,4.620069792281201,4.620011422750458,4.620002181060374,4.620000362446405,4.619999919542829,4.620000296980393,0.52,0.05873348202544121,0.008891339152547712,0.0013941797492501066,0.0002199559202305609,3.489614060034663e-05,5.711375229068949e-06,1.0905301873409955e-06,1.8122320272214117e-07,-4.022858530594818e-08,1.4849019647197883e-07,3.17,3.6312665179745593,3.6811086608474524,3.68860582025075,3.68978004407977,3.6899651038593997,3.689994288624771,3.689998909469813,3.6899998187767973,3.6900000402285853,3.6899998515098034,third
+280,11.67,90,2.813228162324027e+17,4.71,1.5496879080283263,83.7,Unknown,None,0,4.559244097714685,3.4391327516850345,7.65,0.19985587678397032,0.005233333127254989,0.00013676331983239983,3.6271243612662243e-06,2.345520670785131e-07,4.067547630962594e-07,9.5276475574951e-07,1.0253538824531749e-06,6.223516639480812e-07,6.82184074290137e-07,2.57,2.57,2.57,2.57,2.57,2.57,2.57,2.57,2.57,2.57,2.57,4.09,4.09,4.09,4.09,4.09,4.09,4.09,4.09,4.09,4.09,4.09,first
+279,7.31,92,2.0381985033435258e+17,2.64,0.9707789171582248,150.0,Linear,None,0,1.2142235416036478,0.7247830650504924,4.86,1.8405957350028426,0.69773135245773,0.2643924918585384,0.1001889023506709,0.03796548766160807,0.014386565952910851,0.005451570547536899,0.0020657354401735846,0.0007826876168548122,0.00029682574524722945,3.53,3.53,3.53,3.53,3.53,3.53,3.53,3.53,3.53,3.53,3.53,4.35,4.35,4.35,4.35,4.35,4.35,4.35,4.35,4.35,4.35,4.35,first
+273,13.98,99,7.968816511515178e+16,3.92,1.366091653802371,57.5,Branched,Base,1,0.009088194192197039,0.006780202346434715,1.12,1.1103058625154805,1.1010763057777806,1.0922839216274636,1.0839033142684693,1.0759109188461982,1.0682851671174336,1.0610058585000612,1.0540540574314312,1.047412093368357,1.0410635607871161,1.08,1.0751529312577401,1.0705381528888904,1.066141960813732,1.0619516571342347,1.0579554594230989,1.0541425835587166,1.0505029292500305,1.0470270287157155,1.0437060466841785,1.0405317803935579,0.9,0.9048470687422598,0.9094618471111098,0.9138580391862683,0.9180483428657654,0.922044540576901,0.9258574164412833,0.9294970707499695,0.9329729712842845,0.9362939533158215,0.939468219606442,third
+279,1.75,92,2.884225547312918e+17,0.9,-0.10536051565782628,67.8,Linear,Enzyme,1,1.7182303652451234,1.1450662993282648,8.53,3.0288594310131867,3.027249734334188,3.0284781256338174,3.027888227617393,3.0276732505149684,3.0285710138196773,3.0273288883901026,3.0288692735084792,3.027257149462654,3.028119290817046,3.22,0.46942971550659446,0.468624867167095,0.4692390628169097,0.46894411380869744,0.46883662525748543,0.46928550690983994,0.46866444419505254,0.469434636754241,0.46862857473132813,0.46905964540852385,3.7,6.4505702844934065,6.451375132832905,6.450760937183091,6.451055886191303,6.4511633747425146,6.450714493090159,6.451335555804947,6.450565363245758,6.45137142526867,6.450940354591474,third
+277,3.88,90,1.9101189337809818e+17,0.8,-0.2231435513142097,197.7,Branched,Base,0,2.036590727826809,1.056674826088302,8.53,5.9801063045185465,5.980000308135213,5.9800001436637436,5.979999698928212,5.979998757955516,5.97999956655319,5.979999780972598,5.980000085752675,5.9799990981921,5.980000232404898,2.55,0.00010630451854631566,3.081352135137916e-07,1.4366374405194713e-07,-3.0107178828981964e-07,-1.2420444832023636e-06,-4.334468094690587e-07,-2.1902740097873346e-07,8.575267623243214e-08,-9.018078992943189e-07,2.3240489877128445e-07,2.87,5.419893695481454,5.4199996918647875,5.419999856336257,5.420000301071789,5.420001242044484,5.42000043344681,5.420000219027402,5.419999914247326,5.4200009018079,5.419999767595102,second
+272,7.71,99,3.7614260493770157e+17,4.85,1.5789787049493917,25.8,Branched,Enzyme,1,0.03654207669960058,0.023279403868160378,1.74,1.8569785606360862,1.9584306654092136,2.044418145363953,2.1156742236117805,2.173449501580513,2.2195130604122983,2.2559514789649753,2.2843998251030078,2.306321825031821,2.323128492293706,0.05,0.10848928031804309,0.15921533270460683,0.20220907268197658,0.23783711180589023,0.26672475079025637,0.28975653020614933,0.30797573948248774,0.3221999125515039,0.3331609125159105,0.3415642461468531,3.58,3.521510719681957,3.4707846672953933,3.4277909273180236,3.39216288819411,3.3632752492097437,3.340243469793851,3.3220242605175123,3.3078000874484963,3.2968390874840896,3.2884357538531472,third
+271,10.59,98,5.270842474890186e+16,4.17,1.4279160358107101,69.5,Linear,Acid,1,0.006790760270708093,0.003971583113120027,6.48,6.447731805156467,6.4157402428408234,6.384022941484107,6.352577549439873,6.321401736058217,6.290493190666751,6.2598496220148165,6.229468758273475,6.199348347035517,6.169486155315459,2.11,2.11,2.11,2.11,2.11,2.11,2.11,2.11,2.11,2.11,2.11,0.88,0.9122681948435334,0.9442597571591769,0.9759770585158929,1.0074224505601272,1.0385982639417837,1.069506809333249,1.1001503779851842,1.1305312417265256,1.1606516529644832,1.1905138446845414,first
+274,4.43,98,4.4353051901312845e+17,3.25,1.1786549963416462,80.2,Linear,Acid,1,0.09199966973733167,0.0542896022786561,6.07,5.883630640619096,5.774248432508017,5.7082215835164805,5.6687051443952985,5.644192626383691,5.6294680898167275,5.620320111167288,5.614632277654584,5.611326867680468,5.609199089693424,0.87,0.6836306406190952,0.5742484325080167,0.5082215835164801,0.46870514439529803,0.44419262638368984,0.4294680898167268,0.42032011116728735,0.4146322776545831,0.4113268676804671,0.4091990896934234,3.39,3.576369359380905,3.6857515674919834,3.75177841648352,3.7912948556047024,3.8158073736163103,3.8305319101832733,3.8396798888327126,3.8453677223454172,3.848673132319533,3.8508009103065772,second
+272,11.7,94,3.164635907773062e+17,1.32,0.27763173659827955,71.1,Ring,None,1,0.2805399506757988,0.21082302698106067,1.63,0.7837464196671418,0.7475582098559077,0.7448630148362861,0.7446943586595466,0.7449360469806032,0.7441900570529664,0.7440855086371642,0.7459769642581808,0.7453414326711342,0.7448804765209491,3.97,3.546873209833571,3.528779104927954,3.527431507418143,3.5273471793297735,3.5274680234903015,3.5270950285264835,3.5270427543185825,3.5279884821290906,3.5276707163355674,3.527440238260475,2.16,2.583126790166429,2.6012208950720463,2.6025684925818573,2.602652820670227,2.602531976509699,2.602904971473517,2.602957245681418,2.60201151787091,2.602329283664433,2.6025597617395255,third
+273,9.84,99,4.5530276470657965e+17,2.37,0.8628899551470398,162.0,Linear,Enzyme,1,0.051925903123986254,0.0343439466261354,8.7,2.121756517272244,1.717062275950401,1.5937313882965505,1.5481748903844121,1.5292198731407998,1.522185593165115,1.518668276774794,1.5179025507753279,1.5171457394767296,1.5168687059094632,2.7,2.7,2.7,2.7,2.7,2.7,2.7,2.7,2.7,2.7,2.7,2.88,5.072747827575919,5.207645908016533,5.2487562039011495,5.263941703205195,5.2702600422864,5.272604802278295,5.273777241075068,5.27403248307489,5.274284753507756,5.274377098030178,third
+277,2.1,98,2.461251377518368e+17,1.8,0.5877866649021191,121.7,Unknown,Acid,1,0.0813510529454814,0.04578132688922463,1.32,1.4125601991486199,1.474325628343083,1.5152073553136223,1.5420710847349566,1.5585635601907648,1.5691397920435557,1.5765015930259991,1.5809945434688752,1.5835396794209504,1.5853762281425265,1.07,1.07,1.07,1.07,1.07,1.07,1.07,1.07,1.07,1.07,1.07,4.62,4.57371990042569,4.542837185828459,4.522396322343188,4.508964457632522,4.500718219904617,4.495430103978221,4.491749203487,4.489502728265562,4.4882301602895245,4.487311885928737,second
+271,2.63,94,3.2731525638148704e+17,4.84,1.5769147207285403,123.0,Branched,Base,1,0.24889917266395917,0.1965250507535747,5.0,1.975958624004268,1.564883514727814,1.4669098789990087,1.4412244801891572,1.4340890463007967,1.4318388942247489,1.431741679908353,1.4310438164756785,1.4313940067910493,1.431506857744899,3.68,3.68,3.68,3.68,3.68,3.68,3.68,3.68,3.68,3.68,3.68,0.81,2.322020687997866,2.5275582426360934,2.576545060500496,2.589387759905422,2.592955476849602,2.5940805528876263,2.594129160045824,2.594478091762161,2.5943029966044757,2.5942465711275506,second
+270,7.51,93,3.619568888192402e+17,2.76,1.0152306797290584,126.0,Branched,None,1,0.36819295332018365,0.2945488747107466,2.12,1.7979610176899725,1.6086095966121172,1.4970373827187817,1.4317432820147118,1.392863348633362,1.3705378353952034,1.356821656250092,1.3490286991142941,1.3446381124094935,1.3418094349633256,2.45,2.45,2.45,2.45,2.45,2.45,2.45,2.45,2.45,2.45,2.45,0.89,1.2120389823100277,1.401390403387883,1.5129626172812185,1.5782567179852884,1.6171366513666383,1.6394621646047969,1.6531783437499081,1.660971300885706,1.6653618875905067,1.6681905650366746,first
+279,9.85,92,4.507386133508818e+17,3.44,1.235471471385307,190.4,Branched,Base,1,2.685201831630338,2.281410991992017,8.86,5.201121700342821,5.131882438193766,5.130908900319277,5.130088581957917,5.134151370284981,5.1303683234886535,5.128306376289032,5.1253771762030755,5.127692280996891,5.13271032355921,2.88,2.88,2.88,2.88,2.88,2.88,2.88,2.88,2.88,2.88,2.88,2.31,5.968878299657179,6.038117561806234,6.039091099680723,6.039911418042083,6.035848629715019,6.0396316765113465,6.041693623710968,6.044622823796924,6.042307719003109,6.03728967644079,first
+277,5.9,93,4.9280321913727226e+17,2.19,0.7839015438284094,52.7,Linear,None,1,1.428164829877273,1.2158304756314546,1.62,2.368567493489191,2.373874971405089,2.3726662734141803,2.3741594465889375,2.3729686169460393,2.3749327209377693,2.3733904948331035,2.3735097168849015,2.3734543186708854,2.3735232395107717,0.5,1.2485674934891904,1.2538749714050885,1.2526662734141794,1.2541594465889367,1.2529686169460386,1.2549327209377685,1.2533904948331025,1.2535097168849005,1.2534543186708844,1.2535232395107707,4.25,3.5014325065108096,3.4961250285949115,3.49733372658582,3.495840553411063,3.497031383053961,3.4950672790622312,3.496609505166897,3.496490283115099,3.496545681329115,3.496476760489229,second
+276,2.32,97,1.332148570941517e+17,1.83,0.6043159668533296,78.9,Linear,None,0,0.058353008622600296,0.030958076771116214,4.16,1.7240020923943475,1.2752410368379827,1.0572515184945188,0.9231836170229522,0.8296089911601285,0.7603681635680408,0.7052882468362697,0.6607843493873775,0.6240041476431881,0.592701098082363,4.78,4.78,4.78,4.78,4.78,4.78,4.78,4.78,4.78,4.78,4.78,3.21,4.021999302535217,4.171586321054006,4.24424949383516,4.288938794325682,4.320130336279957,4.343210612143986,4.36157058438791,4.376405216870873,4.388665284118937,4.399099633972545,third
+270,8.53,99,1.923937323539018e+17,4.17,1.4279160358107101,100.0,Branched,Acid,1,0.01351443345536048,0.009942457939966303,6.72,6.678282287530847,6.637340129940677,6.597159109659908,6.557725073410181,6.519024128440147,6.481042658970753,6.443767294283287,6.407184904574071,6.371282600954468,6.336047735450878,0.67,0.67,0.67,0.67,0.67,0.67,0.67,0.67,0.67,0.67,0.67,3.84,3.881717712469152,3.9226598700593227,3.962840890340092,4.00227492658982,4.040975871559853,4.078957341029247,4.116232705716714,4.152815095425929,4.188717399045531,4.223952264549123,first
+278,7.0,90,3.6427331417771194e+17,2.14,0.7608058290337602,56.1,Unknown,Acid,1,4.47014522776842,3.5892542480319984,6.57,1.6381809362111672,1.6380863551736842,1.6399092187598903,1.6408738343713574,1.6390307158620239,1.6378502070746856,1.6388634132017788,1.6408477958701928,1.6400652763464851,1.6393508364083949,3.96,3.96,3.96,3.96,3.96,3.96,3.96,3.96,3.96,3.96,3.96,3.84,5.48393968792961,5.4839712149421045,5.483363593746705,5.483042055209548,5.483656428045992,5.484049930975104,5.483712195599404,5.483050734709933,5.48331157455117,5.483549721197199,third
+272,6.19,91,2.3309671972910035e+17,0.79,-0.23572233352106983,178.7,Branched,Enzyme,0,0.7786553777645475,0.6163056971996221,8.55,4.585465513634732,2.4584393900582944,1.3205438571369,0.7081555413537258,0.3799784550164844,0.204197280007077,0.10945149411170689,0.05876741521672421,0.03156883787021257,0.016936215834119965,4.17,4.17,4.17,4.17,4.17,4.17,4.17,4.17,4.17,4.17,4.17,4.34,8.304534486365268,10.431560609941705,11.5694561428631,12.181844458646275,12.510021544983514,12.685802719992921,12.78054850588829,12.831232584783274,12.858431162129786,12.873063784165879,first
+272,5.12,100,2.358636014404845e+17,3.03,1.1085626195212777,120.9,Branched,Base,0,0.01472500900125538,0.010320091319320459,1.35,1.2779870099841226,1.214444501186148,1.1578492432957803,1.1069963534409244,1.0610920678633515,1.019461426662063,0.981504624972235,0.9466970129652197,0.9145890958485439,0.8848065338659099,1.79,1.7539935049920612,1.722222250593074,1.6939246216478903,1.6684981767204623,1.6455460339316759,1.6247307133310314,1.6057523124861175,1.58834850648261,1.572294547924272,1.557403266932955,3.49,3.526006495007939,3.557777749406926,3.58607537835211,3.611501823279538,3.6344539660683246,3.6552692866689687,3.6742476875138825,3.6916514935173903,3.707705452075728,3.7225967330670455,third
+270,9.87,98,8.097322110622602e+16,4.16,1.425515074273172,152.1,Ring,Acid,0,0.008880081609847948,0.0068955574277981,3.55,3.379539128179283,3.2246999404891215,3.083408574800343,2.9539152277538094,2.834889908117154,2.725158435136122,2.623669209178193,2.5294932117325772,2.4418240054102176,2.359977733943789,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.0,2.085230435910358,2.162650029755439,2.2332957125998285,2.298042386123095,2.3575550459414227,2.4124207824319384,2.463165395410903,2.510253394133711,2.554087997294891,2.5950111330281054,second
+270,11.78,100,3.677485683199993e+17,1.94,0.6626879730752367,155.5,Branched,Enzyme,1,0.01654585819990052,0.009879804267190354,3.86,2.701875977207927,2.2437737621446088,1.998130074724437,1.8496995056160912,1.750128128869,1.6830035815031403,1.6348093824583934,1.5996662102808836,1.5744101077305346,1.5557995107172418,2.36,2.36,2.36,2.36,2.36,2.36,2.36,2.36,2.36,2.36,2.36,4.85,5.23604134093069,5.38874207928513,5.470623308425187,5.520100164794636,5.553290623710334,5.575665472832286,5.5917302058472025,5.6034445965730395,5.611863297423156,5.618066829760919,third
+274,1.28,90,3.917682617661398e+17,1.77,0.5709795465857378,23.8,Ring,Acid,0,2.7229901462135837,1.364052788468251,9.71,9.190000526564173,9.190001109521706,9.190001164323945,9.190000973084578,9.190000664762108,9.190000378644138,9.190000143155,9.1899999662474,9.189999838845429,9.190000626395188,0.52,5.265641690250606e-07,1.1095217004096045e-06,1.1643239411155388e-06,9.730845708349451e-07,6.647621019067486e-07,3.7864413497082233e-07,1.4315499484872846e-07,-3.375260522085486e-08,-1.6115457801344243e-07,6.263951785408004e-07,3.97,4.489999473435833,4.489998890478302,4.489998835676062,4.489999026915432,4.489999335237901,4.489999621355867,4.489999856845008,4.490000033752608,4.49000016115458,4.489999373604824,second
+271,6.28,97,2.6054836076807763e+17,2.42,0.883767540168595,96.1,Ring,Base,1,0.052321648381563675,0.03670579427331299,1.28,1.2167855810288424,1.1682225604620031,1.1301528863588632,1.099868631969944,1.0759444017676194,1.0570336696392901,1.0417883773585708,1.0289941807169998,1.0184506873587222,1.0098103672567007,0.87,0.8383927905144212,0.8141112802310015,0.7950764431794316,0.779934315984972,0.7679722008838097,0.758516834819645,0.7508941886792854,0.7444970903584999,0.7392253436793611,0.7349051836283503,0.8,0.8316072094855789,0.8558887197689985,0.8749235568205684,0.8900656840150281,0.9020277991161904,0.911483165180355,0.9191058113207147,0.9255029096415002,0.9307746563206389,0.9350948163716497,third
+272,11.25,95,2.1675278942551532e+16,2.27,0.8197798314933114,110.5,Linear,Acid,1,0.012347800565357624,0.006830912294494329,9.45,9.364196113695485,9.279698666074701,9.196487761574524,9.11454380084514,9.033847511334034,8.954379905252571,8.87612227399762,8.79905618815154,8.7231634974822,8.64842633094296,0.29,0.29,0.29,0.29,0.29,0.29,0.29,0.29,0.29,0.29,0.29,1.26,1.3458038863045143,1.4303013339252988,1.513512238425475,1.595456199154859,1.6761524886659656,1.7556200947474279,1.8338777260023802,1.9109438118484579,1.9868365025177983,2.0615736690570396,first
+271,11.52,96,1.8134919373953667e+17,0.7,-0.35667494393873245,101.1,Linear,Enzyme,0,0.05676274800355631,0.03338222708743529,5.44,1.8096467090747819,1.3170805057855701,1.0856335697731498,0.9456349676513235,0.8477177032175494,0.7758680563851873,0.7194449137718418,0.6734936074925848,0.635439877451169,0.6031715760666568,0.92,0.92,0.92,0.92,0.92,0.92,0.92,0.92,0.92,0.92,0.92,3.89,5.100117763641739,5.264306498071477,5.341455476742283,5.388121677449559,5.420760765594149,5.444710647871604,5.463518362076052,5.478835464169138,5.49152004084961,5.502276141311114,third
+276,4.98,99,2.146561274861181e+17,4.41,1.4838746894587547,115.9,Unknown,Enzyme,0,0.039330396516257395,0.035364281633354755,4.41,4.378535682786994,4.3470713655739885,4.315607048360982,4.284142731147977,4.252678413934971,4.2212140967219645,4.189749779508959,4.158285462295953,4.126821145082947,4.095356827869941,3.75,3.75,3.75,3.75,3.75,3.75,3.75,3.75,3.75,3.75,3.75,4.66,4.691464317213006,4.722928634426012,4.754392951639018,4.785857268852023,4.817321586065029,4.848785903278036,4.880250220491042,4.911714537704047,4.943178854917053,4.974643172130059,zero
+280,12.85,99,3.691130333559841e+17,3.57,1.2725655957915476,52.1,Linear,Base,0,0.12526105275375857,0.07386369155245086,5.81,4.4068732942059565,3.6942354819664187,3.2713698958621302,2.9969273802107343,2.809448088154794,2.675007803951636,2.5772074744959976,2.5038293810878898,2.4480826071528172,2.405372384108448,3.56,2.1568732942059574,1.4442354819664194,1.0213698958621305,0.7469273802107346,0.5594480881547942,0.4250078039516363,0.32720747449599763,0.25382938108788966,0.1980826071528173,0.15537238410844809,2.28,3.6831267057940424,4.39576451803358,4.81863010413787,5.0930726197892655,5.280551911845206,5.414992196048364,5.512792525504002,5.586170618912111,5.641917392847183,5.684627615891552,second
+271,7.39,94,3.656119936054191e+17,4.73,1.5539252025038417,62.4,Ring,None,1,0.2780210239218062,0.23958500039392303,5.63,3.364388502693097,3.330581081749117,3.3293358182424386,3.3291102351387045,3.3290251337113945,3.3289241272686936,3.328856640363401,3.328972037532043,3.3291248198343832,3.329456254122857,1.41,0.2771942513465483,0.2602905408745581,0.2596679091212189,0.25955511756935196,0.2595125668556969,0.2594620636343464,0.25942832018170014,0.2594860187660214,0.2595624099171917,0.25972812706142834,2.19,3.3228057486534515,3.3397094591254417,3.340332090878781,3.3404448824306483,3.340487433144303,3.3405379363656538,3.3405716798182996,3.340513981233978,3.340437590082808,3.3402718729385716,third
+273,11.83,100,2.322543386655231e+17,1.61,0.4762341789963717,88.1,Ring,Acid,0,0.01704923978304071,0.014900899836197275,7.38,6.1432794428399,5.260746848691188,4.60076789884993,4.091110807570792,3.6805340221167646,3.344176855522783,3.0656106380799972,2.830782646915073,2.6284310204152086,2.4525802515161583,2.79,2.79,2.79,2.79,2.79,2.79,2.79,2.79,2.79,2.79,2.79,0.74,1.3583602785800497,1.7996265756544059,2.129616050575035,2.3844445962146037,2.589732988941617,2.7579115722386085,2.897194680960001,3.014608676542463,3.1157844897923956,3.2037098742419206,second
+274,1.27,92,3.585029203010349e+16,3.33,1.2029723039923526,170.7,Branched,Enzyme,1,0.10356690612075987,0.07693588239809154,1.08,0.9309789275736735,0.8282400497186717,0.7550332284858018,0.7017682720624122,0.6617392274700302,0.6315946461271355,0.6087887131484007,0.591158771236028,0.577471211913089,0.5668491450534384,2.72,2.72,2.72,2.72,2.72,2.72,2.72,2.72,2.72,2.72,2.72,0.1,0.17451053621316331,0.2258799751406642,0.2624833857570992,0.28911586396879396,0.3091303862649849,0.32420267693643234,0.3356056434257997,0.34442061438198607,0.35126439404345555,0.35657542747328086,second
+275,3.43,94,1.2910778335781794e+17,0.75,-0.2876820724517809,154.7,Ring,Enzyme,0,0.1801183202469111,0.0953847322338144,4.86,1.052654663314151,0.7529402523441538,0.6174841149279142,0.5353860860519479,0.47984224314347407,0.4381105317330659,0.4057971490314044,0.37998410314271425,0.35838706220327504,0.34000582224463777,0.42,0.42,0.42,0.42,0.42,0.42,0.42,0.42,0.42,0.42,0.42,2.82,4.089115112228617,4.189019915885283,4.234171961690696,4.261537971316018,4.280052585618843,4.293963156088979,4.3047342836562,4.313338632285763,4.320537645932243,4.326664725918455,third
+275,8.66,90,2.8486850087294717e+17,4.94,1.5973653311998313,134.4,Branched,Acid,0,2.285882570762266,1.2139573452449233,1.15,0.22148305677603738,0.12268312436009815,0.0847996961108112,0.06472872146883507,0.05241065760232578,0.04397589192058788,0.03794212950681007,0.033319448152908195,0.02970355530716771,0.026797439413065404,2.73,2.73,2.73,2.73,2.73,2.73,2.73,2.73,2.73,2.73,2.73,1.1,1.5642584716119818,1.6136584378199512,1.6326001519445947,1.6426356392655828,1.6487946711988375,1.6530120540397064,1.6560289352465953,1.6583402759235462,1.6601482223464166,1.6616012802934677,second
+272,5.54,100,4.581548513808975e+17,3.13,1.1410330045520618,137.3,Unknown,Enzyme,0,0.028602693545552595,0.021866124531842095,8.07,7.887437683348779,7.709005356624611,7.534609589470998,7.364158983586325,7.1975643101600095,7.034738475915775,6.875596248429524,6.7200542537412185,6.568030976354886,6.419446759238616,0.77,0.77,0.77,0.77,0.77,0.77,0.77,0.77,0.77,0.77,0.77,2.88,2.88,2.88,2.88,2.88,2.88,2.88,2.88,2.88,2.88,2.88,first
+273,9.31,95,2.7512726398259024e+17,4.2,1.4350845252893227,35.7,Ring,Acid,1,0.1828048666162906,0.14226107375303015,2.14,2.1971484618344124,2.24119260803634,2.275150970172216,2.3018148884161875,2.322446735513535,2.3378990383896956,2.3492370883445144,2.3577389410522462,2.364795759926351,2.3704529901092726,1.29,1.29,1.29,1.29,1.29,1.29,1.29,1.29,1.29,1.29,1.29,3.32,3.2628515381655876,3.21880739196366,3.184849029827784,3.1581851115838124,3.1375532644864648,3.1221009616103044,3.1107629116554856,3.1022610589477537,3.095204240073649,3.0895470098907274,first
+280,11.83,96,4.435132100135494e+17,0.64,-0.4462871026284195,110.2,Ring,Base,1,0.5460599276533865,0.30991400001029196,8.82,1.5066997841938712,1.5083381277148118,1.5063074895393298,1.5058693288586482,1.507661906653656,1.5083521826482797,1.5063420720243734,1.505863041236919,1.507606206987103,1.507610843285814,0.65,0.65,0.65,0.65,0.65,0.65,0.65,0.65,0.65,0.65,0.65,3.59,6.027766738602043,6.0272206240950625,6.02789750348689,6.028043557047116,6.027446031115448,6.02721593911724,6.027885975991876,6.028045652921027,6.027464597670966,6.027463052238062,third
+277,3.81,95,4.0685468811880896e+17,4.68,1.5432981099295553,176.6,Linear,None,0,0.4947491831517079,0.3485955807735549,8.28,5.573613421954338,3.750102962795558,2.5257726136685075,1.7000541279748178,1.144356874871853,0.771233590935732,0.518680790567644,0.3497397779444988,0.23546026247140314,0.1585329233336156,1.65,1.65,1.65,1.65,1.65,1.65,1.65,1.65,1.65,1.65,1.65,1.22,3.926386578045661,5.749897037204441,6.974227386331492,7.799945872025181,8.355643125128147,8.728766409064267,8.981319209432355,9.1502602220555,9.264539737528596,9.341467076666383,first
+277,11.43,98,8.914557416976526e+16,1.93,0.6575200029167941,127.0,Branched,Acid,0,0.029465037136726973,0.020957467647496855,1.74,1.6080858792796486,1.494767479630774,1.3962924406353932,1.309959448826829,1.2338172454569787,1.1661770293946632,1.1056037129895175,1.050916076623268,1.0013068232200792,0.9561702419960423,3.46,3.46,3.46,3.46,3.46,3.46,3.46,3.46,3.46,3.46,3.46,0.0,0.06595706036017575,0.12261626018461314,0.17185377968230342,0.2150202755865856,0.2530913772715107,0.2869114853026684,0.3171981435052413,0.344541961688366,0.3693465883899603,0.39191487900197886,second
+271,6.8,95,4.289346184488896e+17,4.75,1.55814461804655,53.8,Ring,None,0,0.2092635519556031,0.14961864230747424,2.79,2.359923234946921,1.9961500589976717,1.687894809407338,1.4267375510734346,1.206380955765783,1.020861132569188,0.8645375173323067,0.7320928726676448,0.6192744366840164,0.5238153404967031,1.86,1.86,1.86,1.86,1.86,1.86,1.86,1.86,1.86,1.86,1.86,4.71,4.71,4.71,4.71,4.71,4.71,4.71,4.71,4.71,4.71,4.71,first
+277,10.23,95,2.0364179248841356e+16,4.93,1.5953389880545987,178.0,Branched,Acid,0,0.0247635368182782,0.014943750198482767,9.78,6.46415315244081,5.685055925393506,5.349802070195005,5.17754707861467,5.0812626854284275,5.025241417237093,4.991957849866824,4.971763555733558,4.959527954498086,4.952007017618865,2.42,0.7620765762204058,0.37252796269675376,0.20490103509750324,0.11877353930733542,0.07063134271421441,0.04262070861854718,0.025978924933412834,0.015881777866779658,0.009763977249043833,0.006003508809433044,1.34,2.9979234237795946,3.3874720373032465,3.555098964902497,3.6412264606926645,3.689368657285786,3.717379291381453,3.7340210750665874,3.7441182221332205,3.7502360227509564,3.753996491190567,third
+276,6.39,96,1.733868333361401e+17,3.13,1.1410330045520618,143.3,Branched,None,1,0.11743281778535726,0.08566099200604055,8.89,6.908857317416507,6.151412616594849,5.811386048090836,5.6470047625646735,5.565643948013705,5.524061506573139,5.502950809659502,5.491972767902061,5.4865904424367535,5.4836121581568085,4.26,2.2788573174165063,1.5214126165948483,1.1813860480908356,1.0170047625646728,0.9356439480137054,0.894061506573138,0.8729508096595016,0.86197276790206,0.8565904424367528,0.8536121581568074,2.98,4.961142682583494,5.718587383405152,6.058613951909165,6.2229952374353275,6.304356051986296,6.345938493426862,6.367049190340499,6.37802723209794,6.3834095575632475,6.3863878418431925,second
+274,1.26,99,4.767961536979088e+17,2.99,1.095273387402595,56.7,Linear,Base,0,0.0637604311884534,0.04117656062843048,2.12,2.0689916550492375,2.017983310098475,1.966974965147712,1.9159666201969494,1.8649582752461866,1.8139499302954238,1.7629415853446613,1.7119332403938983,1.6609248954431357,1.609916550492373,1.88,1.88,1.88,1.88,1.88,1.88,1.88,1.88,1.88,1.88,1.88,3.56,3.6110083449507626,3.662016689901525,3.713025034852288,3.7640333798030507,3.8150417247538138,3.8660500697045763,3.9170584146553393,3.968066759606102,4.0190751045568645,4.070083449507628,zero
+272,10.43,91,4.1608986207426176e+17,2.91,1.0681530811834012,70.1,Unknown,Enzyme,0,1.389940661172612,0.8192115502578501,9.16,8.04804747106191,6.93609494212382,5.82414241318573,4.712189884247641,3.600237355309552,2.4882848263714594,1.376332297433371,0.26437976849528155,-0.8475727604428078,-1.959525289380898,3.21,3.21,3.21,3.21,3.21,3.21,3.21,3.21,3.21,3.21,3.21,1.14,2.25195252893809,3.3639050578761793,4.47585758681427,5.587810115752358,6.6997626446904475,7.81171517362854,8.923667702566629,10.035620231504717,11.147572760442808,12.259525289380898,zero
+273,6.7,94,4.350149816178278e+16,2.14,0.7608058290337602,106.1,Unknown,Base,0,0.04490564370019224,0.03383223421832644,8.49,2.090873025003705,1.5022218496412445,1.2324544599233516,1.0708460121422432,0.9587060186224745,0.8767450520480315,0.8121804063136113,0.7599277746638287,0.7167821250562357,0.6802119102544939,3.93,3.93,3.93,3.93,3.93,3.93,3.93,3.93,3.93,3.93,3.93,4.21,6.343042324998765,6.539259383452919,6.629181846692216,6.683051329285918,6.720431327125842,6.747751649317323,6.769273197895463,6.786690741778723,6.801072624981255,6.813262696581835,third
+277,5.19,98,4.5721404727040083e+17,1.39,0.3293037471426003,110.2,Unknown,None,0,0.1511216794296528,0.11563309986729824,9.83,2.9178496101577096,1.7149155117892458,1.2134477920856126,0.9382932473410516,0.7661255582622212,0.6461363817496577,0.5593972311401703,0.49315733100673037,0.4406172942953581,0.398205059679815,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,4.47,7.926075194921145,8.527542244105376,8.778276103957193,8.915853376329475,9.00193722086889,9.061931809125172,9.105301384429914,9.138421334496634,9.164691352852321,9.185897470160093,second
+278,7.66,95,4.7287348684761414e+17,4.42,1.4861396960896067,39.9,Linear,Enzyme,0,0.6670115694803972,0.3699127122217935,1.28,0.371874567863001,0.22642763619678463,0.16422504087854514,0.1291243742447171,0.10664125324514577,0.09083280468042605,0.07926626158138902,0.07025467983183889,0.06310014740499044,0.057281390370407234,2.12,1.665937283931501,1.5932138180983926,1.562112520439273,1.544562187122359,1.5333206266225732,1.5254164023402133,1.5196331307906947,1.5151273399159195,1.5115500737024954,1.5086406951852038,4.52,4.974062716068499,5.0467861819016075,5.077887479560727,5.095437812877641,5.1066793733774265,5.114583597659786,5.120366869209305,5.12487266008408,5.128449926297504,5.131359304814795,third
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+272,5.67,93,3.6434285384510054e+17,2.33,0.8458682675776092,162.1,Unknown,Base,0,0.5026055432231737,0.32671272182677724,1.93,0.45186092483684476,0.14095749428790583,0.047170865032994475,0.01614120709493074,0.005566014848895606,0.0019245918910353007,0.000666112706194189,0.00023057552084449948,7.978646851146978e-05,2.7889706697467713e-05,4.57,3.091860924836845,2.780957494287906,2.6871708650329946,2.6561412070949313,2.645566014848896,2.6419245918910357,2.6406661127061946,2.640230575520845,2.6400797864685117,2.6400278897066976,0.08,1.558139075163155,1.8690425057120938,1.9628291349670053,1.993858792905069,2.0044339851511044,2.0080754081089647,2.009333887293806,2.0097694244791553,2.0099202135314886,2.009972110293303,second
+280,12.39,92,1.6529158644764566e+17,2.92,1.0715836162801904,110.2,Branched,Acid,1,1.134542029915371,0.8913991148630657,1.77,1.050613992703241,1.0461338073151316,1.0463499014302309,1.0453224777115255,1.0474809374408764,1.045509282817223,1.04670045952848,1.0450801752084773,1.047508711437341,1.0462292267553321,4.34,3.6206139927032406,3.6161338073151312,3.6163499014302305,3.6153224777115254,3.6174809374408765,3.615509282817223,3.6167004595284804,3.615080175208478,3.6175087114373414,3.6162292267553324,4.09,4.809386007296759,4.813866192684868,4.813650098569768,4.8146775222884735,4.812519062559122,4.814490717182776,4.81329954047152,4.814919824791522,4.812491288562658,4.813770773244666,second
+275,11.4,96,3.526690146681198e+17,4.32,1.463255402256019,92.8,Branched,Base,1,0.20514963865677763,0.18322663183671312,9.94,8.519755289590597,8.519691769046988,8.519823464812026,8.519775521778707,8.519686758325397,8.519759377698913,8.519839100956412,8.519723270926113,8.519707597064514,8.51984472765932,0.75,0.03987764479529975,0.039845884523494926,0.039911732406014526,0.03988776088935499,0.03984337916270148,0.039879688849459076,0.03991955047820861,0.039861635463058355,0.03985379853225985,0.03992236382966286,2.53,3.2401223552047003,3.240154115476505,3.2400882675939853,3.2401122391106445,3.240156620837298,3.2401203111505397,3.2400804495217903,3.2401383645369406,3.240146201467739,3.240077636170336,third
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+276,8.0,92,3.5111065557497e+17,1.74,0.5538851132264376,135.6,Linear,None,1,1.359153432862854,0.9033556569401129,3.36,3.3757937822806348,3.3761902951725165,3.3757238149301636,3.37617030391384,3.375849149800945,3.3760020437124956,3.3760308748746506,3.3757980660285516,3.376101696041529,3.3757022121788847,0.1,0.10789689114031763,0.10809514758625859,0.10786190746508202,0.10808515195691998,0.10792457490047272,0.1080010218562478,0.10801543743732553,0.10789903301427599,0.10805084802076464,0.1078511060894424,1.86,1.8521031088596827,1.8519048524137418,1.8521380925349182,1.85191484804308,1.8520754250995275,1.8519989781437523,1.8519845625626747,1.8521009669857242,1.8519491519792355,1.8521488939105577,third
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+278,9.06,98,2.4746807449806614e+17,2.1,0.7419373447293773,172.7,Branched,Enzyme,0,0.0953243949489811,0.0554250757072524,1.75,1.6737404840408152,1.5974809680816302,1.5212214521224454,1.4449619361632606,1.3687024202040756,1.2924429042448908,1.2161833882857058,1.139923872326521,1.0636643563673363,0.9874048404081514,0.94,0.94,0.94,0.94,0.94,0.94,0.94,0.94,0.94,0.94,0.94,3.39,3.466259515959185,3.5425190319183697,3.6187785478775547,3.6950380638367397,3.7712975797959243,3.8475570957551093,3.9238166117142943,4.000076127673479,4.076335643632664,4.152595159591849,zero
+280,5.7,96,3.1346578891647456e+17,1.83,0.6043159668533296,46.2,Ring,Base,0,0.38594364756872185,0.2840878639162586,6.36,4.670472913410347,3.429472822341083,2.5164895669261957,1.8493878234468362,1.3595155710326638,0.997566684826261,0.7329501531874779,0.5389365840537041,0.39574182268709024,0.2906572938887438,2.9,2.9,2.9,2.9,2.9,2.9,2.9,2.9,2.9,2.9,2.9,4.93,6.619527086589653,7.860527177658917,8.773510433073804,9.440612176553163,9.930484428967336,10.292433315173739,10.557049846812522,10.751063415946295,10.894258177312908,10.999342706111255,first
+272,3.83,96,2.5099169644765667e+17,1.26,0.23111172096338664,26.0,Linear,Acid,0,0.09188364423575014,0.06412347571441333,7.11,6.176453895290421,5.652608759624769,5.330767697982072,5.123472766275531,4.986183538505445,4.893186936641919,4.829099697393624,4.784917250001502,4.753892726596221,4.73215431404954,2.43,1.4964538952904207,0.9726087596247682,0.6507676979820709,0.44347276627552956,0.30618353850544466,0.2131869366419182,0.1490996973936228,0.10491725000150182,0.0738927265962208,0.05215431404953934,4.81,5.743546104709579,6.267391240375231,6.589232302017928,6.796527233724469,6.933816461494555,7.026813063358081,7.090900302606376,7.135082749998498,7.166107273403779,7.18784568595046,second
+274,1.56,93,2.5334646416202044e+16,1.77,0.5709795465857378,139.6,Linear,Acid,0,0.04718444975125104,0.03764918602547098,4.68,4.506634063745398,4.33969031161107,4.178930791936475,4.024125458302486,3.8750545714936644,3.731506614629705,3.5932771472952387,3.460168805539834,3.331991301877993,3.208561425289157,4.39,4.39,4.39,4.39,4.39,4.39,4.39,4.39,4.39,4.39,4.39,2.84,2.84,2.84,2.84,2.84,2.84,2.84,2.84,2.84,2.84,2.84,first
+277,5.36,95,1.366411043399219e+17,1.72,0.5423242908253617,107.7,Branched,None,1,0.16616024524555145,0.08329937013542925,9.02,8.07824852027864,7.812170946561485,7.730373884520856,7.704527127571538,7.696358072714586,7.693671524915963,7.692774318729142,7.692578783829203,7.692470847817956,7.692425758325311,1.71,0.7682485202786388,0.5021709465614842,0.42037388452085467,0.39452712757153713,0.3863580727145853,0.3836715249159629,0.3827743187291408,0.38257878382920174,0.38247084781795637,0.3824257583253104,4.54,5.4817514797213605,5.747829053438515,5.829626115479145,5.855472872428463,5.863641927285414,5.866328475084037,5.867225681270859,5.867421216170798,5.867529152182044,5.867574241674689,second
+280,3.9,97,3.5631599201931756e+16,3.0,1.0986122886681098,129.5,Linear,None,1,0.02855025809010228,0.018196625654068706,6.16,5.875830894769918,5.643722710986031,5.451586431303196,5.291425823655729,5.157899034080852,5.046059326964659,4.951337753663767,4.869652486560673,4.799356370059474,4.739022164274493,2.61,2.325830894769919,2.0937227109860315,1.9015864313031956,1.7414258236557287,1.6078990340808526,1.4960593269646596,1.401337753663767,1.3196524865606727,1.249356370059474,1.1890221642744931,3.58,3.864169105230081,4.096277289013968,4.288413568696804,4.4485741763442705,4.582100965919147,4.69394067303534,4.788662246336233,4.870347513439327,4.940643629940526,5.000977835725507,second
+278,12.43,90,4.328130805121541e+17,2.9,1.0647107369924282,198.0,Branched,Base,0,5.311224432496547,2.8123797896573843,5.45,1.2010204540027591,-3.0479590919944766,-7.296938637991717,-11.545918183988956,-15.794897729986193,-20.04387727598344,-24.292856821980685,-28.54183636797793,-32.79081591397519,-37.039795459972424,4.08,4.08,4.08,4.08,4.08,4.08,4.08,4.08,4.08,4.08,4.08,4.1,8.34897954599724,12.597959091994476,16.846938637991716,21.095918183988957,25.344897729986194,29.593877275983438,33.84285682198068,38.091836367977926,42.340815913975185,46.58979545997242,zero
+272,8.48,92,1.9019757691649424e+17,2.4,0.8754687373538999,108.1,Linear,None,1,0.4082893499633764,0.3156220484402005,9.02,7.467037082453894,6.59759493033967,6.1106784469496205,5.837309939072507,5.684551311847928,5.599062500303127,5.550062843116797,5.524611337930881,5.509076993666915,5.5003692152699255,1.13,1.13,1.13,1.13,1.13,1.13,1.13,1.13,1.13,1.13,1.13,3.57,5.122962917546104,5.992405069660329,6.4793215530503785,6.752690060927492,6.905448688152071,6.990937499696872,7.039937156883202,7.065388662069118,7.080923006333084,7.0896307847300735,first
+272,9.07,90,3.1532246264817574e+17,2.86,1.0508216248317612,127.4,Unknown,Enzyme,1,1.639117506414661,1.172549516815678,9.03,1.514595634238204,1.5132914107345556,1.5126657772175889,1.5151023316828256,1.5125730994898154,1.5139516001790667,1.514343356175913,1.5123935433570836,1.5150720846026737,1.5140835497842537,4.11,4.11,4.11,4.11,4.11,4.11,4.11,4.11,4.11,4.11,4.11,2.34,4.845134788587264,4.845569529755147,4.845778074260802,4.844965889439057,4.845808966836727,4.845349466606976,4.845218881274694,4.845868818880969,4.844975971799106,4.845305483405248,third
+278,10.52,98,4.352023206001982e+17,4.92,1.5933085305042167,167.0,Ring,Enzyme,0,0.16763939338741077,0.11065625722529049,9.61,2.227674493854038,1.7040727516578067,1.4736625806100891,1.3385146372678287,1.2490327101340812,1.1844550026342056,1.1362054449377341,1.0983636753153578,1.0680560099697527,1.0433610091302006,4.36,0.6688372469270194,0.4070363758289038,0.291831290305045,0.2242573186339148,0.17951635506704103,0.1472275013171031,0.12310272246886743,0.10418183765767931,0.08902800498487676,0.07668050456510062,0.72,4.41116275307298,4.672963624171096,4.788168709694955,4.8557426813660856,4.90048364493296,4.932772498682898,4.956897277531133,4.975818162342321,4.990971995015124,5.0033194954349005,third
+274,6.54,94,3.143842653043655e+17,4.46,1.4951487660319727,130.4,Linear,Base,0,0.3774857759752541,0.3299804311199048,4.56,4.258011379219797,3.9560227584395924,3.65403413765939,3.3520455168791865,3.050056896098983,2.7480682753187793,2.446079654538576,2.144091033758372,1.8421024129781682,1.540113792197964,1.47,1.47,1.47,1.47,1.47,1.47,1.47,1.47,1.47,1.47,1.47,3.03,3.331988620780203,3.633977241560407,3.9359658623406095,4.237954483120813,4.539943103901017,4.841931724681221,5.1439203454614235,5.445908966241627,5.747897587021831,6.049886207802036,zero
+278,1.55,98,1.20805605675718e+17,1.45,0.371563556432483,147.4,Linear,Enzyme,1,0.04653416926947078,0.026514020226675764,9.1,8.917871947840055,8.79311037244986,8.706464183668926,8.646589956954141,8.604662663636708,8.574927600587374,8.55419814435107,8.53958567323962,8.529190247338112,8.521863424074942,0.82,0.6378719478400552,0.5131103724498588,0.426464183668926,0.36658995695414187,0.3246626636367057,0.29492760058737305,0.2741981443510685,0.2595856732396186,0.24919024733811176,0.2418634240749412,2.75,2.932128052159945,3.056889627550141,3.143535816331074,3.203410043045858,3.2453373363632942,3.2750723994126267,3.2958018556489312,3.310414326760381,3.320809752661888,3.328136575925059,second
+279,13.85,95,2.492176243656417e+17,3.69,1.3056264580524357,96.7,Branched,Enzyme,0,0.407331354063117,0.26281882635725934,1.6,0.6543789551683837,0.48338846057792884,0.4006156024462429,0.34966400626414124,0.31422724561915844,0.28793908172722066,0.26703857892554084,0.2501922119267494,0.23629598751177744,0.22445710647285022,2.23,2.23,2.23,2.23,2.23,2.23,2.23,2.23,2.23,2.23,2.23,1.73,2.0452070149438724,2.102203846474024,2.129794799184586,2.14677866457862,2.1585909181269476,2.1673536394242605,2.1743204736914867,2.1799359293577507,2.1845680041627413,2.1885142978423837,third
+280,7.77,92,8.593895644658592e+16,4.82,1.572773928062509,124.4,Branched,Enzyme,0,0.5898749004178792,0.36917193738832477,1.38,0.8607311959325772,0.5369414281036109,0.33478130225438957,0.20920634873702543,0.130416153325587,0.08149889743578158,0.05079736185777221,0.0317491541607751,0.01978659864137585,0.01236825274910181,1.97,1.97,1.97,1.97,1.97,1.97,1.97,1.97,1.97,1.97,1.97,4.04,4.559268804067423,4.883058571896389,5.085218697745611,5.210793651262974,5.289583846674413,5.338501102564218,5.3692026381422275,5.388250845839225,5.400213401358624,5.407631747250898,first
+279,7.23,93,3.4670823972601536e+17,4.15,1.423108334242607,155.3,Ring,Base,1,1.342111629889948,0.8669623637109725,5.71,2.388872455247064,2.3890686960298946,2.389199103470324,2.3886517241154017,2.388727472687175,2.3884937746464914,2.388558131937761,2.3885439766162446,2.388869765688649,2.3890306911775245,1.99,0.3294362276235324,0.3295343480149477,0.3295995517351624,0.3293258620577011,0.3293637363435879,0.3292468873232459,0.3292790659688805,0.3292719883081223,0.3294348828443246,0.3295153455887623,1.25,2.9105637723764683,2.9104656519850534,2.9104004482648387,2.9106741379423,2.9106362636564134,2.910753112676755,2.910720934031121,2.9107280116918792,2.910565117155677,2.9104846544112393,third
+273,10.85,93,3.350000522622951e+17,4.99,1.6074359097634274,189.4,Unknown,Base,1,0.5372595884991201,0.3839227542348938,7.07,5.252205812042272,4.382139004807948,3.9663818657474854,3.7677206332730098,3.6714680092482017,3.62689152211739,3.6040422760512025,3.5942545452913786,3.5892782830306733,3.586662751412076,3.17,3.17,3.17,3.17,3.17,3.17,3.17,3.17,3.17,3.17,3.17,1.53,3.347794187957729,4.217860995192051,4.633618134252514,4.83227936672699,4.9285319907517975,4.97310847788261,4.995957723948797,5.005745454708621,5.010721716969326,5.0133372485879235,first
+274,2.79,91,1.096701208419944e+17,4.93,1.5953389880545987,26.0,Unknown,Enzyme,0,0.49142911678849843,0.3271299853178681,8.81,0.6507540134447053,0.4608205953924922,0.37651110656036124,0.32588069594451075,0.2917481068116894,0.2662152397935052,0.24642472306889301,0.23065176599520104,0.21750335500130397,0.2062971561121415,1.14,1.14,1.14,1.14,1.14,1.14,1.14,1.14,1.14,1.14,1.14,2.84,5.559748662185098,5.623059801535835,5.651162964479878,5.668039768018495,5.679417297729436,5.687928253402164,5.694525092310368,5.699782744668266,5.704165548332898,5.707900947962618,third
+277,12.76,90,3.5180899232991756e+16,3.47,1.244154593958768,193.5,Linear,Enzyme,1,0.3751027850014273,0.26817514385924573,9.91,2.5946743031053434,2.465621306186181,2.4607955504964476,2.460889029615252,2.461019544942635,2.4600025107808943,2.460246769303605,2.4596538433087933,2.4572183067695965,2.461184205298344,4.17,4.17,4.17,4.17,4.17,4.17,4.17,4.17,4.17,4.17,4.17,4.74,8.397662848447327,8.462189346906907,8.464602224751776,8.464555485192374,8.464490227528682,8.464998744609552,8.464876615348196,8.465173078345602,8.466390846615202,8.464407897350826,second
+274,7.17,95,1.833618550217278e+17,2.71,0.9969486348916096,20.1,Ring,Acid,0,0.14193991023419425,0.07758785397344024,8.89,2.3010477886525473,1.732204460770174,1.4771029105446614,1.324944308701045,1.2222813599687665,1.1469497793134273,1.0896340584323339,1.0437807865619608,1.0062837339372508,0.9750690347973245,4.09,0.7955238943262731,0.5111022303850866,0.38355145527233026,0.3074721543505221,0.25614067998438284,0.21847488965671324,0.18981702921616647,0.16689039328098,0.14814186696862494,0.13253451739866184,3.46,6.754476105673727,7.0388977696149135,7.16644854472767,7.2425278456494775,7.293859320015617,7.331525110343287,7.360182970783834,7.38310960671902,7.401858133031375,7.417465482601338,third
+273,10.75,96,3.191282909337116e+17,3.78,1.3297240096314962,39.4,Unknown,Base,0,0.13648246014454737,0.08080061692399407,2.83,2.537274833218723,2.274828809074404,2.0393380749162833,1.8280361774187344,1.6386704906571055,1.469104337765163,1.3173167993355257,1.1814027134196627,1.0595726755278942,0.9501530386293919,4.84,4.84,4.84,4.84,4.84,4.84,4.84,4.84,4.84,4.84,4.84,1.85,2.1427251667812772,2.405171190925596,2.640661925083717,2.851963822581266,3.0413295093428947,3.2108956622348375,3.3626832006644745,3.4985972865803374,3.620427324472106,3.7298469613706082,first
+278,11.22,91,2.0279918784498915e+17,1.28,0.2468600779315258,32.6,Linear,Acid,0,1.6145790485988913,1.1830043904472392,4.33,0.35873197516475,0.25400365971556516,0.20753211912226627,0.17989671949561412,0.16082969721196774,0.14684980174480136,0.1360482367067592,0.1272266990973166,0.11993070038017895,0.11376066113193509,0.94,0.94,0.94,0.94,0.94,0.94,0.94,0.94,0.94,0.94,0.94,3.94,5.263756008278417,5.298665446761479,5.314155960292578,5.3233677601681295,5.329723434262678,5.3343833994184,5.337983921097748,5.340924433634228,5.3433564332066075,5.345413112956022,third
+272,5.0,94,9.241723150958462e+16,4.24,1.4445632692438664,182.0,Unknown,Base,1,0.0819264089926138,0.04818857907641348,5.91,2.002998540808228,1.4448474727679683,1.2241887004310548,1.1151644002736323,1.0567656384005701,1.0237779660574093,1.0049147386826924,0.9934514501905021,0.9871622910265014,0.9832504965687205,4.09,2.136499270404114,1.8574237363839836,1.747094350215527,1.6925822001368158,1.6633828192002846,1.6468889830287043,1.6374573693413457,1.6317257250952506,1.6285811455132502,1.6266252482843597,0.17,2.123500729595886,2.4025762636160164,2.512905649784473,2.5674177998631844,2.596617180799715,2.6131110169712954,2.622542630658654,2.6282742749047494,2.6314188544867494,2.6333747517156403,third
+276,1.9,95,2.9894364385839994e+17,2.05,0.7178397931503168,42.0,Unknown,Acid,1,0.31305847710473794,0.21356731816197877,1.61,1.868055496416094,2.0371338057263126,2.14886314992164,2.2213058912485564,2.268524171652818,2.300472096773329,2.320940577338546,2.3339811273972284,2.3430041350913626,2.3489230078604106,1.37,1.37,1.37,1.37,1.37,1.37,1.37,1.37,1.37,1.37,1.37,4.21,3.951944503583906,3.782866194273687,3.67113685007836,3.5986941087514435,3.551475828347182,3.519527903226671,3.4990594226614538,3.4860188726027714,3.476995864908637,3.471076992139589,first
+276,6.75,90,7.388766628364186e+16,1.77,0.5709795465857378,95.2,Unknown,None,0,0.6837887971311256,0.454744453758265,9.86,5.703755998819393,3.301318327276594,1.910814097385094,1.1063097614816018,0.6410153343665388,0.3707330005282188,0.21496184783793948,0.12427346547652625,0.07205225828344895,0.04169805741848779,4.35,4.35,4.35,4.35,4.35,4.35,4.35,4.35,4.35,4.35,4.35,0.42,0.42,0.42,0.42,0.42,0.42,0.42,0.42,0.42,0.42,0.42,first
+278,8.78,97,3.048294099245111e+17,4.23,1.4422019930581866,190.0,Branched,Acid,0,0.18098514009595526,0.09725120002184354,1.61,1.0990161313513407,0.8383171762002871,0.6752236605888455,0.5646637253257468,0.48566778416757683,0.42631369396097984,0.379331552883957,0.34185969113855325,0.3113819433348032,0.2857959569373933,1.63,1.63,1.63,1.63,1.63,1.63,1.63,1.63,1.63,1.63,1.63,4.02,4.27549193432433,4.405841411899856,4.487388169705577,4.5426681373371265,4.582166107916211,4.611843153019509,4.63533422355802,4.654070154430722,4.669309028332598,4.6821020215313025,second
+275,4.37,95,1.7320144990220317e+17,0.64,-0.4462871026284195,89.9,Unknown,Enzyme,0,0.15602923560993315,0.11100987370687836,4.46,3.936629565579053,3.474678798199659,3.066564776714599,2.7057174403103295,2.3873424029084567,2.1069040403744355,1.8600819656772125,1.6427710288892157,1.4510813171863628,1.281338154848056,2.36,2.36,2.36,2.36,2.36,2.36,2.36,2.36,2.36,2.36,2.36,0.54,0.54,0.54,0.54,0.54,0.54,0.54,0.54,0.54,0.54,0.54,first
+274,8.29,90,1.2509032978712795e+17,3.04,1.1118575154181303,179.2,Ring,None,0,0.869441883478261,0.43983916933032297,2.67,0.568044237522886,0.31788978199990514,0.22061826914847346,0.16893991690364255,0.1369879819310571,0.11506398988168143,0.09923650237041542,0.08731295552309065,0.07785656994018546,0.07024900595725606,3.09,3.09,3.09,3.09,3.09,3.09,3.09,3.09,3.09,3.09,3.09,2.6,3.650977881238557,3.776055109000047,3.8246908654257634,3.8505300415481787,3.8665060090344716,3.8774680050591592,3.8853817488147926,3.8913435222384547,3.896071715029908,3.8998754970213723,second
+276,5.89,94,2.9040916966171226e+17,1.95,0.6678293725756554,148.4,Unknown,Acid,1,0.47022882397121313,0.29345443773797353,9.95,2.1302550469613792,2.02368570793613,2.019532955758582,2.018930965473903,2.0180317701773482,2.0171719475495338,2.0182196934303387,2.019408299017484,2.019087787524535,2.0199241395388716,3.31,3.31,3.31,3.31,3.31,3.31,3.31,3.31,3.31,3.31,3.31,2.57,6.47987247651931,6.533157146031933,6.535233522120708,6.535534517263048,6.535984114911325,6.5364140262252315,6.5358901532848295,6.5352958504912575,6.535456106237731,6.535037930230563,second
+271,9.29,92,1.215835681697495e+17,4.01,1.3887912413184778,113.9,Ring,None,0,0.2246164248067978,0.14881317725123294,9.17,0.9598552414983944,0.6808724798603626,0.5563143527432635,0.48174781066778055,0.43121562860402607,0.39369271579235143,0.36434897280466244,0.34096312907132764,0.32164868508430705,0.3050994432738758,3.37,3.37,3.37,3.37,3.37,3.37,3.37,3.37,3.37,3.37,3.37,2.59,5.326714919500534,5.419709173379879,5.461228549085578,5.486084063110739,5.502928123798657,5.515435761402548,5.525217009065111,5.533012290309556,5.53945043830523,5.54496685224204,third
+278,4.99,95,3.347030418762377e+17,3.27,1.184789984909162,71.8,Ring,Acid,1,0.4721152855492533,0.3916026377200026,6.56,5.583410431999371,5.097802467022651,4.852848592266083,4.729487291522738,4.6687547893619135,4.637497408311079,4.6219244889922395,4.6149854386291365,4.610677815356653,4.608651845076895,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,3.6,4.576589568000629,5.062197532977349,5.307151407733917,5.430512708477262,5.491245210638087,5.522502591688921,5.538075511007761,5.545014561370864,5.549322184643347,5.551348154923105,first
+280,7.3,93,2.042991272224918e+17,1.14,0.131028262406404,160.6,Unknown,Acid,1,0.912593411652206,0.6593484682024185,2.74,1.8880318221748031,1.8166542252876205,1.8092079354201436,1.808368826419023,1.808156406569051,1.8079057298033074,1.8084779565144764,1.8079682210023382,1.8084495078333938,1.8082862657884278,1.44,0.5880318221748034,0.5166542252876204,0.5092079354201436,0.5083688264190229,0.5081564065690509,0.5079057298033075,0.5084779565144764,0.5079682210023382,0.5084495078333937,0.5082862657884277,0.34,1.1919681778251965,1.2633457747123793,1.2707920645798563,1.2716311735809769,1.2718435934309489,1.2720942701966924,1.2715220434855234,1.2720317789976616,1.271550492166606,1.271713734211572,second
+278,4.28,97,3.7823513806293216e+17,4.93,1.5953389880545987,140.0,Ring,None,0,0.2245680279618858,0.19054122610191557,6.99,1.0214433069695152,0.6268085856323583,0.4619059032249784,0.3685913678930232,0.30784952676163596,0.2649556958269855,0.23311102632358072,0.20808008774968878,0.18808567020430694,0.17169662644502356,4.82,1.8357216534847576,1.6384042928161793,1.5559529516124893,1.5092956839465117,1.478924763380818,1.4574778479134929,1.4415555131617905,1.4290400438748445,1.4190428351021536,1.4108483132225118,0.46,3.444278346515242,3.6415957071838205,3.7240470483875106,3.770704316053488,3.8010752366191816,3.8225221520865067,3.8384444868382093,3.850959956125155,3.860957164897846,3.8691516867774878,third
+279,13.56,96,4.610924044799538e+17,0.56,-0.579818495252942,90.4,Unknown,Enzyme,1,0.489699164959265,0.3930363313605653,5.37,1.5253175932828735,1.526773097407601,1.5250850954096502,1.526514759776553,1.5241516935392627,1.525851089948158,1.5238596610785928,1.5254320630487193,1.5248617774888786,1.5259548454951384,4.73,4.73,4.73,4.73,4.73,4.73,4.73,4.73,4.73,4.73,4.73,3.14,4.421560802239043,4.421075634197467,4.421638301530117,4.42116174674115,4.421949435486914,4.421382970017283,4.422046779640472,4.421522645650429,4.421712740837043,4.421348384834956,third
+280,12.62,90,2.855663167290384e+16,1.22,0.19885085874516517,28.7,Linear,None,1,0.4628016175472334,0.38008899802852225,2.07,1.971515680466352,1.9233669649628675,1.8979812374411125,1.8850546743349286,1.8783615186476934,1.8747055472765717,1.873450060462777,1.8724933584246612,1.8719392450201067,1.87170408112946,4.49,4.49,4.49,4.49,4.49,4.49,4.49,4.49,4.49,4.49,4.49,2.08,2.1784843195336476,2.2266330350371324,2.252018762558887,2.2649453256650713,2.2716384813523067,2.2752944527234287,2.2765499395372233,2.277506641575339,2.2780607549798932,2.27829591887054,first
+276,12.81,96,4.018473265197789e+17,4.94,1.5973653311998313,71.4,Branched,None,0,0.27216636329728755,0.21936747825574196,3.65,2.4330413165691884,1.9211320424950804,1.6457021911095335,1.4778622544646685,1.3669846061733382,1.290226268740615,1.234888433564475,1.1944772851872099,1.1640869999266281,1.1409966753716259,2.59,1.3730413165691886,0.8611320424950804,0.5857021911095335,0.4178622544646686,0.30698460617333817,0.23022626874061494,0.17488843356447498,0.1344772851872098,0.10408699992662807,0.0809966753716258,2.97,4.186958683430811,4.69886795750492,4.974297808890467,5.142137745535331,5.2530153938266615,5.329773731259384,5.3851115664355245,5.425522714812789,5.455913000073371,5.479003324628374,second
+272,3.18,97,1.664586440099325e+17,2.83,1.0402767116551463,198.7,Unknown,Enzyme,0,0.03915968201406279,0.034532072806697026,7.31,6.68524475005229,6.218367198275957,5.8578704695772075,5.575538291712247,5.350450677080319,5.1656986147939525,5.012877841627559,4.886234593148712,4.780449712086777,4.6910654743046205,3.18,2.5552447500522906,2.0883671982759573,1.7278704695772076,1.4455382917122472,1.2204506770803203,1.0356986147939535,0.8828778416275597,0.7562345931487127,0.6504497120867774,0.5610654743046212,4.17,4.79475524994771,5.261632801724042,5.622129530422792,5.904461708287753,6.129549322919679,6.314301385206047,6.46712215837244,6.593765406851287,6.6995502879132225,6.788934525695379,second
+270,5.46,97,5.764529121851993e+16,4.17,1.4279160358107101,26.5,Branched,Enzyme,1,0.00986979189649107,0.005416546792763668,8.75,7.720127333294241,6.917728681210798,6.273710218414544,5.749569779612112,5.319393589040699,4.959645529864625,4.649512513877071,4.380614839639346,4.147585643691011,3.9440626581566565,2.95,2.95,2.95,2.95,2.95,2.95,2.95,2.95,2.95,2.95,2.95,3.96,4.474936333352879,4.876135659394601,5.198144890792729,5.4602151101939445,5.675303205479651,5.855177235067687,6.010243743061465,6.144692580180327,6.2612071781544945,6.3629686709216715,second
+270,10.24,98,3.491223608979311e+16,3.59,1.2781522025001875,40.4,Ring,None,0,0.003828716474708748,0.003197746584086595,2.48,2.4724154480833627,2.464854091903639,2.457315860521978,2.44980068321591,2.442308489479156,2.434839209021042,2.427392771767093,2.419969107856408,2.4125681476411285,2.4051898216864376,0.97,0.97,0.97,0.97,0.97,0.97,0.97,0.97,0.97,0.97,0.97,0.27,0.27,0.27,0.27,0.27,0.27,0.27,0.27,0.27,0.27,0.27,first
+280,4.16,95,2.5659619981598486e+17,3.72,1.3137236682850553,160.2,Linear,Base,1,0.4854483072812531,0.3404570153016966,5.99,5.0334426119874305,4.542522661706303,4.287477273743319,4.155609727419842,4.08794174123579,4.052854363530889,4.034215210709982,4.025859231237394,4.02060667971981,4.017959547439707,3.14,3.14,3.14,3.14,3.14,3.14,3.14,3.14,3.14,3.14,3.14,3.75,4.70655738801257,5.197477338293697,5.4525227262566816,5.584390272580158,5.65205825876421,5.687145636469111,5.705784789290019,5.714140768762606,5.71939332028019,5.722040452560293,first
+274,8.16,92,2.4104798371317027e+17,3.55,1.2669476034873244,128.3,Unknown,Enzyme,0,0.696356779433138,0.4160784935726775,7.8,7.366922035971399,7.360115368895034,7.360001939752582,7.359999836991152,7.35999858548622,7.359999789949798,7.360000463650972,7.360000263624226,7.359999301399137,7.360000352936612,0.44,0.0069220359713997315,0.00011536889503540736,1.9397525836737784e-06,-1.630088463487652e-07,-1.4145137781174834e-06,-2.1005020030088187e-07,4.6365097316831554e-07,2.636242271289083e-07,-6.986008620017812e-07,3.529366123990369e-07,1.82,2.2530779640286,2.2598846311049643,2.2599980602474163,2.2600001630088467,2.260001414513779,2.2600002100502006,2.259999536349027,2.259999736375773,2.2600006986008623,2.259999647063388,second
+277,8.03,97,2.5493922068677414e+17,1.16,0.14842000511827322,172.8,Linear,Acid,0,0.13008384895878033,0.09444593348483049,8.88,1.2554311741060924,0.8926018078294926,0.7296002540042892,0.6325734717739323,0.56587089719663,0.5171142580729365,0.47861417812958135,0.44768593458704187,0.422260003276644,0.40068929582612167,1.91,1.91,1.91,1.91,1.91,1.91,1.91,1.91,1.91,1.91,1.91,2.72,5.261522941964637,5.382466064056837,5.436799915331905,5.469142176075357,5.4913763676011245,5.507628580642355,5.520461940623473,5.530771355137653,5.539246665574453,5.546436901391293,third
+275,11.07,100,6.8627430552930344e+16,4.41,1.4838746894587547,141.3,Linear,Base,1,0.0069406024316413205,0.004556349918191185,5.35,5.329719036891785,5.309623753988181,5.289712451336068,5.269983444474758,5.25043506421727,5.231065657124598,5.211873584789981,5.19285722358092,5.17401496463919,5.155345213880832,0.73,0.73,0.73,0.73,0.73,0.73,0.73,0.73,0.73,0.73,0.73,2.56,2.5802809631082155,2.6003762460118183,2.6202875486639323,2.6400165555252415,2.65956493578273,2.6789343428754018,2.69812641521002,2.7171427764190796,2.7359850353608097,2.7546547861191684,first
+276,5.41,96,2.9185644950889126e+17,4.88,1.5851452198650557,21.7,Branched,None,0,0.19767086459335612,0.09934380672935782,5.69,1.012830669075703,0.7221115645059362,0.5907802715913891,0.5124174314555029,0.4585422678581482,0.41909958080840176,0.387934746657536,0.3629112497932507,0.34234543291933844,0.32488798104148475,1.82,1.82,1.82,1.82,1.82,1.82,1.82,1.82,1.82,1.82,1.82,3.0,4.559056443641431,4.655962811831353,4.699739909469535,4.725860856181497,4.743819244047282,4.756966806397198,4.767355084447487,4.775696250068915,4.782551522360219,4.78837067298617,third
+277,10.19,96,2.3601895212601936e+17,1.03,0.02955880224154443,103.9,Ring,Base,1,0.1859144391180819,0.10960904356845613,3.54,1.498385024580096,1.4558316782754668,1.4531692450235285,1.4526154475482815,1.4544407409130937,1.454341808799492,1.4531676759143968,1.452087065683357,1.45224718419053,1.4539346060631755,3.56,3.56,3.56,3.56,3.56,3.56,3.56,3.56,3.56,3.56,3.56,4.51,5.1905383251399675,5.204722773908177,5.205610251658824,5.205794850817239,5.205186419695634,5.205219397066835,5.2056107746952,5.2059709781055465,5.205917605269822,5.205355131312273,third
+275,13.94,93,2.317061704836207e+17,1.11,0.10436001532424286,155.2,Linear,None,0,0.5006037153766582,0.43565544843699594,4.98,3.7852334915953767,3.573767422946888,3.525466030883449,3.51378052584734,3.5109292999651256,3.5102278214831095,3.5100558050457575,3.510013622567832,3.5100033207426584,3.5100010299122975,1.47,0.275233491595376,0.0637674229468868,0.01546603088344814,0.0037805258473392767,0.0009292999651252546,0.00022782148310898675,5.580504575724753e-05,1.3622567831290793e-05,3.320742657940738e-06,1.0299122969705418e-06,3.84,5.034766508404624,5.246232577053113,5.294533969116552,5.306219474152661,5.309070700034875,5.309772178516892,5.309944194954244,5.309986377432169,5.309996679257343,5.309998970087704,second
+280,11.06,97,3.072276423174058e+17,3.05,1.1151415906193203,49.8,Linear,Enzyme,0,0.24616993559188957,0.15146773247971015,6.87,5.641921838996168,4.633411168220682,3.8033409362587696,3.1211918296421115,2.5633145995038134,2.1075403993100315,1.733177614298067,1.4234251773033282,1.1689808988115007,0.9600574721546992,1.25,1.25,1.25,1.25,1.25,1.25,1.25,1.25,1.25,1.25,1.25,3.9,3.9,3.9,3.9,3.9,3.9,3.9,3.9,3.9,3.9,3.9,first
+280,3.79,97,3.387949801092292e+17,3.16,1.1505720275988207,58.5,Unknown,Acid,1,0.2714636541271254,0.23291071827908372,3.16,1.1897600034464972,1.1462156652109228,1.1435732905411484,1.143177550632473,1.1420382259629889,1.1456057787450205,1.1441050990175534,1.1435051714222635,1.14290684362813,1.1436543687717187,1.89,1.89,1.89,1.89,1.89,1.89,1.89,1.89,1.89,1.89,1.89,1.07,1.7267466655178343,1.7412614449296924,1.7421422364862837,1.7422741497891756,1.7426539246790036,1.7414647404183263,1.7419649669941488,1.7421649428592456,1.74236438545729,1.7421152104094273,third
+270,12.93,98,4.413447814380262e+16,3.3,1.1939224684724346,95.1,Unknown,Enzyme,0,0.004840091111243732,0.0036366212170893157,4.75,4.731643216114655,4.713357373600778,4.695142198300333,4.676997417112605,4.658922757989131,4.640917949941036,4.622982723028538,4.605116808348239,4.587319938033118,4.56959184525253,2.26,2.26,2.26,2.26,2.26,2.26,2.26,2.26,2.26,2.26,2.26,3.63,3.648356783885345,3.6666426263992227,3.684857801699667,3.7030025828873954,3.7210772420108693,3.739082050058964,3.757017276971462,3.774883191651761,3.792680061966882,3.8104081547474697,first
+277,3.43,94,2.8781121130350883e+17,4.36,1.472472057360943,26.9,Linear,Base,0,0.5402975357673562,0.40669454857268933,9.19,1.457544770203885,1.18534977626309,1.0779023179921294,1.0220663146874032,0.9895838462089709,0.9694203409015303,0.9564244754385731,0.9478704637983186,0.9421655973967211,0.9383030906431107,4.13,0.26377238510194256,0.12767488813154498,0.07395115899606464,0.04603315734370145,0.029791923104485266,0.019710170450764987,0.013212237719286382,0.00893523189915919,0.006082798698360361,0.004151545321555177,4.22,8.086227614898057,8.222325111868455,8.276048841003936,8.3039668426563,8.320208076895515,8.330289829549235,8.336787762280714,8.341064768100843,8.34391720130164,8.345848454678446,third
+276,11.76,97,3.7347298331687386e+17,0.55,-0.5978370007556204,24.9,Unknown,Base,0,0.16359490743885313,0.1449448053265019,6.59,1.557682082823832,1.0488856045280137,0.8187266220811265,0.6818952478669419,0.5896666803573031,0.5220403857742741,0.46978922361723624,0.4285362847271731,0.39472131957787293,0.3661585401384056,3.86,1.3438410414119164,1.0894428022640072,0.9743633110405636,0.9059476239334714,0.859833340178652,0.8260201928871375,0.7998946118086185,0.7792681423635869,0.7623606597889369,0.7480792700692032,0.91,3.426158958588084,3.680557197735993,3.795636688959437,3.864052376066529,3.9101666598213485,3.943979807112863,3.970105388191382,3.9907318576364132,4.007639340211063,4.021920729930797,third
+271,13.39,93,2.7949928592630218e+17,4.61,1.5282278570085572,182.6,Unknown,None,1,0.33127801692413805,0.22527485135056066,1.76,1.6612260521435613,1.598205264550217,1.5575057092431555,1.5314103056190322,1.5153690857496755,1.504636848797883,1.49755393093943,1.493370176883283,1.4907768608674346,1.488880361709946,1.24,1.24,1.24,1.24,1.24,1.24,1.24,1.24,1.24,1.24,1.24,1.91,2.0087739478564384,2.071794735449783,2.1124942907568443,2.1385896943809675,2.154630914250324,2.1653631512021168,2.1724460690605696,2.1766298231167167,2.1792231391325654,2.1811196382900535,first
+274,12.32,94,2.2825940719433056e+17,4.63,1.5325568680981427,162.6,Unknown,None,0,0.2740744017992904,0.17173090829776702,5.2,4.1761753893997104,3.353884172713497,2.6919941528293827,2.161175433068926,1.736836697998005,1.3965241129089652,1.121484028672647,0.9004881524595121,0.7233936632437282,0.5812013074833532,0.14,0.14,0.14,0.14,0.14,0.14,0.14,0.14,0.14,0.14,0.14,4.4,5.42382461060029,6.246115827286503,6.908005847170617,7.438824566931074,7.863163302001995,8.203475887091034,8.478515971327353,8.699511847540487,8.876606336756272,9.018798692516645,first
+275,7.38,95,3.805438841784979e+17,4.42,1.4861396960896067,69.1,Linear,None,0,0.34281451684112424,0.1973086190255944,2.21,1.9357483865271006,1.661496773054201,1.3872451595813016,1.1129935461084024,0.8387419326355028,0.5644903191626032,0.29023870568970334,0.015987092216804166,-0.2582645212560959,-0.5325161347289953,1.66,1.66,1.66,1.66,1.66,1.66,1.66,1.66,1.66,1.66,1.66,3.32,3.594251613472899,3.8685032269457986,4.142754840418698,4.417006453891598,4.6912580673644975,4.965509680837396,5.239761294310297,5.514012907783195,5.788264521256096,6.062516134728995,zero
+280,8.99,99,1.9525649175794125e+17,1.94,0.6626879730752367,163.0,Ring,Enzyme,1,0.06626163669224114,0.045444514448035926,2.32,1.6541677432030495,1.4974418977700403,1.4467469515114295,1.429199057714974,1.4221959531430655,1.420017112732769,1.4187746878406071,1.4188909782996755,1.418558818957506,1.4184571095504594,4.75,4.75,4.75,4.75,4.75,4.75,4.75,4.75,4.75,4.75,4.75,3.86,4.081944085598983,4.134186034076653,4.15108434949619,4.156933647428342,4.159268015618978,4.159994295755744,4.160408437386464,4.160369673900108,4.160480393680832,4.160514296816514,third
+274,7.86,99,2.3960294706045568e+17,2.98,1.091923300517313,37.1,Branched,Enzyme,0,0.03204133905047865,0.025905788986184664,3.19,3.109269605508209,3.03058228370915,2.9538863293312483,2.8791312799244815,2.806268045239952,2.7352488429948174,2.6660270234330197,2.598557069004923,2.5327945943673145,2.468696346383404,3.27,3.27,3.27,3.27,3.27,3.27,3.27,3.27,3.27,3.27,3.27,1.57,1.57,1.57,1.57,1.57,1.57,1.57,1.57,1.57,1.57,1.57,first
+276,10.7,99,2.2431734964907683e+17,3.71,1.3110318766193438,44.3,Ring,Base,1,0.0411005751873759,0.034631781130816955,6.97,6.880697531343444,6.796644953591736,6.717533650269982,6.64307095346556,6.572983873203249,6.507018808469384,6.444934561359545,6.386502273464477,6.331505425870098,6.279739839157493,0.64,0.64,0.64,0.64,0.64,0.64,0.64,0.64,0.64,0.64,0.64,4.95,5.0393024686565555,5.123355046408264,5.202466349730018,5.27692904653444,5.347016126796751,5.412981191530616,5.475065438640455,5.533497726535523,5.588494574129902,5.640260160842507,first
+272,8.65,98,2.2148168031648512e+17,1.33,0.28517894223366247,133.8,Branched,None,0,0.03348301521642678,0.01836844860117592,2.65,2.320523937455454,2.0640057645906635,1.857768738767233,1.6890121673618346,1.550027740872407,1.4336350895035177,1.3331372472334246,1.244299874315236,1.1665425200341215,1.0979295734980674,4.6,4.6,4.6,4.6,4.6,4.6,4.6,4.6,4.6,4.6,4.6,4.14,4.304738031272273,4.432997117704668,4.536115630616383,4.620493916319082,4.689986129563796,4.748182455248241,4.798431376383287,4.842850062842381,4.881728739982939,4.916035213250966,second
+270,6.1,92,3.68876451879783e+17,4.26,1.449269160281279,196.6,Unknown,Enzyme,0,0.5858253689000882,0.5211555333659089,9.46,0.9614168972651256,0.5068437997468191,0.34404312201497717,0.260202972397224,0.20952554849422142,0.175084452674823,0.15062964738058598,0.13201768782593837,0.11748948521804932,0.10584885695282273,2.92,2.92,2.92,2.92,2.92,2.92,2.92,2.92,2.92,2.92,2.92,0.93,5.179291551367438,5.406578100126591,5.487978438992513,5.529898513801389,5.555237225752891,5.57245777366259,5.5846851763097085,5.593991156087032,5.601255257390977,5.60707557152359,second
+275,11.35,99,8.839816379720195e+16,4.15,1.423108334242607,23.5,Ring,Acid,1,0.013845022910625495,0.008877571046318656,5.09,3.1417628919551692,2.504348772222745,2.176960606833867,1.9740880769189066,1.839186642795984,1.742170073390838,1.6721574754125748,1.6197858637535454,1.5789421527850582,1.5473349991618182,3.97,3.97,3.97,3.97,3.97,3.97,3.97,3.97,3.97,3.97,3.97,3.29,3.939412369348277,4.151883742592419,4.261013131055378,4.328637307693699,4.373604452401339,4.405943308869721,4.429280841529142,4.4467380454154855,4.460352615738315,4.470888333612728,third
+274,3.17,99,3.509844634669755e+17,4.81,1.5706970841176697,58.3,Branched,Acid,0,0.04693603452447581,0.035037577005663664,1.11,0.9819543575211177,0.8725534644095551,0.7781143358152394,0.6960044900231573,0.6245691735884331,0.5622676542627152,0.5076582950199507,0.45939855405638713,0.4162449847905706,0.3773222987900299,3.33,3.201954357521118,3.092553464409555,2.9981143358152393,2.9160044900231576,2.8445691735884333,2.782267654262715,2.727658295019951,2.6793985540563874,2.636244984790571,2.5973222987900297,3.45,3.5780456424788825,3.6874465355904453,3.781885664184761,3.8639955099768426,3.935430826411567,3.997732345737285,4.05234170498005,4.100601445943613,4.14375501520943,4.18267770120997,second
+279,2.75,100,5.442344546607977e+16,3.13,1.1410330045520618,197.4,Unknown,Acid,1,0.010304256310688594,0.007998197522995945,9.45,9.464290562981887,9.477416286741636,9.489473122249551,9.500545073366968,9.510706965105916,9.520029877316205,9.528581144685432,9.536424356738989,9.543619357840049,9.550222247189573,0.06,0.0742905629818874,0.08741628674163798,0.09947312224955109,0.11054507336696909,0.12070696510591625,0.13002987731620444,0.1385811446854332,0.1464243567389898,0.15361935784004913,0.1602222471895737,3.06,3.0457094370181124,3.032583713258362,3.020526877750449,3.009454926633031,2.999293034894084,2.9899701226837956,2.981418855314567,2.97357564326101,2.966380642159951,2.9597777528104263,second
+271,8.29,90,6.822532248308349e+16,2.04,0.712949807856125,121.9,Linear,Base,1,0.3062116036992464,0.19411688628393153,3.47,1.374791012451576,1.320240483643367,1.3166996999928313,1.316334081321913,1.3174376054924257,1.3168633367015452,1.3154209309504794,1.3155722555669154,1.3171595100339442,1.3177040758125236,2.82,1.7723955062257872,1.745120241821683,1.743349849996415,1.7431670406609558,1.743718802746212,1.743431668350772,1.742710465475239,1.742786127783457,1.7435797550169714,1.743852037906261,3.69,4.737604493774213,4.764879758178317,4.766650150003585,4.766832959339045,4.766281197253788,4.766568331649228,4.767289534524761,4.767213872216543,4.766420244983029,4.766147962093739,third
+279,11.45,95,3.3824239286453664e+17,4.41,1.4838746894587547,140.3,Unknown,None,0,0.5528370324440627,0.35632143800389604,8.67,0.6138662523744848,0.43438615647563283,0.3549933524696584,0.3072959250962057,0.2750731164903833,0.25094679021112665,0.23239822353419698,0.21752190300666277,0.2050392060223997,0.19447811883474123,4.53,4.53,4.53,4.53,4.53,4.53,4.53,4.53,4.53,4.53,4.53,2.43,5.115377915875172,5.1752046145081225,5.2016688825101145,5.217568024967932,5.228308961169873,5.236351069929626,5.242533925488602,5.24749269899778,5.251653597992535,5.25517396038842,third
+278,4.37,93,4.890692292348669e+17,1.37,0.3148107398400336,199.1,Ring,Acid,0,1.638932588905996,0.9749312096865058,8.65,0.3664667128861495,0.18715241398285526,0.12568198890060678,0.09468260680639155,0.07587098364816927,0.06335355096820293,0.05431549907001852,0.04760578998825617,0.04234338774669704,0.03811167538065376,4.08,4.08,4.08,4.08,4.08,4.08,4.08,4.08,4.08,4.08,4.08,0.47,4.611766643556925,4.701423793008572,4.732159005549697,4.747658696596805,4.757064508175915,4.763323224515898,4.76784225046499,4.7711971050058715,4.773828306126651,4.775944162309673,second
+278,3.46,96,3.226332873295872e+17,1.26,0.23111172096338664,170.3,Linear,Base,0,0.29525441527138546,0.241938516245223,9.83,7.7619553867728825,6.128229301545964,4.836900860153845,3.8201397538504644,3.018845494930287,2.3832217727642346,1.880883599355353,1.485806363246533,1.1744899047578616,0.9274824242012387,4.56,4.56,4.56,4.56,4.56,4.56,4.56,4.56,4.56,4.56,4.56,2.6,4.668044613227119,6.301770698454037,7.593099139846155,8.609860246149536,9.411154505069714,10.046778227235766,10.549116400644648,10.944193636753468,11.25551009524214,11.502517575798763,first
+273,7.94,90,2.8851283783350824e+16,1.45,0.371563556432483,169.2,Ring,Enzyme,0,0.1735130753746092,0.15110773637836922,3.67,3.5311895397003124,3.392379079400625,3.2535686191009376,3.1147581588012505,2.975947698501563,2.8371372382018754,2.6983267779021882,2.5595163176025006,2.420705857302814,2.2818953970031264,4.63,4.63,4.63,4.63,4.63,4.63,4.63,4.63,4.63,4.63,4.63,0.97,1.1088104602996873,1.2476209205993747,1.386431380899062,1.5252418411987494,1.6640523014984367,1.8028627617981243,1.9416732220978115,2.080483682397499,2.2192941426971857,2.3581046029968733,zero
+270,12.67,98,2.711543702085481e+17,1.11,0.10436001532424286,184.0,Ring,Enzyme,0,0.02973665742110004,0.018843413372399583,9.9,9.667264953358316,9.440001181042973,9.218079882863847,9.0013754416213,8.789765541600955,8.583130537601788,8.381353445913282,8.184319944315432,7.991918372078736,7.804039729964209,2.15,2.15,2.15,2.15,2.15,2.15,2.15,2.15,2.15,2.15,2.15,1.64,1.8727350466416848,2.099998818957027,2.3219201171361528,2.5386245583787,2.750234458399045,2.9568694623982124,3.158646554086718,3.3556800556845694,3.548081627921264,3.7359602700357923,first
+280,5.53,93,4.5801146880157094e+17,1.63,0.4885800148186709,41.4,Unknown,Enzyme,0,2.0459130421749903,1.2939103076833274,3.9,3.17999945452264,3.180000456032448,3.1800000435590468,3.179999838503589,3.1799998533376987,3.18000004696962,3.1800004138696583,3.180001014339016,3.180001894238406,3.1800011237139785,0.36,-2.7273868030612043e-07,2.2801622382879861e-07,2.177952326078894e-08,-8.074820563008598e-08,-7.333115086295423e-08,2.3484810166929786e-08,2.0693482946168675e-07,5.07169508419403e-07,9.471192031787032e-07,5.618569895016015e-07,4.88,5.240000272738682,5.239999771983777,5.239999978220478,5.240000080748208,5.240000073331154,5.239999976515193,5.239999793065174,5.239999492830496,5.2399990528808,5.2399994381430135,third
+272,8.23,95,4.436767478595686e+17,3.14,1.144222799920162,28.6,Unknown,Enzyme,1,0.2527502419958021,0.14899884257249524,5.77,2.384601831154578,2.0591570543144657,2.0056518927899742,1.9963794450234087,1.9951379822252926,1.9944276752196972,1.9941300713677936,1.9936360957330581,1.9961889222537084,1.9947985120220713,0.41,0.41,0.41,0.41,0.41,0.41,0.41,0.41,0.41,0.41,0.41,4.86,6.55269908442271,6.715421472842767,6.742174053605012,6.746810277488295,6.747431008887353,6.747786162390151,6.747934964316102,6.7481819521334705,6.746905538873145,6.747600743988964,second
+271,10.56,98,3.6137060161556e+17,1.84,0.6097655716208943,31.4,Linear,Enzyme,0,0.046557663905597055,0.028352305938242024,1.73,1.33644835426489,1.1058282781232815,0.9469435035999233,0.8322412950094475,0.7435842327653677,0.6735576516154959,0.6169984505208104,0.569680589168684,0.529263722948171,0.49454379487500993,2.39,2.193224177132445,2.0779141390616407,1.9984717517999617,1.9411206475047238,1.896792116382684,1.861778825807748,1.8334992252604052,1.809840294584342,1.7896318614740856,1.772271897437505,3.01,3.206775822867555,3.3220858609383597,3.4015282482000386,3.4588793524952766,3.5032078836173164,3.5382211741922522,3.566500774739595,3.590159705415658,3.610368138525915,3.6277281025624952,third
+272,4.27,100,2.0353480332156604e+16,2.37,0.8628899551470398,78.3,Linear,Enzyme,1,0.0012706716054003142,0.0007091007504403984,8.96,8.80461519876648,8.654780559894867,8.510209663763527,8.370634531722107,8.235806900960357,8.105495364117601,7.979481561652458,7.857560173287295,7.739538918008235,7.625238554065149,0.33,0.33,0.33,0.33,0.33,0.33,0.33,0.33,0.33,0.33,0.33,4.37,4.44769240061676,4.522609720052567,4.594895168118237,4.664682734138947,4.732096549519822,4.7972523179412,4.860259219173772,4.921219913356353,4.980230540995883,5.037380722967426,second
+271,3.81,99,4.247016394442642e+17,0.86,-0.15082288973458366,174.2,Ring,Base,0,0.03510488777558541,0.03133913303382279,7.3,7.097839469910125,6.901277419366552,6.710158561548774,6.52433202590984,6.343651802301549,6.167975598344953,5.997164802936021,5.831084486245642,5.669603399719621,5.512593976078685,0.74,0.74,0.74,0.74,0.74,0.74,0.74,0.74,0.74,0.74,0.74,1.76,1.9621605300898748,2.1587225806334476,2.349841438451225,2.5356679740901593,2.7163481976984496,2.8920244016550454,3.0628351970639773,3.2289155137543575,3.3903966002803783,3.547406023921314,first
+279,6.97,93,4.659955238129664e+17,1.58,0.4574248470388755,134.8,Unknown,Base,0,1.8038740944843832,1.5779544658543336,4.65,0.33959129524386733,0.24058238067904175,0.1964798890116559,0.17010967027865206,0.1522441498163779,0.1389865927353569,0.12861805748680355,0.12035601362904481,0.11353502588846431,0.10769089120306904,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.06,3.4968029015853785,3.5298058731069872,3.5445067036627824,3.553296776573784,3.5592519500612085,3.5636711357548823,3.5671273141710667,3.56988132879032,3.572154991370513,3.5741030362656447,third
+274,12.89,98,2.6188220796854922e+17,1.47,0.3852624007906449,172.0,Ring,Base,0,0.05432112472620308,0.030544043945648653,2.66,2.546880360232908,2.43857126674493,2.334866511623048,2.235570987500484,2.140499036059876,2.0494717554273967,1.9623170001727566,1.878869381309203,1.7989702662935203,1.7224677790260285,0.9,0.9,0.9,0.9,0.9,0.9,0.9,0.9,0.9,0.9,0.9,0.49,0.6031196397670915,0.7114287332550696,0.8151334883769521,0.9144290124995157,1.0095009639401238,1.1005282445726032,1.1876829998272433,1.271130618690797,1.3510297337064796,1.4275322209739714,first
+277,1.8,100,4.9365417288444134e+17,1.7,0.5306282510621704,132.7,Linear,None,0,0.06846537356802385,0.05713865678784847,8.69,4.466288234051265,3.000588811210076,2.2621076248998704,1.8131138851533255,1.5145154068620301,1.2986252987834832,1.1382591539912645,1.0126623357557707,0.9115481531113088,0.8288082397680409,3.92,3.92,3.92,3.92,3.92,3.92,3.92,3.92,3.92,3.92,3.92,4.01,6.121855882974367,6.854705594394962,7.223946187550065,7.448443057423337,7.597742296568985,7.705687350608258,7.785870423004368,7.848668832122114,7.899225923444345,7.940595880115979,second
+273,1.19,92,2.9400370184270285e+17,4.36,1.472472057360943,70.5,Unknown,Base,1,0.732545638913137,0.5613930906425167,4.19,1.5217806228503241,1.5221953803908972,1.5232632499159822,1.5231019301527227,1.5217403171799149,1.520187135983685,1.5211613252235021,1.5234403270414048,1.5234697588931028,1.5221234533807957,4.27,4.27,4.27,4.27,4.27,4.27,4.27,4.27,4.27,4.27,4.27,3.71,4.599406459049891,4.599268206536366,4.598912250028006,4.598966023282426,4.599419894273361,4.59993762133877,4.599612891592165,4.598853224319531,4.598843413702298,4.5992921822063995,third
+280,3.49,91,4.420543243745913e+17,3.63,1.2892326482767593,68.2,Branched,Base,1,4.6623460866967825,3.0893153850359307,5.18,1.8580339743901824,1.8584373771558054,1.858789962999141,1.858242426854878,1.8567248556005287,1.8565379382467684,1.8553139611438354,1.8554002419285325,1.8552790344337542,1.856860485050734,3.72,3.72,3.72,3.72,3.72,3.72,3.72,3.72,3.72,3.72,3.72,3.54,5.200983012804907,5.200781311422095,5.200605018500428,5.2008787865725585,5.201637572199734,5.201731030876615,5.202343019428081,5.202299879035732,5.202360482783122,5.201569757474632,second
+277,3.16,90,5.419984656604839e+16,2.33,0.8458682675776092,165.4,Unknown,Acid,0,0.5778849840912923,0.32070027949344065,8.89,0.6005792673981794,0.4248774387865258,0.34721025048034604,0.3006062149374727,0.26903439385782785,0.2454484410033273,0.22734104071227254,0.2127586980300334,0.2005406322850863,0.19021194269959335,4.58,4.58,4.58,4.58,4.58,4.58,4.58,4.58,4.58,4.58,4.58,4.18,6.943140244200607,7.001707520404491,7.027596583173216,7.043131261687508,7.0536552020473895,7.061517186332223,7.067552986429241,7.0724137673233205,7.07648645590497,7.079929352433468,third
+272,4.77,96,3.716520731712945e+17,3.3,1.1939224684724346,153.4,Branched,None,0,0.13605528531049152,0.08385176323471974,8.57,6.023476409590144,5.035958924567577,4.544955179840222,4.269801300179756,4.105345901024559,4.003936247311831,3.939345309365015,3.898039410312414,3.871150145403241,3.8536079252642024,4.75,2.2034764095901433,1.215958924567576,0.724955179840221,0.4498013001797553,0.28534590102455826,0.1839362473118309,0.11934530936501442,0.07803941031241371,0.05115014540324065,0.03360792526420179,0.69,3.236523590409857,4.2240410754324245,4.715044820159779,4.990198699820245,5.154654098975442,5.25606375268817,5.320654690634986,5.361960589687587,5.38884985459676,5.406392074735799,second
+272,12.77,99,2.2915219293220582e+17,2.54,0.9321640810304452,63.4,Unknown,None,1,0.022262027486615682,0.017279707729606696,8.61,8.502058530394685,8.397478178191879,8.296154270758137,8.197985122605525,8.102872745869174,8.01072223140096,7.921441391674069,7.834940760782993,7.75113359444353,7.669935869992789,1.25,1.25,1.25,1.25,1.25,1.25,1.25,1.25,1.25,1.25,1.25,3.16,3.267941469605314,3.37252182180812,3.473845729241861,3.572014877394473,3.6671272541308246,3.7592777685990386,3.8485586083259298,3.935059239217006,4.0188664055564685,4.10006413000721,first
+280,10.38,98,1.9600712809443232e+17,2.47,0.9042181506398859,120.5,Branched,Enzyme,1,0.10220862972766843,0.06836199863369544,1.99,2.038297832013659,2.0804340599541065,2.1171947278531458,2.1493154692933047,2.177368047747677,2.2018107677945564,2.223077921800927,2.241579789922465,2.257702640103535,2.271808728077195,2.53,2.53,2.53,2.53,2.53,2.53,2.53,2.53,2.53,2.53,2.53,3.92,3.8717021679863413,3.8295659400458937,3.7928052721468544,3.7606845307066954,3.7326319522523232,3.7081892322054437,3.686922078199073,3.668420210077535,3.652297359896465,3.638191271922805,first
+279,13.92,90,2.3035665103994054e+17,3.22,1.169381359556317,191.5,Linear,None,0,3.25018673972808,2.917556147913885,3.04,0.22602796399735908,0.01685174227607972,0.0012539191243325569,9.358359855822389e-05,7.209726563755874e-06,4.7315915254177427e-07,-8.391202337555407e-08,2.989348278084998e-07,-4.656701905300105e-07,6.475777716304673e-07,4.72,4.72,4.72,4.72,4.72,4.72,4.72,4.72,4.72,4.72,4.72,4.87,7.683972036002642,7.893148257723921,7.908746080875668,7.9099064164014425,7.909992790273437,7.909999526840849,7.910000083912025,7.909999701065173,7.910000465670191,7.909999352422229,first
+274,5.77,96,1.845180373888891e+17,4.26,1.449269160281279,37.3,Ring,Acid,0,0.0920852563319374,0.04662512305227301,9.06,3.6320808645374716,3.0734205570949102,2.8588237602949094,2.754133711338458,2.697825411822405,2.6658271086195304,2.647290733156072,2.6363312134671872,2.6298088388912375,2.6259011734976827,3.22,0.5060404322687354,0.22671027854745485,0.11941188014745442,0.06706685566922854,0.03891270591120222,0.022913554309764956,0.013645366578035865,0.008165606733593303,0.004904419445618557,0.0029505867488412046,4.38,7.093959567731264,7.373289721452545,7.480588119852545,7.53293314433077,7.5610872940887965,7.577086445690234,7.586354633421962,7.591834393266405,7.59509558055438,7.597049413251157,third
+271,10.15,98,3.823381001890192e+16,2.02,0.7030975114131134,112.4,Branched,None,1,0.004925903957688843,0.004296900346779217,3.81,3.3057208450061286,2.969159906880141,2.722275735286525,2.5351854710138686,2.388143754369638,2.2665767109066053,2.1653770084025625,2.080437157469422,2.0081129014995875,1.9454373614346774,4.4,4.4,4.4,4.4,4.4,4.4,4.4,4.4,4.4,4.4,4.4,2.13,2.2980930516646234,2.4102800310399526,2.4925747549044917,2.5549381763287102,2.603952081876787,2.644474429697798,2.678207663865812,2.7065209475101923,2.7306290328334706,2.751520879521774,third
+272,3.48,98,3.056245044509645e+17,3.66,1.297463147413275,184.0,Linear,Acid,1,0.04620350504123778,0.03559338210595596,4.12,4.087251157593459,4.056576723632174,4.027845385210402,4.000933689283795,3.975725494297089,3.9521143547270863,3.9299998928564577,3.9092871760022634,3.8898867165159543,3.87171447178337,2.68,2.68,2.68,2.68,2.68,2.68,2.68,2.68,2.68,2.68,2.68,4.16,4.192748842406541,4.223423276367826,4.252154614789598,4.279066310716205,4.304274505702911,4.3278856452729135,4.350000107143543,4.370712823997737,4.3901132834840455,4.408285528216631,first
+273,4.52,97,1.91624056635129e+17,3.64,1.2919836816486494,111.8,Ring,Acid,0,0.05274957652800451,0.04468121944178102,4.15,1.7951365974958131,1.3332504868825725,1.1078834351675515,0.9677185261673668,0.870623552613178,0.7978677075670808,0.7402286645452973,0.6938980406057883,0.6556003978458529,0.6227503275898004,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.42,1.2049544675013957,1.358916504372476,1.4340388549441496,1.4807604912775445,1.513125482462274,1.537377430810973,1.5565904451515675,1.5720339864647372,1.5847998673847157,1.5957498908033998,third
+274,6.52,92,2.970691975790591e+17,4.94,1.5973653311998313,50.2,Ring,Acid,1,0.858194897581454,0.7579736541454927,6.26,5.518857143621773,5.518943340838362,5.518866047626376,5.518908332764351,5.518878506857156,5.51887165539944,5.518922634392621,5.518872821513536,5.5189138752172715,5.518896260827704,0.39,0.0194285718108871,0.019471670419181953,0.019433023813188906,0.019454166382175713,0.01943925342857867,0.01943582769972088,0.01946131719631082,0.01943641075676873,0.0194569376086362,0.019448130413852814,0.3,0.670571428189113,0.6705283295808182,0.6705669761868115,0.6705458336178248,0.670560746571422,0.6705641723002796,0.6705386828036898,0.6705635892432319,0.6705430623913644,0.6705518695861478,third
+280,10.41,94,6.921077040502567e+16,2.06,0.7227059828014898,165.3,Ring,None,1,0.2011988424918987,0.15815685840689758,8.45,2.9075529308120567,2.8084052177837546,2.8020655804587684,2.8015694490312018,2.8008506048123514,2.8007335755033926,2.8022943442161385,2.8023908836073064,2.8005137645483793,2.8018465811502002,3.53,0.7587764654060287,0.7092026088918777,0.7060327902293845,0.705784724515601,0.7054253024061758,0.7053667877516964,0.7061471721080693,0.7061954418036535,0.7052568822741897,0.7059232905751002,4.22,6.991223534593971,7.040797391108121,7.0439672097706145,7.044215275484397,7.0445746975938235,7.044633212248303,7.0438528278919295,7.043804558196346,7.044743117725809,7.044076709424899,third
+278,12.15,97,3.355105220851127e+17,1.68,0.5187937934151675,160.6,Branched,None,0,0.19920131347653988,0.17464553356391682,5.16,1.0056148244990053,0.7175028285528988,0.587786474798215,0.5101149567900791,0.45646985449306876,0.4169445446990884,0.38645028503833667,0.36151660187565915,0.34085304080627427,0.3233699504194052,0.7,0.7,0.7,0.7,0.7,0.7,0.7,0.7,0.7,0.7,0.7,3.81,5.194795058500332,5.290832390482367,5.334071175067262,5.359961681069974,5.3778433818356435,5.391018485100304,5.401183238320555,5.409494466041447,5.416382319731242,5.422210016526865,third
+272,9.86,99,4.057131506355859e+17,3.0,1.0986122886681098,59.3,Unknown,Base,0,0.039414841270155154,0.02538819765604993,3.57,1.9383557278892554,1.483655605438034,1.2466767510690708,1.0967868341396172,0.9897624609614804,0.9099656676951277,0.8463152379625137,0.7941921533667257,0.7507550701073443,0.7137244175813156,3.89,3.89,3.89,3.89,3.89,3.89,3.89,3.89,3.89,3.89,3.89,1.72,2.2638814240369145,2.4154481315206553,2.4944410829769765,2.5444043886201277,2.580079179679507,2.606678110768291,2.627894920679162,2.6452692822110917,2.6597483099642187,2.6720918608062285,third
+274,4.2,92,2.929328093651178e+17,2.83,1.0402767116551463,151.8,Branched,Acid,0,0.8462454013410174,0.6667798249391357,5.62,2.853295390942308,1.4516351636769478,0.738884875716066,0.37526291081048596,0.19080969009756882,0.0971395360056803,0.049359579327988505,0.025083666105086472,0.012770680749612785,0.0064920306508290705,1.43,1.43,1.43,1.43,1.43,1.43,1.43,1.43,1.43,1.43,1.43,2.16,2.16,2.16,2.16,2.16,2.16,2.16,2.16,2.16,2.16,2.16,first
+276,12.52,93,3.133230566464341e+17,2.14,0.7608058290337602,63.2,Branched,None,1,0.7844297458591508,0.687719996369211,8.65,7.701319674776484,7.701272171206492,7.701261660016605,7.701293715645673,7.701301509186497,7.7013086062839555,7.701257073713555,7.701303790324817,7.701260443897504,7.701351032690752,0.5,0.025659837388240885,0.025636085603244242,0.02563083000830104,0.025646857822835822,0.025650754593248188,0.025654303141977742,0.02562853685677844,0.02565189516240884,0.025630221948752044,0.02567551634537622,1.26,1.7343401626117592,1.734363914396756,1.7343691699916992,1.7343531421771645,1.734349245406752,1.7343456968580224,1.7343714631432217,1.734348104837591,1.734369778051248,1.7343244836546239,third
+275,13.38,98,4.5110796767345594e+17,2.08,0.7323678937132266,87.9,Unknown,Enzyme,0,0.10941627825645388,0.06947941694263994,3.84,2.6683621506132766,2.0060075580683487,1.5783260227422506,1.2803256200974606,1.062297952666758,0.8970463202336545,0.7661497490411477,0.6612749839434882,0.5760028713989347,0.5050745709080714,4.81,3.6383621506132764,2.9760075580683485,2.54832602274225,2.25032562009746,2.0322979526667573,1.867046320233654,1.7361497490411473,1.6312749839434877,1.5460028713989342,1.4750745709080708,3.21,4.381637849386723,5.0439924419316515,5.471673977257749,5.76967437990254,5.987702047333242,6.1529536797663456,6.283850250958852,6.388725016056512,6.473997128601065,6.544925429091928,second
+275,8.93,92,4.988130910488525e+17,0.59,-0.527632742082372,83.7,Linear,Enzyme,1,1.6689576536929804,1.344300061225068,2.17,1.0075275900097822,1.007230162219911,1.006606152939261,1.0071673697168817,1.0070696829004162,1.0064110930221366,1.0063697677904506,1.006780134212982,1.0065533512812996,1.0072458152865689,4.75,4.75,4.75,4.75,4.75,4.75,4.75,4.75,4.75,4.75,4.75,0.88,1.2674908033300725,1.2675899459266962,1.267797949020246,1.267610876761039,1.267643439033194,1.2678629689926209,1.267876744069849,1.2677399552623385,1.2678155495728989,1.2675847282378094,third
+278,11.45,90,1.454313997444121e+17,3.42,1.2296405510745139,191.1,Ring,None,1,1.784647549608896,1.1085682168313877,3.28,1.1038953125006947,1.1021040110313092,1.1029239809235993,1.1033178093712235,1.1042397251874234,1.1031535959247918,1.1036329425761113,1.1025888608676113,1.1020087214694947,1.1033177469275217,2.91,2.91,2.91,2.91,2.91,2.91,2.91,2.91,2.91,2.91,2.91,0.87,1.9580523437496524,1.958947994484345,1.9585380095382,1.9583410953143878,1.957880137406288,1.9584232020376038,1.958183528711944,1.9587055695661941,1.9589956392652526,1.9583411265362392,second
+280,11.63,99,2.910020719195591e+17,0.7,-0.35667494393873245,137.6,Unknown,Acid,0,0.09875355944696279,0.057562964742616345,9.45,3.802984500884266,2.3788309015359377,1.731262535080167,1.359223371542853,1.1208123237593237,0.9518048897296163,0.8281973792593593,0.7329843526354524,0.6569039702345746,0.5951443076108308,1.98,1.98,1.98,1.98,1.98,1.98,1.98,1.98,1.98,1.98,1.98,4.32,7.143507749557867,7.855584549232031,8.179368732459917,8.365388314228573,8.484593838120338,8.56909755513519,8.630901310370318,8.67850782368227,8.71654801488271,8.747427846194583,second
+271,3.79,98,2.114895596279248e+17,1.55,0.4382549309311553,172.7,Ring,Acid,1,0.02724753976300124,0.02369371006928991,3.56,2.879559087216901,2.5090595124252957,2.268070407070054,2.101013189549706,1.9795509895831702,1.8891907615622991,1.8188449275664422,1.7634965284381954,1.7197282703196444,1.6845966387417155,1.83,1.4897795436084504,1.3045297562126479,1.1840352035350272,1.1005065947748531,1.0397754947915852,0.9945953807811496,0.9594224637832212,0.9317482642190977,0.9098641351598222,0.8922983193708578,1.14,1.4802204563915495,1.665470243787352,1.785964796464973,1.8694934052251468,1.9302245052084148,1.9754046192188504,2.0105775362167786,2.0382517357809022,2.060135864840178,2.077701680629142,third
+279,9.96,96,2.3326735825021373e+17,2.48,0.9082585601768908,169.9,Unknown,Enzyme,0,0.24773956247711215,0.17172710294638177,9.63,6.594555321594048,5.989409180979616,5.817775313598165,5.764718426660933,5.747908101624787,5.742536655718281,5.740814605024808,5.740261732843554,5.740084156477136,5.7400270480329585,3.89,0.8545553215940472,0.24940918097961584,0.07777531359816402,0.024718426660931544,0.007908101624785616,0.0025366557182797626,0.0008146050248066497,0.0002617328435522519,8.415647713427556e-05,2.704803295706674e-05,0.41,3.4454446784059525,4.050590819020384,4.222224686401836,4.275281573339068,4.292091898375214,4.29746334428172,4.299185394975193,4.299738267156447,4.299915843522865,4.299972951967042,second
+275,9.87,90,4.8713720165259834e+17,3.74,1.3190856114264407,67.9,Linear,Acid,1,3.9089560109849484,2.362603172942996,8.47,4.7195339819847675,4.719103583824478,4.719632718737938,4.719489503262583,4.719199507856013,4.719579402238618,4.719269742264451,4.719288064851347,4.719561993207167,4.719370279301935,1.99,0.11476699099238331,0.11455179191223865,0.11481635936896689,0.11474475163128896,0.11459975392800424,0.11478970111930639,0.11463487113222248,0.11464403242566977,0.11478099660358065,0.11468513965096575,2.35,4.225233009007619,4.225448208087764,4.225183640631037,4.225255248368716,4.225400246072,4.2252102988806985,4.225365128867782,4.225355967574334,4.225219003396424,4.22531486034904,third
+280,9.66,91,3.406322539575903e+16,3.4,1.2237754316221157,25.7,Ring,Base,0,0.3592647710185279,0.22402201911957312,7.28,4.289315979057871,3.720586240642121,3.5458818148477436,3.4850068815783457,3.4629187699829114,3.4547865475339963,3.45177621372157,3.450659633345116,3.4502451638030545,3.4500910543822214,3.83,0.8393159790578703,0.2705862406421198,0.0958818148477426,0.035006881578345056,0.012918769982910534,0.004786547533995457,0.0017762137215690502,0.0006596333451150681,0.00024516380305351546,9.105438222048974e-05,3.18,6.170684020942129,6.7394137593578805,6.914118185152258,6.974993118421655,6.9970812300170895,7.005213452466005,7.008223786278431,7.009340366654885,7.009754836196946,7.00990894561778,second
+274,12.66,90,2.073759066999887e+17,2.03,0.7080357930536959,81.3,Linear,Acid,0,1.4413688029768363,1.08201613463465,7.16,2.260312358482661,0.7134032970350614,0.22538434023593196,0.07126873436008666,0.02254305428890263,0.007123663364620897,0.0022497582615733673,0.0007105549639770236,0.00022445258981269387,7.119336161620727e-05,0.97,0.97,0.97,0.97,0.97,0.97,0.97,0.97,0.97,0.97,0.97,0.1,4.9996876415173395,6.546596702964939,7.034615659764069,7.188731265639913,7.237456945711098,7.252876336635379,7.257750241738426,7.259289445036022,7.259775547410186,7.259928806638383,first
+274,7.15,95,1.7900233060140864e+17,3.66,1.297463147413275,148.5,Unknown,None,1,0.13856521430951266,0.11808938666383967,5.03,2.8608820267733255,2.356949402891347,2.1984957179941995,2.14414288162867,2.125748739724463,2.118423604548024,2.1163870745364486,2.115009992703134,2.115371256006559,2.115006979949105,1.62,1.62,1.62,1.62,1.62,1.62,1.62,1.62,1.62,1.62,1.62,3.79,4.874558986613338,5.126525298554327,5.205752141002901,5.232928559185666,5.242125630137769,5.2457881977259895,5.246806462731777,5.247495003648433,5.247314371996722,5.2474965100254485,second
+277,5.29,96,2.10085076937829e+17,1.31,0.2700271372130602,63.6,Linear,None,0,0.16548607175037838,0.11728356846950846,9.33,1.1162721456679234,0.791977826460749,0.647390461912656,0.561425803600061,0.5019489369619364,0.45846114447884484,0.42470200887686277,0.39718626419261965,0.37443979285084034,0.3551977099625504,1.92,1.92,1.92,1.92,1.92,1.92,1.92,1.92,1.92,1.92,1.92,1.22,3.9579092847773585,4.066007391179751,4.114203179362448,4.142858065466647,4.162683687679355,4.177179618507052,4.1884326637077125,4.19760457860246,4.205186735716387,4.211600763345817,third
+279,3.92,97,4.47971897986676e+17,3.81,1.3376291891386096,62.8,Ring,Base,0,0.3091465984494927,0.18134181568833296,9.07,8.822682721240406,8.575365442480813,8.328048163721217,8.080730884961623,7.833413606202029,7.586096327442435,7.338779048682841,7.091461769923246,6.844144491163652,6.596827212404058,3.3,3.3,3.3,3.3,3.3,3.3,3.3,3.3,3.3,3.3,3.3,3.64,3.8873172787595944,4.134634557519188,4.381951836278783,4.629269115038377,4.876586393797972,5.1239036725575655,5.37122095131716,5.618538230076755,5.865855508836349,6.113172787595943,zero
+272,7.67,93,2.910984925777879e+17,1.55,0.4382549309311553,103.4,Unknown,None,0,0.4015660371802117,0.27295711268223005,9.74,8.320001367799446,8.320001217770804,8.319998733673348,8.320000957749597,8.320001707569698,8.319999384268073,8.319999406759617,8.320002680804986,8.320001482078734,8.32000037681543,0.71,6.838997225767312e-07,6.088854018595509e-07,-6.331633264191539e-07,4.788747992698519e-07,8.537848485301995e-07,-3.07865963140906e-07,-2.96620190609287e-07,1.340402493113035e-06,7.410393684431328e-07,1.8840771649463485e-07,4.71,5.419999316100277,5.419999391114598,5.420000633163326,5.4199995211252014,5.419999146215151,5.420000307865964,5.4200002966201914,5.419998659597507,5.419999258960633,5.419999811592285,third
+278,11.86,99,4.0255299023313274e+17,3.96,1.3762440252663892,125.4,Linear,None,0,0.10060203376524714,0.058653374178204695,1.41,0.7276064812050752,0.4967608453768988,0.37950163525346886,0.3073824216521923,0.2588491586359746,0.22344509622294226,0.1969282696089833,0.17602544923073227,0.15908415795866715,0.1451456129004124,4.38,4.038803240602538,3.9233804226884494,3.8647508176267347,3.828691210826096,3.8044245793179874,3.786722548111471,3.7734641348044917,3.763012724615366,3.7545420789793336,3.747572806450206,1.72,2.0611967593974625,2.1766195773115506,2.2352491823732654,2.271308789173904,2.2955754206820127,2.313277451888529,2.3265358651955084,2.336987275384634,2.3454579210206665,2.352427193549794,third
+279,3.65,100,2.0033531228057594e+17,3.46,1.2412685890696329,151.2,Ring,Base,0,0.03793046155277885,0.026279820942445114,8.15,4.389028012700547,3.550770208984954,3.145204844136109,2.901661283291164,2.7365773341964004,2.6189208732969345,2.529926115074252,2.4611366490140703,2.407021298830479,2.363248215663126,3.01,1.1295140063502733,0.7103851044924767,0.507602422068054,0.38583064164558134,0.30328866709819957,0.2444604366484666,0.19996305753712537,0.16556832450703438,0.1385106494152387,0.11662410783156217,3.14,5.020485993649727,5.439614895507524,5.642397577931947,5.76416935835442,5.846711332901801,5.905539563351534,5.950036942462876,5.984431675492966,6.011489350584762,6.033375892168439,third
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+280,13.56,100,1.1866652525593365e+17,4.8,1.5686159179138452,121.2,Ring,Base,0,0.026207517186936816,0.019444032918739175,1.39,1.313444540033147,1.244883002085624,1.1831129582427207,1.1271356631332254,1.0762332395560457,1.0297828601200822,0.9872274343231168,0.9480756085518104,0.911901766081705,0.8783460270772229,2.76,2.76,2.76,2.76,2.76,2.76,2.76,2.76,2.76,2.76,2.76,2.4,2.438277729983427,2.472558498957188,2.5034435208786396,2.5314321684333874,2.556883380221977,2.580108569939959,2.6013862828384418,2.6209621957240947,2.6390491169591472,2.6558269864613884,second
+270,1.46,90,3.1984585959001715e+17,2.36,0.8586616190375187,40.3,Ring,None,0,1.2381270438427918,0.9191674018271897,5.09,1.8917316830152875,0.7032930695101938,0.26146994679352886,0.09720960037688409,0.03614030862641932,0.013436068898996659,0.004995297228838986,0.0018572961643695753,0.0006906959401946005,0.00025681792404728195,3.69,3.69,3.69,3.69,3.69,3.69,3.69,3.69,3.69,3.69,3.69,4.67,7.868268316984713,9.056706930489804,9.49853005320647,9.662790399623114,9.72385969137358,9.746563931101004,9.755004702771162,9.758142703835631,9.759309304059807,9.759743182075953,first
+275,6.94,96,2.7228905151034182e+17,4.91,1.5912739418064292,130.3,Ring,None,1,0.15839214165188442,0.10217339174302667,5.31,4.876766989563567,4.525066745553652,4.238715412057112,4.006159578656194,3.8183976061796168,3.6669227586443567,3.543723203255655,3.4428217540801214,3.36093006562846,3.2944645230538305,1.43,1.43,1.43,1.43,1.43,1.43,1.43,1.43,1.43,1.43,1.43,2.36,2.7932330104364316,3.1449332544463466,3.431284587942887,3.6638404213438047,3.8516023938203823,4.003077241355642,4.126276796744344,4.227178245919878,4.309069934371539,4.375535476946168,first
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+280,11.9,93,3.907637797771902e+17,4.8,1.5686159179138452,175.8,Unknown,Base,0,1.7455211668555644,1.0799093322796034,2.54,1.1435830665155478,-0.2528338669689034,-1.6492508004533557,-3.0456677339378078,-4.44208466742226,-5.838501600906712,-7.234918534391165,-8.63133546787562,-10.027752401360072,-11.424169334844525,2.21,2.21,2.21,2.21,2.21,2.21,2.21,2.21,2.21,2.21,2.21,4.84,6.236416933484453,7.6328338669689035,9.029250800453356,10.425667733937807,11.82208466742226,13.218501600906713,14.614918534391165,16.011335467875618,17.40775240136007,18.804169334844524,zero
+279,5.82,99,2.4218645403430205e+17,2.5,0.9162907318741551,141.3,Branched,Base,1,0.07056805741213344,0.062041061618217236,8.96,8.293048838034863,7.9275495927838,7.717221456855305,7.592915482793567,7.518999818969458,7.474119278912431,7.4470339652221424,7.430618194158724,7.42047971678249,7.414390695684547,2.0,1.3330488380348626,0.9675495927837989,0.757221456855304,0.6329154827935662,0.5589998189694565,0.5141192789124303,0.4870339652221416,0.4706181941587229,0.46047971678248845,0.4543906956845464,2.19,2.8569511619651373,3.2224504072162006,3.4327785431446958,3.5570845172064334,3.631000181030543,3.675880721087569,3.702966034777858,3.7193818058412766,3.7295202832175107,3.735609304315453,second
+272,7.52,90,3.921546913293569e+17,1.94,0.6626879730752367,157.2,Branched,Enzyme,1,2.03850881533227,1.1073627941250281,6.57,1.0503659451979637,1.050714641703228,1.0506297321727853,1.0503022092378291,1.049974611568543,1.0496210324153346,1.049274106752235,1.0491378059371808,1.04946934360052,1.0501286124414126,3.21,3.21,3.21,3.21,3.21,3.21,3.21,3.21,3.21,3.21,3.21,0.29,2.1298780182673447,2.129761786098923,2.129790089275737,2.129899263587389,2.130008462810484,2.1301263225282194,2.130241964415919,2.1302873980209376,2.1301768854664913,2.129957129186194,third
+272,3.06,96,8.86605904744232e+16,3.79,1.332366019094335,70.4,Branched,None,0,0.03245708231858718,0.0182083710646653,7.89,7.68776780149898,7.4907191133440625,7.298721073068633,7.111644047504902,6.929361984868785,6.751752232147075,6.578695077755383,6.410073750922683,6.245774421691309,6.085686200916958,3.55,3.55,3.55,3.55,3.55,3.55,3.55,3.55,3.55,3.55,3.55,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,first
+280,10.72,98,3.482806025890455e+17,4.8,1.5686159179138452,87.7,Ring,Acid,1,0.1816121867476316,0.1290265773133331,2.44,1.2027623552719222,1.0963710077597728,1.0771282538210425,1.073255074225411,1.0727252326730352,1.0723651550054727,1.072349503636182,1.0717945367137676,1.0733544645208004,1.0726269306910363,0.89,0.89,0.89,0.89,0.89,0.89,0.89,0.89,0.89,0.89,0.89,1.28,1.6924125482426926,1.7278763307467424,1.7342905820596526,1.735581641924863,1.735758255775655,1.7358782816648426,1.7358834987879392,1.7360684877620776,1.7355485118263998,1.7357910231029878,third
+277,10.91,96,2.225716049170685e+17,0.8,-0.2231435513142097,169.4,Ring,None,1,0.17532183207759588,0.1323874578435558,9.59,2.8779370881878505,2.0641557190619464,1.8450395515770626,1.7759619259706876,1.7533366706146638,1.7449299323345466,1.742721586192039,1.7413643109229708,1.7416144755739753,1.7412719086830855,1.78,1.78,1.78,1.78,1.78,1.78,1.78,1.78,1.78,1.78,1.78,0.09,3.446031455906075,3.8529221404690275,3.9624802242114696,3.997019037014657,4.008331664692669,4.0125350338327275,4.0136392069039815,4.014317844538516,4.014192762213013,4.014364045658459,second
+272,7.11,90,3.226698694544793e+17,3.39,1.220829921392359,71.7,Linear,Enzyme,1,1.6773109894346125,0.9751587765472647,4.15,1.1588362552451688,1.1593554126234695,1.1598055596145829,1.1601114904492382,1.1601020726185451,1.1597349846835705,1.1591360058749358,1.158470336135951,1.1580140463030504,1.1591515716591816,0.37,0.37,0.37,0.37,0.37,0.37,0.37,0.37,0.37,0.37,0.37,1.68,2.677054581584944,2.6768815291255104,2.676731480128473,2.676629503183588,2.676632642460485,2.6767550051054765,2.676954664708355,2.67717655462135,2.6773286512323167,2.676949476113606,third
+276,10.47,91,1.4714307569966784e+17,4.01,1.3887912413184778,57.6,Linear,Base,0,0.8806981495645559,0.7494048141550623,3.38,1.6700038121880998,0.825879175470327,0.4088418538609293,0.20225614386420937,0.09994062048960464,0.04945889547059068,0.02449219067293999,0.012105916067088355,0.005984848194020764,0.0029648091767333065,0.74,0.74,0.74,0.74,0.74,0.74,0.74,0.74,0.74,0.74,0.74,3.17,4.8799961878119,5.724120824529673,6.1411581461390705,6.34774385613579,6.450059379510395,6.500541104529408,6.52550780932706,6.537894083932911,6.544015151805979,6.547035190823267,first
+273,8.65,91,2.5821341014281334e+17,3.79,1.332366019094335,32.7,Ring,Acid,0,0.9995471149461963,0.6373606799931326,3.49,1.5673470730544692,0.7055864056520704,0.3175647654609671,0.14296671894300023,0.06432638785665064,0.028914217202001723,0.012999996889319514,0.00584932084289245,0.0026335096686167844,0.0011856042325627974,4.8,4.8,4.8,4.8,4.8,4.8,4.8,4.8,4.8,4.8,4.8,3.63,3.63,3.63,3.63,3.63,3.63,3.63,3.63,3.63,3.63,3.63,first
+274,5.99,98,4.1890912904423296e+17,0.51,-0.6733445532637656,139.7,Unknown,Enzyme,1,0.086892558392091,0.06843962283471088,2.02,2.0202760127441826,2.0205201474393037,2.020735855104748,2.0209261285848394,2.0210938031363748,2.0212415564286266,2.021371908543341,2.021487221974739,2.0215894083257213,2.0216796652457925,0.93,0.93,0.93,0.93,0.93,0.93,0.93,0.93,0.93,0.93,0.93,2.57,2.5697239872558173,2.569479852560696,2.569264144895252,2.5690738714151604,2.568906196863625,2.5687584435713733,2.568628091456659,2.568512778025261,2.5684105916742785,2.5683203347542074,first
+280,6.11,92,4.749928433275855e+17,4.51,1.506297153514587,120.5,Linear,Acid,1,3.260295071551287,2.2761515256712492,1.36,0.5246733609188322,0.5255584765159365,0.5253213120429636,0.5248336556810557,0.5243870381086049,0.5255015552181677,0.5254306747651727,0.525007829129993,0.5243612747627567,0.5254347266804243,4.06,3.6423366804594157,3.6427792382579685,3.642660656021482,3.6424168278405276,3.642193519054302,3.6427507776090833,3.6427153373825853,3.6425039145649953,3.642180637381377,3.642717363340211,1.02,1.4376633195405837,1.4372207617420316,1.4373393439785183,1.437583172159472,1.4378064809456974,1.437249222390916,1.4372846626174134,1.4374960854350032,1.437819362618621,1.4372826366597873,third
+278,6.05,99,3.499113446589474e+17,4.46,1.4951487660319727,129.1,Ring,Base,0,0.08744635803061815,0.06465034139236295,6.14,5.725143521785167,5.338317676681738,4.977618549715914,4.641251762489074,4.32761507381276,4.035199733867318,3.7625771664514955,3.5083989689824366,3.271396912495682,3.0503829416451715,2.45,2.45,2.45,2.45,2.45,2.45,2.45,2.45,2.45,2.45,2.45,4.22,4.22,4.22,4.22,4.22,4.22,4.22,4.22,4.22,4.22,4.22,first
+272,11.07,92,8.96129189025894e+16,4.21,1.43746264769429,191.5,Linear,Base,0,0.19236838344750767,0.1676612236265849,5.92,2.104926593525944,1.2786292644603812,0.9187376685317451,0.7171793060623044,0.5874608254995537,0.4980357223303127,0.43212624245422365,0.3813193572973939,0.3415061096890849,0.30924233995776296,4.54,4.54,4.54,4.54,4.54,4.54,4.54,4.54,4.54,4.54,4.54,4.64,6.547536703237027,6.960685367769808,7.140631165734126,7.241410346968847,7.306269587250222,7.350982138834842,7.383936878772887,7.409340321351302,7.429246945155456,7.4453788300211174,second
+272,8.79,99,1.2900003710044942e+17,1.03,0.02955880224154443,177.3,Ring,Acid,0,0.012532292774323413,0.006646981791396853,1.53,1.4229345156663948,1.3316369237845362,1.2525720796240827,1.1831332900330476,1.1219421099331057,1.0677916808531192,1.0195564584664973,0.976192212591195,0.9367360271897143,0.9003063003691032,2.48,2.426467257833197,2.3808184618922676,2.341286039812041,2.306566645016524,2.275971054966553,2.2488958404265595,2.2247782292332485,2.203096106295597,2.183368013594857,2.1651531501845516,3.43,3.483532742166803,3.5291815381077325,3.568713960187959,3.6034333549834763,3.6340289450334473,3.6611041595734406,3.6852217707667516,3.706903893704403,3.726631986405143,3.7448468498154486,third
+277,10.2,91,2.8446858735840944e+17,0.87,-0.13926206733350766,143.4,Ring,None,1,1.9647086196273766,1.7393704612354286,4.99,4.298090062391782,4.2977347208393475,4.2982604902776425,4.298399652946516,4.297460346741039,4.297703698478707,4.2984054455751375,4.298924365435355,4.298175282977849,4.298235075067679,1.37,0.6780900623917809,0.6777347208393468,0.678260490277641,0.6783996529465155,0.6774603467410372,0.6777036984787065,0.678405445575136,0.6789243654353536,0.6781752829778477,0.6782350750676772,2.6,3.2919099376082195,3.2922652791606537,3.2917395097223596,3.2916003470534854,3.292539653258964,3.2922963015212945,3.2915945544248646,3.2910756345646472,3.2918247170221533,3.2917649249323238,second
+277,13.58,95,4.392271818353978e+17,2.57,0.9439058989071284,76.1,Branched,Acid,0,0.5341152401017242,0.4046267283746199,1.53,0.6659841494432648,0.4250796817925958,0.3119545393459146,0.24662313104150704,0.20373400274524694,0.17376224692200623,0.15123566888686021,0.1340139423385087,0.12038519917691254,0.10916089399514425,1.06,1.06,1.06,1.06,1.06,1.06,1.06,1.06,1.06,1.06,1.06,3.59,4.022007925278367,4.142460159103702,4.199022730327043,4.2316884344792465,4.253132998627377,4.268118876538997,4.27938216555657,4.287993028830746,4.294807400411544,4.3004195530024285,second
+274,2.06,98,2.6441585440917416e+16,4.92,1.5933085305042167,20.6,Ring,Enzyme,0,0.005484666834896732,0.00420136971689638,1.94,1.9315064444275136,1.923050074672495,1.9146307279321368,1.9062482421142042,1.8979024558351205,1.8895932084197844,1.8813203399014697,1.8730836910089255,1.8648831031656903,1.8567184184900916,2.15,2.15,2.15,2.15,2.15,2.15,2.15,2.15,2.15,2.15,2.15,4.59,4.59,4.59,4.59,4.59,4.59,4.59,4.59,4.59,4.59,4.59,first
+275,5.69,95,3.6242136198509096e+16,4.48,1.4996230464268938,139.4,Unknown,Enzyme,1,0.03264887684899531,0.021052710943072893,7.92,7.27995024596034,6.79861749012564,6.428489121062439,6.138005521019588,5.90501925980929,5.716948305272251,5.564039302992075,5.4381664140204276,5.333489999861284,5.246322813031585,3.61,2.969950245960339,2.488617490125639,2.1184891210624386,1.8280055210195874,1.5950192598092887,1.406948305272251,1.2540393029920742,1.1281664140204264,1.023489999861283,0.9363228130315852,0.22,0.8600497540396608,1.3413825098743613,1.7115108789375617,2.0019944789804125,2.234980740190711,2.423051694727749,2.575960697007926,2.7018335859795735,2.8065100001387164,2.8936771869684144,second
+273,5.3,92,1.1244444007765802e+17,1.54,0.43178241642553783,63.5,Ring,Base,0,0.28016886754367365,0.21870518342612696,5.61,5.385864905965061,5.161729811930122,4.937594717895183,4.713459623860244,4.489324529825305,4.265189435790366,4.0410543417554265,3.816919247720488,3.5927841536855496,3.3686490596506102,2.65,2.65,2.65,2.65,2.65,2.65,2.65,2.65,2.65,2.65,2.65,0.27,0.494135094034939,0.7182701880698779,0.9424052821048168,1.1665403761397557,1.3906754701746946,1.614810564209634,1.838945658244573,2.0630807522795114,2.2872158463144503,2.511350940349389,zero
+278,13.55,93,1.2444813123226346e+17,4.44,1.4906543764441336,68.3,Unknown,None,1,0.41704136288455285,0.3605263316122509,7.24,2.1952131570958775,2.082683269500908,2.0773935467492963,2.0767841505607665,2.075564849631953,2.077129100997023,2.077885206791691,2.078589997454283,2.0796486774623384,2.078458957645258,2.63,2.63,2.63,2.63,2.63,2.63,2.63,2.63,2.63,2.63,2.63,2.41,4.932393421452061,4.988658365249546,4.9913032266253525,4.9916079247196175,4.992217575184023,4.9914354495014885,4.9910573966041545,4.990705001272858,4.9901756612688315,4.990770521177371,second
+275,1.97,99,1.8291941661390928e+17,3.63,1.2892326482767593,191.9,Ring,Base,0,0.028649051123140923,0.020136306326456892,8.2,2.5664504540790394,1.8604802716638693,1.5330216957478013,1.3324281833210982,1.195916107097304,1.0930680335637335,1.0130789998678764,0.9491013297772162,0.8956271148452568,0.8499738949910742,0.99,0.99,0.99,0.99,0.99,0.99,0.99,0.99,0.99,0.99,0.99,1.08,2.9578498486403197,3.19317324277871,3.3023261014173992,3.3691906055596337,3.414694630967565,3.4489773221454216,3.475640333377374,3.496966223407594,3.5147909617182473,3.5300087016696415,third
+276,9.16,99,3.680254262325634e+17,3.09,1.128171090909654,153.1,Linear,Base,0,0.0674315059686681,0.0502918605755247,5.52,1.852935312035548,1.2167329344968032,0.9257010521356472,0.7528961431530616,0.638441873351621,0.5549761034346657,0.4923055074671101,0.44299245155966493,0.4027403439499959,0.3694664839417368,4.64,2.8064676560177744,2.488366467248402,2.3428505260678243,2.256448071576531,2.1992209366758106,2.157488051717333,2.1261527537335554,2.1014962257798326,2.0813701719749984,2.0647332419708686,4.21,6.043532343982226,6.361633532751598,6.507149473932176,6.593551928423469,6.650779063324189,6.692511948282667,6.723847246266446,6.7485037742201675,6.768629828025002,6.785266758029131,third
+272,12.79,90,4.5623775641550086e+17,4.22,1.4398351280479205,75.9,Linear,Base,1,2.3716270872284517,1.7227558392068882,6.21,4.469210227768509,4.403794928283672,4.400470396236974,4.397050304618174,4.4037428110449355,4.40168829012652,4.399931471168127,4.399588408743553,4.407305400285358,4.403432354672026,4.66,4.66,4.66,4.66,4.66,4.66,4.66,4.66,4.66,4.66,4.66,4.25,5.99078977223149,6.056205071716327,6.059529603763025,6.062949695381825,6.056257188955064,6.058311709873479,6.060068528831872,6.060411591256446,6.052694599714641,6.056567645327973,first
+273,1.86,99,2.6228152354281987e+17,2.04,0.712949807856125,166.0,Unknown,Base,1,0.029912414416092763,0.02321088229382525,7.51,2.6158155268406103,2.051094739959411,1.836665596669709,1.736001353360429,1.685477818839106,1.657447224603278,1.642913419791089,1.634817036743776,1.6300597628141738,1.6275604968315656,2.02,2.02,2.02,2.02,2.02,2.02,2.02,2.02,2.02,2.02,2.02,3.56,5.191394824386465,5.379635086680198,5.451111467776766,5.484666215546525,5.5015073937203,5.510850925132242,5.515695526736305,5.5183943210854105,5.519980079061944,5.520813167722814,third
+277,1.74,94,3.620995511684842e+17,2.24,0.8064758658669485,30.6,Ring,None,1,0.6797563385829528,0.5256291286954201,8.71,1.8497471839460073,1.8167701444374718,1.8161210111607258,1.8175955717892995,1.8196811891931872,1.8160843788262493,1.8170527172188244,1.8171290456706957,1.8158717099300508,1.8167416950979531,4.7,4.7,4.7,4.7,4.7,4.7,4.7,4.7,4.7,4.7,4.7,0.82,4.250126408026997,4.266614927781265,4.2669394944196375,4.266202214105351,4.2651594054034065,4.2669578105868755,4.266473641390589,4.266435477164652,4.267064145034975,4.266629152451023,second
+271,12.47,90,1.688265161229814e+17,3.21,1.1662709371419244,42.0,Branched,Acid,1,0.7577338789683702,0.49765985255720135,8.7,7.277977181577977,7.26984286843751,7.269721725995946,7.269997793600253,7.269521171635739,7.270210776216441,7.269667430560988,7.269921155401042,7.26953988990713,7.270107218367168,1.76,0.3379771815779776,0.32984286843751165,0.3297217259959474,0.3299977936002546,0.32952117163573963,0.33021077621644146,0.32966743056098835,0.32992115540104316,0.32953988990713046,0.3301072183671687,2.22,3.642022818422023,3.650157131562489,3.6502782740040534,3.650002206399746,3.6504788283642604,3.649789223783559,3.650332569439012,3.650078844598957,3.6504601100928697,3.6498927816328313,second
+277,12.67,97,1.7670266216968554e+17,1.35,0.30010459245033816,171.4,Ring,None,0,0.09016330384306478,0.049264413511694534,1.82,1.1718887571384673,0.928387849866379,0.7930098531653241,0.7032758692275959,0.6384407406836581,0.5891399314187564,0.54927564264956,0.5165966553632626,0.4892456561673638,0.46579412956645594,3.62,3.62,3.62,3.62,3.62,3.62,3.62,3.62,3.62,3.62,3.62,1.91,2.1260370809538442,2.20720405004454,2.252330048944892,2.282241376924135,2.3038530864387807,2.320286689527081,2.3335747857834797,2.344467781545579,2.3535847812775454,2.3614019568111813,third
+271,6.2,90,6.9456589976487496e+16,4.84,1.5769147207285403,144.5,Linear,Enzyme,0,0.3117378273947295,0.2568923772055865,8.94,8.833179182035128,8.82146107782364,8.820162179904951,8.820018264774543,8.82000193711399,8.820000143650667,8.820000115000209,8.82000000684295,8.819999845798526,8.820000420159142,0.12,0.013179182035128866,0.0014610778236400738,0.00016217990495075873,1.82647745424359e-05,1.9371139896632267e-06,1.4365066623335077e-07,1.1500020824841155e-07,6.842947766173564e-09,-1.5420147560923162e-07,4.2015914097706513e-07,2.01,2.116820817964871,2.12853892217636,2.129837820095049,2.1299817352254573,2.1299980628860102,2.1299998563493334,2.129999884999792,2.1299999931570524,2.1300001542014755,2.129999579840859,second
+278,12.21,90,2.0682230227435757e+17,1.92,0.6523251860396901,140.2,Ring,None,0,2.5380001540732247,2.1364937530321604,7.18,0.2867690154970014,0.20298690199388364,0.16567364844641094,0.14353480848185018,0.12834227380368438,0.11724897726142408,0.10849482538514449,0.10146797074094782,0.09569522169208983,0.09079886196203601,1.58,1.58,1.58,1.58,1.58,1.58,1.58,1.58,1.58,1.58,1.58,1.62,3.9177436615009995,3.945671032668706,3.9581087838511966,3.965488397172717,3.9705525753987723,3.974250340912859,3.9771683915382856,3.9795106764196846,3.9814349261026374,3.983067046012655,third
+277,4.12,91,4.5407673230735085e+17,1.65,0.5007752879124892,153.9,Ring,Enzyme,1,3.136122966056948,2.0121103948563834,9.19,5.398043440739718,5.3356665824379395,5.3337693153806365,5.335286812102673,5.341052327047209,5.336921367826396,5.332685734888751,5.332480157154338,5.338965342763541,5.33632984795878,2.13,2.13,2.13,2.13,2.13,2.13,2.13,2.13,2.13,2.13,2.13,4.46,8.25195655926028,8.31433341756206,8.316230684619361,8.314713187897325,8.30894767295279,8.313078632173603,8.31731426511125,8.317519842845664,8.31103465723646,8.313670152041222,first
+274,9.85,99,2.5988786985135424e+17,4.01,1.3887912413184778,138.9,Branched,None,0,0.034753977174215786,0.018866631972173864,8.89,8.220138194557638,7.72379217919355,7.344523009368032,7.05098224616333,6.819673964532782,6.632309916557467,6.480085199870046,6.356161952192545,6.254444659528116,6.169856725878978,3.17,2.500138194557637,2.0037921791935496,1.6245230093680316,1.3309822461633296,1.0996739645327815,0.9123099165574661,0.7600851998700459,0.6361619521925452,0.534444659528116,0.44985672587897774,4.09,4.7598618054423625,5.25620782080645,5.635476990631968,5.92901775383667,6.160326035467218,6.347690083442534,6.499914800129955,6.623838047807455,6.725555340471884,6.810143274121023,second
+274,3.17,90,4.7900218935326886e+17,1.59,0.4637340162321402,33.9,Ring,Enzyme,0,3.3293106382422515,1.6784326742870936,7.05,5.7500001583382865,5.749999877926471,5.750000024941463,5.750000150893286,5.750001707210434,5.749999134593266,5.750000713406332,5.750000718946816,5.749999654577292,5.750001176871199,1.3,1.5833828659254635e-07,-1.2207352979753565e-07,2.494146248990884e-08,1.508932849783833e-07,1.707210432953113e-06,-8.654067345151103e-07,7.134063319565294e-07,7.189468154464888e-07,-3.454227089370843e-07,1.1768711968381914e-06,4.42,5.719999841661713,5.720000122073529,5.719999975058537,5.719999849106713,5.719998292789565,5.720000865406734,5.7199992865936675,5.719999281053184,5.720000345422708,5.719998823128801,second
+270,9.33,99,3.6056721857284314e+17,4.11,1.4134230285081433,28.5,Ring,None,1,0.025327548990128432,0.018654980214405488,1.16,1.1382590020051446,1.1227330032488707,1.1116174940331751,1.103375478952971,1.0973123464966479,1.0931587382311585,1.0904505574735197,1.0885244803839127,1.086800621598896,1.0855159094669047,3.19,3.1791295010025724,3.1713665016244352,3.1658087470165874,3.161687739476485,3.158656173248324,3.156579369115579,3.1552252787367596,3.154262240191956,3.1534003107994475,3.1527579547334517,4.97,4.980870498997428,4.988633498375565,4.994191252983413,4.998312260523514,5.001343826751676,5.0034206308844205,5.0047747212632405,5.005737759808044,5.006599689200551,5.007242045266548,third
+272,7.2,100,3.059426783197281e+17,1.07,0.06765864847381486,89.1,Branched,None,1,0.019100058951923217,0.015081293458758131,5.72,4.9851671957648875,4.599176186348799,4.360769912245832,4.203046578064534,4.095005360919081,4.0179625675669515,3.961764982388898,3.9207363505310333,3.8900784079352424,3.866957789267396,1.1,0.732583597882444,0.5395880931743999,0.42038495612291615,0.3415232890322672,0.2875026804595409,0.24898128378347625,0.22088249119444917,0.20036817526551706,0.18503920396762152,0.17347889463369845,1.53,1.8974164021175561,2.0904119068256004,2.209615043877084,2.2884767109677333,2.3424973195404597,2.3810187162165244,2.409117508805551,2.4296318247344835,2.444960796032379,2.456521105366302,third
+279,6.79,92,1.9971566759720128e+17,4.04,1.3962446919730587,137.6,Unknown,Enzyme,0,1.1897735418106075,0.7775389707322834,6.91,0.6134759381568339,0.40812234376278494,0.31834985298231844,0.2655592337907928,0.22973419124192468,0.20373533843198308,0.18382520519553164,0.1677993136024048,0.1546925098054625,0.14371924046487333,3.64,0.49173796907841755,0.3890611718813931,0.3441749264911598,0.317779616895397,0.299867095620963,0.28686766921599216,0.2769126025977664,0.26889965680120304,0.2623462549027319,0.25685962023243725,3.04,6.188262030921583,6.290938828118607,6.335825073508841,6.362220383104603,6.380132904379037,6.393132330784008,6.403087397402234,6.411100343198798,6.417653745097269,6.423140379767563,third
+273,7.07,97,3.263447879010287e+17,1.64,0.494696241836107,35.3,Branched,Base,0,0.08983501166911889,0.04755406122603145,8.0,7.4452296403513385,6.928930863742831,6.448393279502085,6.001124526214245,5.584893854462454,5.197586077799437,4.837199279905183,4.501844814586934,4.1897473057791945,3.899244647543721,2.69,2.69,2.69,2.69,2.69,2.69,2.69,2.69,2.69,2.69,2.69,4.63,5.184770359648661,5.701069136257169,6.181606720497915,6.6288754737857545,7.045106145537546,7.4324139222005625,7.792800720094817,8.128155185413066,8.440252694220806,8.73075535245628,first
+279,1.86,90,2.2757375762722285e+17,4.0,1.3862943611198906,142.1,Branched,Base,1,3.2109218727174746,2.5864883659889792,5.28,4.339234909450199,4.3407219162723845,4.340271367015934,4.338930035884535,4.338298400606458,4.338631447409637,4.339464819328896,4.340185779454131,4.339822176199129,4.339689914475307,2.01,1.0692349094501987,1.0707219162723849,1.0702713670159343,1.0689300358845357,1.0682984006064582,1.0686314474096368,1.0694648193288971,1.0701857794541327,1.069822176199131,1.0696899144753076,4.82,5.7607650905498025,5.759278083727617,5.759728632984068,5.761069964115467,5.761701599393543,5.761368552590365,5.760535180671106,5.75981422054587,5.7601778238008725,5.7603100855246945,second
+278,13.48,90,9.874820095626421e+16,3.92,1.366091653802371,135.4,Branched,Base,0,1.211779128679225,0.717061036674655,5.45,4.4805766970566205,3.5111533941132405,2.54173009116986,1.5723067882264794,0.6028834852830998,-0.3665398176602812,-1.3359631206036617,-2.3053864235470414,-3.2748097264904237,-4.2442330294338015,0.02,0.02,0.02,0.02,0.02,0.02,0.02,0.02,0.02,0.02,0.02,1.17,2.13942330294338,3.10884660588676,4.078269908830141,5.047693211773521,6.017116514716901,6.986539817660281,7.955963120603663,8.925386423547042,9.894809726490424,10.864233029433802,zero
+274,11.05,99,4.1944558707488314e+17,3.64,1.2919836816486494,194.5,Linear,Acid,0,0.05609112255744654,0.0335443008560629,5.31,1.814217490579522,1.3222701334174738,1.090779638972517,0.950441975094831,0.8521800532002112,0.7798350044650566,0.7234251822645482,0.6772615838032998,0.6389850585102568,0.6065362530802397,2.08,2.08,2.08,2.08,2.08,2.08,2.08,2.08,2.08,2.08,2.08,2.89,4.055260836473493,4.2192432888608415,4.29640678700916,4.343186008301722,4.375939982266596,4.4000549985116475,4.4188582725784835,4.434246138732234,4.4470049804965806,4.457821248973254,third
+275,4.86,98,2.2674145804626266e+17,3.82,1.3402504226184837,141.6,Branched,None,0,0.05499616110487902,0.04636759646825764,6.89,4.303066984299003,3.1233922047313687,2.4500358223219756,2.018531547477253,1.7140280742686762,1.4899386773548395,1.3189193519804943,1.1818007228831964,1.0705284365923193,0.9784174521516124,2.08,2.08,2.08,2.08,2.08,2.08,2.08,2.08,2.08,2.08,2.08,2.38,3.6734665078504984,4.263303897634316,4.599982088839012,4.815734226261373,4.967985962865662,5.0800306613225805,5.165540324009753,5.234099638558402,5.289735781703841,5.335791273924195,second
+279,11.26,97,3.18584769894448e+17,4.0,1.3862943611198906,198.0,Branched,Acid,1,0.21985619717068128,0.14206089832927912,2.72,2.3095546473001516,2.0020456489648084,1.7722394836374746,1.600142908908857,1.4709475855924345,1.3746445693792713,1.3026505824176036,1.2484359892056816,1.2079456301455582,1.177687303383667,2.42,2.42,2.42,2.42,2.42,2.42,2.42,2.42,2.42,2.42,2.42,0.05,0.4604453526998488,0.7679543510351923,0.9977605163625259,1.1698570910911437,1.2990524144075661,1.3953554306207294,1.4673494175823971,1.5215640107943191,1.5620543698544425,1.5923126966163337,first
+270,10.64,92,2.161176442220245e+17,2.06,0.7227059828014898,161.2,Unknown,Base,0,0.34322385722102655,0.2555834456711954,9.68,0.7778932322712125,0.5512169644344299,0.4501062017734312,0.39012227985726977,0.3487997635485804,0.318688314304803,0.29496889108221086,0.27585684664154403,0.2601188868311536,0.24678555655242324,2.68,2.68,2.68,2.68,2.68,2.68,2.68,2.68,2.68,2.68,2.68,2.62,5.587368922576263,5.662927678521857,5.696631266075523,5.716625906714244,5.730400078817141,5.740437228565066,5.748343702972597,5.754714384452819,5.759960371056282,5.764404814482526,third
+273,2.78,97,3.289157946001642e+17,4.49,1.501852701754163,157.9,Linear,None,1,0.09054274908482497,0.06673500394376553,2.91,2.0724670199074153,1.8033548248658406,1.6885098215219725,1.6329583364443767,1.6055748567378951,1.591254608793656,1.584305529192026,1.5801056069297594,1.5783229023428846,1.577428648860644,1.58,1.1612335099537077,1.0266774124329205,0.9692549107609864,0.9414791682221885,0.9277874283689477,0.9206273043968282,0.9171527645960131,0.9150528034648798,0.9141614511714424,0.9137143244303221,2.41,2.8287664900462923,2.96332258756708,3.020745089239014,3.048520831777812,3.062212571631053,3.0693726956031724,3.0728472354039877,3.074947196535121,3.0758385488285587,3.076285675569679,third
+275,2.4,98,2.3026556684973692e+16,1.52,0.41871033485818504,181.5,Unknown,Acid,1,0.005585093401309349,0.0028296705157094437,2.1,2.0058726983726696,1.9226769984447314,1.848594171545764,1.7821423191490853,1.7223137841348461,1.6682564770314083,1.6192077905130784,1.5744945994001052,1.533533260658682,1.4958296134009457,2.92,2.8729363491863347,2.831338499222366,2.794297085772882,2.7610711595745427,2.731156892067423,2.7041282385157044,2.6796038952565393,2.6572472997000527,2.636766630329341,2.617914806700473,3.26,3.307063650813665,3.348661500777634,3.3857029142271178,3.418928840425457,3.4488431079325768,3.4758717614842953,3.5003961047434604,3.522752700299947,3.543233369670659,3.5620851932995268,third
+276,11.43,94,4.20862150821477e+17,2.18,0.7793248768009977,123.0,Linear,Base,0,0.6814575258257416,0.5332141540287055,6.37,4.250054788503257,4.2500009507745045,4.250000382449321,4.249999928684416,4.249999841559885,4.249999587696637,4.249999247517786,4.249999356037496,4.249998699801529,4.250000385856829,1.06,2.7394251628713467e-05,4.753872522027933e-07,1.9122466024690476e-07,-3.5657791712138103e-08,-7.922005752951718e-08,-2.061516813642936e-07,-3.7624110718444103e-07,-3.2198125194771416e-07,-6.500992348339589e-07,1.9292841507373617e-07,2.51,3.5699726057483714,3.5699995246127476,3.5699998087753393,3.5700000356577917,3.5700000792200575,3.5700002061516813,3.570000376241107,3.5700003219812517,3.570000650099235,3.5699998070715853,third
+273,2.95,90,8.40628204221231e+16,4.8,1.5686159179138452,178.1,Ring,None,0,0.5055580405237706,0.2776857469146483,1.5,0.6805468105177256,0.43941653042624074,0.32441855584779955,0.25742436396601903,0.21299288203760103,0.18197113937932818,0.1586153983533255,0.14058077203764596,0.12636604976719565,0.11471958194709173,1.64,1.64,1.64,1.64,1.64,1.64,1.64,1.64,1.64,1.64,1.64,1.91,2.319726594741137,2.440291734786879,2.4977907220761,2.5312878180169904,2.5535035589811996,2.569014430310336,2.5806923008233373,2.589709613981177,2.5968169751164023,2.6026402090264544,second
+275,4.06,94,2.7658254996306012e+16,3.91,1.3635373739972745,79.7,Linear,Acid,0,0.038586042617497325,0.02962334237967985,6.09,4.425257870308582,3.4877464181467506,2.8705136760645775,2.4403496249187624,2.120089757883254,1.8764732341401138,1.6832748696987139,1.524758484287429,1.393650357480968,1.2832988732503323,4.83,4.83,4.83,4.83,4.83,4.83,4.83,4.83,4.83,4.83,4.83,4.95,5.78237106484571,6.251126790926625,6.559743161967711,6.7748251875406185,6.9349551210583735,7.056763382929943,7.153362565150642,7.232620757856285,7.298174821259516,7.353350563374834,second
+276,2.9,94,3.1223652357231174e+17,1.96,0.6729444732424258,82.9,Linear,Enzyme,0,0.5055715473836339,0.4188889956275493,8.2,3.7441953038512845,3.740014645813353,3.740000189798491,3.7399995387685157,3.7399991942999806,3.7400024167998143,3.7400002073457683,3.73999873337788,3.7400008814251007,3.740000799598601,2.23,0.0020976519256420217,7.3229066760848565e-06,9.489924530578403e-08,-2.3061574241976517e-07,-4.028500098368364e-07,1.2083999068658278e-06,1.0367288398741908e-07,-6.333110598155817e-07,4.4071255019431017e-07,3.9979930036312617e-07,4.22,6.447902348074358,6.4499926770933245,6.449999905100754,6.450000230615743,6.4500004028500095,6.449998791600093,6.449999896327117,6.45000063331106,6.449999559287449,6.449999600200699,third
+273,2.72,93,2.6928607703077482e+17,2.84,1.0438040521731147,31.8,Unknown,None,0,0.4318701622793152,0.356553898539791,9.26,1.254623098019711,0.6732724365350073,0.4600034352986676,0.3492221461491243,0.28182918609448404,0.23580774158078732,0.2029882174648044,0.17815345783042277,0.15862712489309108,0.1429636497462872,1.4,1.4,1.4,1.4,1.4,1.4,1.4,1.4,1.4,1.4,1.4,0.19,4.192688450990144,4.483363781732496,4.589998282350666,4.645388926925437,4.679085406952757,4.702096129209606,4.718505891267597,4.730923271084788,4.740686437553454,4.748518175126856,second
+274,4.72,90,3.5861242429371974e+17,3.51,1.2556160374777743,187.4,Unknown,Base,1,2.492540088008634,2.0561890555151723,3.03,0.8822510301374109,0.8816653883265134,0.8825860469431243,0.8818290941989697,0.8828511069035432,0.8826825548521529,0.8817242733752888,0.8832788020777094,0.8823435798449641,0.8822904259378835,2.34,1.2661255150687056,1.265832694163257,1.2662930234715621,1.2659145470994853,1.266425553451772,1.2663412774260772,1.2658621366876452,1.2666394010388553,1.2661717899224827,1.2661452129689421,0.12,1.1938744849312943,1.194167305836743,1.1937069765284378,1.1940854529005147,1.1935744465482279,1.1936587225739228,1.1941378633123547,1.1933605989611447,1.1938282100775173,1.1938547870310579,third
+270,11.04,94,4.3918866699892205e+17,2.41,0.8796267475025636,92.4,Ring,None,0,0.28615486497222425,0.1980234025138647,2.03,0.7885745740129364,0.5795669580579873,0.4799185253830733,0.4182147588653219,0.37591629520901826,0.3440400031185624,0.31904338125749504,0.2990242446370118,0.28238212450365013,0.2680865165138175,0.11,0.11,0.11,0.11,0.11,0.11,0.11,0.11,0.11,0.11,0.11,4.03,4.443808475329021,4.513477680647338,4.5466938248723086,4.567261747044893,4.581361234930327,4.591986665627146,4.600318872914168,4.606991918454329,4.612539291832117,4.617304494495394,third
+271,7.95,100,4.518056416332507e+17,3.28,1.1878434223960523,130.4,Ring,Acid,1,0.02395965667011837,0.019792889460428138,2.51,1.9257423755995733,1.6312267364958177,1.449965453971544,1.3263859093852446,1.237554868606431,1.1694821243821407,1.1168953838719329,1.0756119182337869,1.0420974172445265,1.0145131322191017,1.76,1.76,1.76,1.76,1.76,1.76,1.76,1.76,1.76,1.76,1.76,0.24,0.434752541466809,0.5329244211680608,0.5933448486761521,0.6345380302049186,0.6641483771311898,0.6868392918726198,0.7043682053760225,0.7181293605887378,0.7293008609184913,0.738495622593633,third
+275,3.64,98,2.88764268534535e+17,1.62,0.4824261492442928,142.5,Unknown,Acid,0,0.07003979938427318,0.05836328922223789,2.02,1.6470133381856795,1.390843335353048,1.2026812058459189,1.0606449284308979,0.9495229031588299,0.8581337651283726,0.7827013358234037,0.7198908332156841,0.6667238313042885,0.6206650472769357,3.21,3.21,3.21,3.21,3.21,3.21,3.21,3.21,3.21,3.21,3.21,4.23,4.416493330907161,4.544578332323477,4.638659397077041,4.709677535784552,4.765238548420586,4.810933117435814,4.848649332088299,4.880054583392159,4.906638084347857,4.929667476361534,second
+279,13.93,92,2.950037504624148e+17,0.94,-0.06187540371808753,172.7,Ring,Enzyme,0,1.7574367662679984,1.5530120905014448,5.48,0.2891286261552703,0.16596147965951427,0.11781559360772229,0.09164767430295892,0.07526054547841023,0.06383323548296924,0.05554919734091429,0.04914586802638616,0.04407277511477221,0.039960675451420874,3.55,0.9545643130776349,0.8929807398297569,0.868907796803861,0.8558238371514792,0.8476302727392049,0.8419166177414844,0.8377745986704569,0.8345729340131929,0.8320363875573858,0.8299803377257102,4.82,7.415435686922366,7.477019260170244,7.50109220319614,7.514176162848521,7.522369727260796,7.528083382258516,7.532225401329543,7.535427065986808,7.537963612442615,7.5400196622742905,third
+271,12.11,94,5.34346637431112e+16,1.58,0.4574248470388755,39.7,Branched,Acid,1,0.04063313071400564,0.020775194699317514,8.44,8.250123989737686,8.069350582315431,7.897243032697079,7.733382629440012,7.5773773851992585,7.428853609196601,7.287453149512959,7.152833393088383,7.024667265722063,6.902643232072318,3.94,3.94,3.94,3.94,3.94,3.94,3.94,3.94,3.94,3.94,3.94,4.8,4.989876010262314,5.170649417684567,5.34275696730292,5.5066173705599875,5.662622614800741,5.811146390803398,5.952546850487041,6.087166606911616,6.215332734277936,6.33735676792768,first
+274,5.27,90,1.656259372983727e+17,4.09,1.4085449700547104,123.3,Ring,Acid,0,1.1511851245624234,0.9262127511883553,6.22,2.476454926134261,0.9871927606017876,0.39332648237175644,0.15672930574266558,0.062456393571904634,0.024890608617302787,0.009920311479532033,0.0039541038824895194,0.0015762310225759545,0.0006288994580743402,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,0.23,0.23,0.23,0.23,0.23,0.23,0.23,0.23,0.23,0.23,0.23,first
+277,4.43,93,1.2502608006726456e+17,4.77,1.5623463049002497,120.8,Branched,Base,0,0.3623309333938202,0.3037536917301781,5.29,3.1281796496212397,2.558025419109112,2.326992225042083,2.2178013474641616,2.16248476786908,2.1335860403737854,2.1181645191723693,2.1098373341274925,2.105350915831401,2.1029086668151744,3.19,1.0281796496212394,0.45802541910911193,0.22699222504208266,0.11780134746416124,0.06248476786907987,0.033586040373785396,0.018164519172369043,0.009837334127492678,0.005350915831401168,0.002908666815174369,1.82,3.9818203503787606,4.551974580890889,4.783007774957918,4.892198652535839,4.947515232130921,4.976413959626215,4.991835480827632,5.000162665872508,5.0046490841686,5.007091333184826,second
+277,3.17,95,2.3907366921917773e+17,4.2,1.4350845252893227,115.4,Unknown,Base,0,0.2907217392680736,0.1959555471020393,7.71,6.502193458983123,6.268999405477793,6.216216950734258,6.203829884890001,6.200907031348917,6.200214987120658,6.200050765176589,6.2000119619431855,6.200002940638462,6.200000817646837,1.51,0.3021934589831219,0.06899940547779156,0.016216950734256434,0.0038298848899995072,0.0009070313489162871,0.00021498712065669704,5.0765176586711067e-05,1.1961943183109832e-05,2.94063846002007e-06,8.176468344941983e-07,4.99,6.1978065410168774,6.4310005945222075,6.4837830492657424,6.496170115109999,6.499092968651083,6.499785012879342,6.499949234823411,6.499988038056815,6.499997059361538,6.4999991823531635,second
+280,9.64,99,4.382738932096468e+17,2.95,1.0818051703517284,145.9,Linear,Base,1,0.14873126738112968,0.11589675523655915,1.56,1.4596726674050586,1.4351085173648468,1.4284157894870477,1.4271623836182867,1.42638327131343,1.4265959304846834,1.4258543310210263,1.4267438565993507,1.426685134123183,1.426464635791603,1.59,1.5398363337025294,1.5275542586824238,1.5242078947435242,1.5235811918091435,1.5231916356567152,1.523297965242342,1.5229271655105134,1.5233719282996756,1.5233425670615919,1.5232323178958018,3.91,3.960163666297471,3.972445741317577,3.9757921052564766,3.976418808190857,3.9768083643432854,3.976702034757659,3.9770728344894875,3.976628071700325,3.976657432938409,3.976767682104199,third
+276,10.02,91,3.547027558175024e+17,1.18,0.16551443847757333,102.8,Linear,Acid,0,2.1230089095835587,1.5500142350893138,6.98,1.2779221975322008,0.2343950818388549,0.0430004714645052,0.00787407330985942,0.0014425187174351086,0.00026499584469558737,4.835852682113317e-05,8.90093835002369e-06,1.5835099198158666e-06,3.843545099256123e-07,3.17,3.17,3.17,3.17,3.17,3.17,3.17,3.17,3.17,3.17,3.17,3.65,3.65,3.65,3.65,3.65,3.65,3.65,3.65,3.65,3.65,3.65,first
+277,12.52,95,1.8620247451802064e+17,1.45,0.371563556432483,65.8,Ring,None,0,0.22642856247908263,0.13836329776449557,9.55,4.9482876800537605,4.93022289810845,4.930002625763284,4.93000046061651,4.93000020900584,4.929998320289367,4.930000636986041,4.93000205655494,4.929998973204404,4.930000474201984,2.31,0.009143840026880101,0.0001114490542249229,1.3128816416626849e-06,2.3030825423739914e-07,1.045029191638597e-07,-8.398553174105177e-07,3.1849301954707675e-07,1.0282774688186027e-06,-5.133977991897633e-07,2.3710099079726173e-07,2.57,4.870856159973121,4.8798885509457754,4.879998687118359,4.8799997696917465,4.879999895497082,4.8800008398553185,4.879999681506982,4.879998971722532,4.880000513397801,4.87999976289901,third
+280,13.26,97,1.8974230261924858e+17,4.59,1.5238800240724537,141.0,Linear,Acid,1,0.15203335892081277,0.07602375940780863,5.53,5.104761162893849,4.750451693666417,4.454536841365402,4.207432770691772,4.0022621065859845,3.832443423672596,3.6916726752806777,3.5739231934438136,3.4749075229546182,3.3924041961249354,2.26,2.26,2.26,2.26,2.26,2.26,2.26,2.26,2.26,2.26,2.26,3.41,3.835238837106151,4.189548306333583,4.485463158634597,4.732567229308228,4.937737893414015,5.107556576327403,5.248327324719321,5.366076806556186,5.465092477045381,5.547595803875065,first
+277,13.02,96,2.155242838753995e+17,4.75,1.55814461804655,123.2,Branched,Base,0,0.16977058830270025,0.11175617212621534,8.63,7.534014255072392,6.576947404918457,5.740774196958405,5.011171657805786,4.375043801684283,3.820318123062165,3.3359455966522824,2.9123492836046547,2.5424890234495883,2.219608097787388,3.44,3.44,3.44,3.44,3.44,3.44,3.44,3.44,3.44,3.44,3.44,0.97,2.065985744927609,3.0230525950815426,3.859225803041594,4.588828342194214,5.2249561983157164,5.779681876937834,6.264054403347718,6.687650716395345,7.057510976550411,7.380391902212612,first
+276,13.48,93,2.0720627656383488e+17,4.65,1.536867219599265,149.7,Linear,Base,0,0.5187577594993431,0.2623222853934805,7.26,4.793586198752451,3.165398908575969,2.0881684090225523,1.3819234747977642,0.9118668397075727,0.6027215525391256,0.39818175727324817,0.2628731748909347,0.17388088606599197,0.11482114006934137,4.18,4.18,4.18,4.18,4.18,4.18,4.18,4.18,4.18,4.18,4.18,4.71,4.71,4.71,4.71,4.71,4.71,4.71,4.71,4.71,4.71,4.71,first
+270,1.17,96,4.7770681321745184e+17,4.44,1.4906543764441336,112.1,Unknown,Enzyme,1,0.12769509351140423,0.088268544086922,8.41,7.905030990527244,7.480198060642533,7.121996649376332,6.819768789500271,6.5661800049576815,6.354187374484836,6.17699126144061,6.0280353138064875,5.901369482454255,5.794450614149575,4.14,4.14,4.14,4.14,4.14,4.14,4.14,4.14,4.14,4.14,4.14,4.38,4.884969009472757,5.309801939357468,5.668003350623669,5.97023121049973,6.223819995042319,6.435812625515165,6.613008738559391,6.761964686193513,6.888630517545746,6.995549385850426,first
+273,12.25,98,4.148889930583159e+17,2.98,1.091923300517313,189.7,Unknown,Acid,0,0.07351200578433709,0.047143706090680235,1.04,0.9266412032774377,0.8355850237373966,0.7605731220958032,0.6977623797797629,0.6450168687190597,0.600321315673678,0.5617450816040046,0.527442659070793,0.4966327692309794,0.4692238620669885,2.99,2.99,2.99,2.99,2.99,2.99,2.99,2.99,2.99,2.99,2.99,2.32,2.376679398361281,2.4222074881313014,2.459713438952098,2.4911188101101183,2.51749156564047,2.5398393421631607,2.5591274591979976,2.5762786704646032,2.59168361538451,2.6053880689665054,second
+277,10.62,97,3.0657017761804966e+17,1.17,0.1570037488096647,143.5,Linear,Acid,0,0.15642876985777865,0.11801263088370766,2.58,2.454856984113777,2.329713968227554,2.204570952341331,2.079427936455108,1.954284920568885,1.829141904682662,1.703998888796439,1.578855872910216,1.4537128570239932,1.3285698411377702,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,1.95,2.0751430158862227,2.2002860317724457,2.3254290476586688,2.4505720635448918,2.5757150794311148,2.700858095317338,2.826001111203561,2.951144127089784,3.076287142976007,3.2014301588622294,zero
+280,13.75,97,6.394203416945297e+16,4.79,1.5665304114228238,114.4,Branched,Acid,1,0.05123434308963176,0.03412547579091363,1.19,1.2833071305657482,1.3325094370108022,1.3575832310243308,1.3696531703142119,1.3756854149438673,1.3786939282484822,1.3796759700631454,1.3805563429295673,1.3809027428761993,1.3809785950478142,1.2,1.2,1.2,1.2,1.2,1.2,1.2,1.2,1.2,1.2,1.2,4.02,3.98889762314475,3.9724968543297323,3.9641389229918893,3.9601156098952623,3.9581048616853773,3.957102023917172,3.9567746766456176,3.9564812190234773,3.9563657523746,3.956340468317395,third
+274,10.77,95,3.9621331519912256e+17,3.02,1.1052568313867783,26.9,Unknown,Base,0,0.30670764312616644,0.21517567126352224,3.94,3.0827112103144447,2.41188502886515,1.8858310825232334,1.4752869545967258,1.1555969851238193,0.9047208969661935,0.7073946643103859,0.5534484224345979,0.43353176183108233,0.33938749199938756,0.93,0.93,0.93,0.93,0.93,0.93,0.93,0.93,0.93,0.93,0.93,3.22,4.077288789685555,4.74811497113485,5.274168917476766,5.684713045403274,6.00440301487618,6.255279103033805,6.452605335689613,6.606551577565401,6.726468238168917,6.820612508000612,first
+276,3.8,93,1.2378103446015082e+17,1.09,0.08617769624105241,86.3,Unknown,None,0,0.3098958833193291,0.17022317115702945,8.85,3.976885546870825,3.950557443805496,3.9500121674976705,3.950000449868892,3.950000788722407,3.9500038437238336,3.950000973784116,3.949999118807295,3.949998482203841,3.9500003569226356,2.45,0.013442773435412714,0.00027872190274808766,6.083748835347212e-06,2.2493444616919406e-07,3.9436120374533644e-07,1.92186191690128e-06,4.868920582388526e-07,-4.4059635232266965e-07,-7.588980792813032e-07,1.7846131810674694e-07,3.85,6.286557226564588,6.299721278097252,6.2999939162511644,6.299999775065554,6.299999605638796,6.299998078138083,6.299999513107942,6.300000440596352,6.300000758898078,6.299999821538682,third
+274,8.13,96,4.824882224935453e+17,1.85,0.6151856390902335,153.1,Branched,Enzyme,0,0.2407897475725826,0.16367811968207008,2.09,1.3079654682982054,1.035463932286895,0.8868747368173251,0.7891993537798739,0.7193976363257252,0.6656112321352631,0.6231557529608037,0.5885107157459551,0.5591777215459351,0.5340774512896995,0.99,0.5989827341491027,0.46273196614344764,0.3884373684086626,0.33959967688993703,0.30469881816286265,0.2778056160676316,0.2565778764804019,0.23925535787297764,0.22458886077296764,0.2120387256448498,2.18,2.5710172658508976,2.7072680338565527,2.7815626315913375,2.830400323110063,2.865301181837138,2.892194383932369,2.9134221235195983,2.930744642127023,2.9454111392270326,2.9579612743551507,third
+270,12.08,90,9.330803676062266e+16,3.64,1.2919836816486494,66.8,Branched,Acid,0,0.36119649592865966,0.2419549687400641,1.05,0.6174482610660531,0.47923657984571344,0.4056835559462308,0.35799118156618004,0.32400407123454633,0.29794245982164413,0.27751812555802924,0.260859242936817,0.24671951672727271,0.23464852979435982,1.81,1.81,1.81,1.81,1.81,1.81,1.81,1.81,1.81,1.81,1.81,0.92,1.0641839129779822,1.1102544733847621,1.1347721480179231,1.1506696061446067,1.1619986429218179,1.1706858467261185,1.1774939581473236,1.1830469190210608,1.187760161090909,1.1917838234018798,third
+275,6.99,100,1.742547594843304e+17,3.74,1.3190856114264407,147.6,Ring,Acid,0,0.01762317192495232,0.010649579767244401,4.47,4.407421704808463,4.345719481985231,4.284881066988431,4.224894364933827,4.165747449863667,4.107428571433466,4.049926139405614,3.9932287222085745,3.937325046936893,3.882203999351196,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.6,4.6,4.6,4.6,4.6,4.6,4.6,4.6,4.6,4.6,4.6,first
+270,9.0,97,3.626212485803495e+17,2.51,0.9202827531436925,74.0,Branched,Base,0,0.06208653274326715,0.0399451171449542,8.94,1.7988784343766546,1.284194560007613,1.0524871768024113,0.9131725183088741,0.8175271355424705,0.746545630312322,0.6919657234730994,0.6474957918651887,0.6104832382882881,0.5791702989076407,1.83,1.83,1.83,1.83,1.83,1.83,1.83,1.83,1.83,1.83,1.83,4.28,6.660373855207782,6.831935146664129,6.909170941065863,6.955609160563709,6.987490954819177,7.011151456562559,7.0293447588423,7.04416806937827,7.056505587237237,7.066943233697453,third
+276,8.75,91,3.217767111593835e+17,3.29,1.1908875647772805,106.4,Linear,None,0,1.9259360506331822,1.6651819652208648,7.47,0.3293643195975978,0.23285286604744787,0.1902192861825999,0.1647735112675571,0.1473644185289603,0.13448565502103024,0.1245973679230483,0.11654317909889879,0.10985128077072759,0.10419400198493711,3.31,3.31,3.31,3.31,3.31,3.31,3.31,3.31,3.31,3.31,3.31,1.59,3.9702118934674666,4.002382377984183,4.016593571272466,4.025075496244146,4.030878527157013,4.035171448326323,4.03846754402565,4.041152273633699,4.043382906409756,4.04526866600502,third
+272,13.07,92,1.1032653720569342e+17,1.38,0.3220834991691132,139.1,Linear,None,0,0.2368334596565328,0.19981249998960673,7.86,1.9827717335797543,1.133168010601299,0.793809758729455,0.611166482609502,0.49613948199731994,0.41822276565287675,0.3610660849530897,0.317606989061696,0.2838210208421418,0.25640195211255423,3.26,3.26,3.26,3.26,3.26,3.26,3.26,3.26,3.26,3.26,3.26,4.83,7.768614133210123,8.19341599469935,8.363095120635272,8.454416758695249,8.51193025900134,8.550888617173563,8.579466957523456,8.601196505469153,8.61808948957893,8.631799023943723,second
+278,7.77,94,3.403982356187663e+17,2.78,1.0224509277025455,135.3,Linear,Acid,0,0.7400769487134875,0.5773682456171223,8.24,0.5304657481502784,0.3757412436188153,0.30677515796918875,0.26564138354203987,0.2376869982498529,0.2170352411772946,0.20082555644768876,0.18789629597112495,0.17725536539704945,0.16814921925594647,2.05,2.05,2.05,2.05,2.05,2.05,2.05,2.05,2.05,2.05,2.05,1.56,4.1298447506165745,4.181419585460395,4.204408280676938,4.2181195388193204,4.227437667250049,4.234321586274236,4.239724814517437,4.244034568009625,4.247581544867651,4.250616926914685,third
+274,13.87,97,2.2017362545363814e+17,4.14,1.4206957878372228,162.0,Linear,None,0,0.07083898190445354,0.056561613651264366,6.87,6.491495371955,6.133844627373131,5.795885120008358,5.476533779854519,5.174784627614852,4.889676169647652,4.6202913361560105,4.365757481187821,4.125246382635773,3.897974242237358,1.06,1.06,1.06,1.06,1.06,1.06,1.06,1.06,1.06,1.06,1.06,2.19,2.568504628045,2.9261553726268685,3.264114879991642,3.5834662201454806,3.8852153723851472,4.170323830352348,4.439708663843989,4.694242518812179,4.934753617364226,5.162025757762642,first
+279,6.14,97,4.3248719105917856e+17,3.85,1.3480731482996928,138.1,Ring,Base,0,0.2984605610079979,0.19010966887294972,8.81,1.6959797061118898,0.9392437717032689,0.6493823726584692,0.49581136703313056,0.4012479303415192,0.3368439949592533,0.2905544949105295,0.2551062809158139,0.22747756722349258,0.20526827774823678,3.92,3.92,3.92,3.92,3.92,3.92,3.92,3.92,3.92,3.92,3.92,3.49,7.047010146944056,7.4253781141483675,7.570308813670767,7.647094316483437,7.694376034829243,7.726578002520376,7.749722752544738,7.767446859542096,7.781261216388256,7.792365861125884,second
+278,11.98,99,1.3071379721432046e+17,3.41,1.2267122912954254,82.2,Ring,Base,0,0.032666690249457744,0.02645947600942981,8.47,7.713036700914989,7.144853511320889,6.705310569340994,6.359560734333025,6.080697623042444,5.850829512896983,5.660787187406943,5.502502456007142,5.369142039428259,5.255322212651751,3.98,3.2230367009149887,2.6548535113208884,2.2153105693409927,1.8695607343330234,1.5906976230424428,1.3608295128969807,1.170787187406942,1.0125024560071407,0.8791420394282576,0.7653222126517496,1.31,2.0669632990850113,2.6351464886791116,3.0746894306590073,3.4204392656669764,3.699302376957557,3.9291704871030193,4.119212812593058,4.277497543992859,4.410857960571742,4.524677787348251,second
+271,1.84,99,3.182473724904954e+17,3.74,1.3190856114264407,138.4,Branched,Base,1,0.02630561612800163,0.017882307445652886,4.65,2.8914298521965134,2.2462789888058197,1.9106518153953915,1.7056215948168558,1.5730951177364674,1.4811004828358971,1.416290759224955,1.3702659651521034,1.3359733557197588,1.3105168561227423,3.88,3.0007149260982566,2.6781394944029095,2.5103259076976956,2.4078107974084277,2.3415475588682337,2.2955502414179483,2.263145379612477,2.2401329825760516,2.222986677859879,2.210258428061371,3.15,4.029285073901743,4.351860505597091,4.519674092302305,4.6221892025915725,4.6884524411317665,4.734449758582051,4.766854620387522,4.789867017423948,4.80701332214012,4.8197415719386285,third
+280,7.7,94,3.271488245173824e+17,2.83,1.0402767116551463,101.4,Unknown,Base,1,0.9510364417313729,0.5943414922674929,7.73,2.422796394651245,2.421879177913729,2.4232880045150793,2.4242670583319295,2.4238136664655316,2.42331619188702,2.4229178729354293,2.4213825706123786,2.4223459529628704,2.423683231405813,3.28,0.6263981973256217,0.6259395889568641,0.626644002257539,0.6271335291659641,0.6269068332327651,0.6266580959435091,0.6264589364677138,0.6256912853061884,0.6261729764814346,0.6268416157029064,3.23,5.883601802674377,5.8840604110431345,5.88335599774246,5.882866470834035,5.8830931667672335,5.88334190405649,5.883541063532285,5.88430871469381,5.883827023518564,5.883158384297093,third
+275,5.0,96,1.3962528429879632e+17,4.28,1.4539530095937054,108.1,Ring,Base,0,0.08122084852904785,0.049430613582107145,4.82,2.9778912580611063,2.1501177608968582,1.6809152633491735,1.3814342811301255,1.1715220307810534,1.0168836213049481,0.8993888964235373,0.805414435874525,0.729119687880115,0.6660368981299797,3.2,3.2,3.2,3.2,3.2,3.2,3.2,3.2,3.2,3.2,3.2,4.96,5.881054370969447,6.294941119551571,6.529542368325414,6.679282859434938,6.784238984609474,6.861558189347527,6.920305551788232,6.967292782062739,7.005440156059943,7.036981550935011,second
+277,10.83,99,3.387776986736532e+17,3.8,1.33500106673234,179.5,Unknown,Acid,1,0.07253414589174084,0.05654085477976982,4.2,1.7708014348589567,1.5082685833059908,1.4350178738316022,1.4114325112785042,1.4037276835937642,1.4004598751801396,1.3999427288415451,1.399187758764271,1.3991628607500395,1.3994621866114592,0.51,0.51,0.51,0.51,0.51,0.51,0.51,0.51,0.51,0.51,0.51,2.58,3.389732855047014,3.4772438055646693,3.501660708722799,3.509522496240498,3.5120907721354113,3.5131800416066197,3.513352423719484,3.513604080411909,3.5136123797499863,3.5135126044628464,third
+271,12.37,92,1.144656060037059e+17,2.52,0.9242589015233319,153.3,Ring,Acid,1,0.21146652932573598,0.13251995824689627,8.31,7.134771258659532,6.241545898568956,5.563595036762774,5.050167756944796,4.6588778444198855,4.361359078895344,4.136684917404661,3.966118075750975,3.8358876928271224,3.7370247099298757,3.95,3.95,3.95,3.95,3.95,3.95,3.95,3.95,3.95,3.95,3.95,0.58,1.7552287413404692,2.648454101431046,3.326404963237228,3.8398322430552057,4.231122155580116,4.5286409211046585,4.75331508259534,4.923881924249026,5.05411230717288,5.152975290070127,first
+274,12.92,99,3.2501525534150984e+16,0.78,-0.2484613592984996,192.5,Branched,Enzyme,0,0.004346325502560537,0.0031753917630373703,3.5,3.487851421502843,3.4757450109939225,3.4636806221080807,3.451658108986773,3.439677326277425,3.4277381291321767,3.415840373209204,3.4039839146653854,3.392168610155328,3.380394316831369,4.47,4.47,4.47,4.47,4.47,4.47,4.47,4.47,4.47,4.47,4.47,0.22,0.22,0.22,0.22,0.22,0.22,0.22,0.22,0.22,0.22,0.22,first
+280,12.41,99,2.276751177996166e+17,4.58,1.5216989981260935,62.6,Linear,None,1,0.0772631209527395,0.04710288227600636,1.67,1.5821471186563674,1.5026128198291162,1.430557326530333,1.3652995690270482,1.3062456348649203,1.2528328768590702,1.2045299130940808,1.1608366269239965,1.1212841669723237,1.0854349471320308,4.81,4.81,4.81,4.81,4.81,4.81,4.81,4.81,4.81,4.81,4.81,0.29,0.3778528813436326,0.45738718017088364,0.5294426734696668,0.5947004309729517,0.6537543651350795,0.7071671231409296,0.755470086905919,0.7991633730760034,0.8387158330276762,0.874565052867969,first
+278,1.29,96,1.4017882219371646e+17,3.5,1.252762968495368,127.4,Ring,Acid,1,0.1282831555379987,0.09236723869868707,6.05,5.629845316622713,5.277686478306767,4.981808553562288,4.733557736553531,4.526182365879088,4.353282140462553,4.2088081195525175,4.0870908975158295,3.9845723556437944,3.8986476277312985,2.89,2.89,2.89,2.89,2.89,2.89,2.89,2.89,2.89,2.89,2.89,2.2,2.6201546833772866,2.9723135216932333,3.268191446437712,3.5164422634464687,3.7238176341209117,3.896717859537447,4.0411918804474825,4.1629091024841705,4.265427644356206,4.3513523722687015,first
+270,2.33,99,2.988258364650623e+17,0.78,-0.2484613592984996,31.2,Unknown,Acid,0,0.020990610412510227,0.01574252903025704,3.44,3.3827161551380436,3.3263862171332024,3.2709943013939045,3.2165247830011707,3.1629622994422353,3.110291758757997,3.0584983112218613,3.0075673478998506,2.9574845006506054,2.9082356421253825,1.29,1.29,1.29,1.29,1.29,1.29,1.29,1.29,1.29,1.29,1.29,1.99,1.99,1.99,1.99,1.99,1.99,1.99,1.99,1.99,1.99,1.99,first
+275,3.67,99,1.2261133268321398e+17,2.61,0.959350221334602,174.4,Unknown,Acid,1,0.01920352909134923,0.014348460141980948,4.65,3.719411447178696,3.2204749180807193,2.8992409746472974,2.6736365906308217,2.508136859058696,2.3815638404022392,2.280552675858845,2.199524180478549,2.133678650645601,2.079079239449831,2.08,1.6147057235893483,1.36523745904036,1.204620487323649,1.0918182953154112,1.0090684295293484,0.94578192020112,0.8952763379294228,0.8547620902392746,0.821839325322801,0.7945396197249159,1.13,1.5952942764106517,1.84476254095964,2.005379512676351,2.1181817046845888,2.200931570470652,2.26421807979888,2.3147236620705773,2.3552379097607252,2.388160674677199,2.415460380275084,third
+273,10.64,94,4.195808428604375e+17,1.92,0.6523251860396901,77.5,Unknown,Base,1,0.43312411363041176,0.30693062316300734,9.09,7.203615339089302,6.159858218486564,5.584456964857283,5.2637631230309,5.088793216358817,4.989719753333039,4.9364766548513686,4.9067148751729945,4.889746614896678,4.8808792272973935,2.21,2.21,2.21,2.21,2.21,2.21,2.21,2.21,2.21,2.21,2.21,2.65,4.536384660910698,5.580141781513435,6.155543035142715,6.476236876969098,6.6512067836411815,6.75028024666696,6.80352334514863,6.833285124827004,6.85025338510332,6.859120772702605,first
+271,10.65,93,3.0950059601211245e+17,2.63,0.9669838461896731,71.4,Unknown,None,0,0.36683722945455577,0.28853726322073175,5.28,3.937106074487891,2.935539360370812,2.18726158598711,1.6318123538910547,1.2183488579019768,0.9078474882424963,0.6769609717001869,0.505534649970516,0.37701029429188543,0.2811359514003492,1.72,1.72,1.72,1.72,1.72,1.72,1.72,1.72,1.72,1.72,1.72,4.0,5.34289392551211,6.344460639629188,7.09273841401289,7.648187646108945,8.061651142098023,8.372152511757504,8.603039028299813,8.774465350029484,8.902989705708116,8.998864048599652,first
+275,9.24,97,2.915409155865669e+17,4.83,1.5748464676644813,34.5,Linear,None,1,0.10950954122790768,0.08287695049424168,1.64,1.4739306187769423,1.3838651643996234,1.330232861646391,1.2993735445292447,1.2806954563575985,1.2693754325188664,1.2631318752679312,1.2590546249794587,1.2565350048612691,1.2550603253275694,3.26,3.26,3.26,3.26,3.26,3.26,3.26,3.26,3.26,3.26,3.26,1.88,1.9630346906115288,2.0080674178001883,2.034883569176804,2.0503132277353773,2.0596522718212005,2.0653122837405666,2.068434062366034,2.07047268751027,2.071732497569365,2.072469837336215,second
+271,2.79,92,3.491833729186065e+17,1.32,0.27763173659827955,44.6,Linear,Enzyme,0,0.645089809483569,0.574168152883077,1.23,0.7339989734924969,0.4380676825227689,0.26151968896921146,0.15618272193034916,0.09329132438561732,0.05568380407599145,0.033279622089925076,0.01985452043960041,0.011871408464386567,0.0070871058626040175,1.33,1.33,1.33,1.33,1.33,1.33,1.33,1.33,1.33,1.33,1.33,1.81,2.306001026507503,2.6019323174772313,2.7784803110307887,2.883817278069651,2.9467086756143828,2.9843161959240088,3.0067203779100753,3.0201454795603997,3.0281285915356135,3.032912894137396,first
+279,7.89,90,2.709577792302904e+17,2.39,0.8712933659434193,127.1,Linear,Base,0,3.823042994872173,2.177214699557293,6.03,0.28388918641054334,0.013369828244059436,0.000629741337670181,2.9854123878478875e-05,1.3706743779626597e-06,2.693208377401589e-07,2.3275832713509225e-07,-4.171175781098992e-07,-6.100254020373862e-07,2.6786795784077086e-07,3.85,3.85,3.85,3.85,3.85,3.85,3.85,3.85,3.85,3.85,3.85,3.26,9.006110813589459,9.276630171755942,9.28937025866233,9.289970145876124,9.289998629325623,9.289999730679163,9.289999767241675,9.29000041711758,9.290000610025404,9.289999732132046,first
+280,7.36,90,1.0586308182811254e+17,1.86,0.62057648772511,168.4,Linear,Acid,1,1.715664720887707,0.9355750711778034,9.09,1.918104672631653,1.9197972135044,1.918842453502421,1.917346239818091,1.9173734759411147,1.9187649786508434,1.9197763426919388,1.9187738867639477,1.9175894825964583,1.9188398518775704,4.55,0.9640523363158264,0.9648986067521998,0.9644212267512104,0.9636731199090454,0.9636867379705573,0.9643824893254216,0.9648881713459693,0.9643869433819737,0.9637947412982291,0.9644199259387851,2.92,6.505947663684173,6.5051013932477995,6.505578773248789,6.5063268800909535,6.506313262029442,6.505617510674579,6.505111828654031,6.505613056618026,6.506205258701771,6.505580074061215,third
+276,13.47,92,1.0522657487709085e+17,2.7,0.9932517730102834,175.9,Linear,None,0,0.40733329564832993,0.3416174321092174,9.72,0.7144288126385329,0.5061615501081129,0.4132607303296556,0.3581289588483827,0.3202236230302524,0.2925722435127617,0.2707615715170446,0.2532249296502306,0.2388015062872999,0.22657429134058493,0.97,0.97,0.97,0.97,0.97,0.97,0.97,0.97,0.97,0.97,0.97,2.39,5.391857062453825,5.461279483297298,5.492246423223451,5.510623680383874,5.523258792323251,5.532475918829081,5.539746142827654,5.545591690116591,5.550399497904235,5.554475236219806,third
+277,13.56,94,4.4177173893364845e+17,4.37,1.4747630091074988,162.6,Ring,Acid,1,0.8293220435593229,0.7205770497898216,5.7,1.2836210987000527,1.2821869380357862,1.2819380847582493,1.2820209284864907,1.2827218452649323,1.2830961010266306,1.283493917285984,1.2836901409812598,1.2841007319806703,1.283679014697974,3.74,1.531810549350026,1.531093469017893,1.5309690423791245,1.531010464243245,1.5313609226324658,1.5315480505133148,1.5317469586429915,1.5318450704906295,1.5320503659903346,1.5318395073489866,0.69,2.8981894506499737,2.898906530982107,2.8990309576208757,2.898989535756755,2.8986390773675343,2.8984519494866854,2.8982530413570085,2.8981549295093707,2.8979496340096658,2.898160492651014,third
+275,7.76,98,4.203528860486164e+17,0.77,-0.2613647641344075,124.4,Unknown,Acid,0,0.10195663043374173,0.08110715482876775,5.82,5.364133800494147,4.943974962778383,4.556674880068807,4.199630019343061,3.870576012401372,3.5673755288538684,3.2880124301434517,3.03059176954579,2.793339792169325,2.5746039349552654,0.15,0.15,0.15,0.15,0.15,0.15,0.15,0.15,0.15,0.15,0.15,4.96,5.415866199505853,5.836025037221617,6.223325119931193,6.580369980656939,6.909423987598628,7.212624471146132,7.491987569856549,7.74940823045421,7.986660207830676,8.205396065044734,first
+272,9.48,93,2.7312291592297226e+17,2.12,0.7514160886839212,118.6,Branched,Base,0,0.37676899677171655,0.2483400492742508,5.27,1.266149015642969,0.7186723571377563,0.5019923093428704,0.38604833200595456,0.3131073607911322,0.26382357332002393,0.2275343220203217,0.20020714355734734,0.1788665090243848,0.16146461344325647,2.28,2.28,2.28,2.28,2.28,2.28,2.28,2.28,2.28,2.28,2.28,3.48,5.481925492178515,5.7556638214311215,5.864003845328565,5.921975833997022,5.958446319604434,5.983088213339988,6.001232838989839,6.014896428221326,6.025566745487808,6.034267693278372,second
+271,10.03,91,3.2058534035626234e+17,2.05,0.7178397931503168,174.0,Branched,None,0,0.9231345285126135,0.5544044936546569,3.14,0.5586106050691995,0.3066817321161125,0.21137837454281563,0.16122403820186895,0.1302520346774564,0.10934349406076735,0.0942069779225823,0.08267762652545486,0.07374847754487822,0.06656682403231622,3.06,3.06,3.06,3.06,3.06,3.06,3.06,3.06,3.06,3.06,3.06,3.73,5.0206946974654,5.146659133941943,5.194310812728592,5.219387980899064,5.234873982661271,5.245328252969616,5.252896511038708,5.258661186737272,5.26312576122756,5.266716587983841,second
+272,13.2,93,3.405568155078114e+17,3.43,1.2325602611778486,35.6,Linear,None,0,0.4697930574190111,0.32584000355932546,3.07,2.694165554064791,2.3183311081295814,1.942496662194373,1.566662216259164,1.1908277703239551,0.8149933243887457,0.4391588784535365,0.06332443251832665,-0.3125100134168819,-0.6883444593520918,0.96,0.96,0.96,0.96,0.96,0.96,0.96,0.96,0.96,0.96,0.96,4.46,4.835834445935209,5.211668891870419,5.587503337805628,5.963337783740836,6.339172229676045,6.715006675611255,7.090841121546464,7.466675567481674,7.842510013416883,8.218344459352092,zero
+279,6.61,99,2.6638430211338986e+17,1.82,0.598836501088704,37.8,Unknown,Enzyme,1,0.07761880324886508,0.044428812278792924,1.23,1.071578622166419,0.9544992587885214,0.8656961038116242,0.7967273707583475,0.7418465707063746,0.6978996623171042,0.6624086088372372,0.6333101677672304,0.6092118699064953,0.589225481990019,2.28,2.28,2.28,2.28,2.28,2.28,2.28,2.28,2.28,2.28,2.28,0.03,0.10921068891679059,0.16775037060573933,0.21215194809418791,0.24663631462082627,0.2740767146468127,0.2960501688414479,0.31379569558138143,0.3283449161163849,0.3403940650467524,0.35038725900499057,second
+271,3.5,99,5.6149382404506376e+16,3.86,1.3506671834767394,185.6,Linear,Base,0,0.004641182385257325,0.00252757627594236,9.76,9.714195920125329,9.67021821944497,9.627980240790903,9.587399972106928,9.548401111461088,9.510911587500106,9.474862889980278,9.440190069767466,9.406831738837107,9.374730070274211,1.29,1.2441959201253288,1.2002182194449702,1.1579802407909026,1.1173999721069274,1.0784011114610872,1.0409115875001054,1.0048628899802763,0.9701900697674652,0.9368317388371077,0.9047300702742099,4.75,4.795804079874671,4.83978178055503,4.882019759209097,4.922600027893073,4.961598888538913,4.999088412499895,5.035137110019724,5.069809930232535,5.103168261162892,5.13526992972579,second
+272,12.92,98,3.576553002980329e+17,4.34,1.4678743481123135,57.3,Branched,Enzyme,1,0.0540693832781229,0.03442816959529161,5.67,5.602275004481356,5.5518023369559355,5.513857928240027,5.485332820648331,5.4641369435929725,5.448255049460534,5.4359888399392355,5.426686511950391,5.419697955251732,5.4144095400791175,0.61,0.542275004481356,0.49180233695593506,0.4538579282400264,0.42533282064833117,0.40413694359297203,0.388255049460534,0.375988839939236,0.3666865119503906,0.3596979552517324,0.35440954007911735,2.59,2.6577249955186435,2.7081976630440647,2.7461420717599734,2.7746671793516686,2.7958630564070277,2.811744950539466,2.8240111600607634,2.833313488049609,2.840302044748267,2.8455904599208823,second
+280,8.2,98,1.01676102044655e+17,2.71,0.9969486348916096,68.9,Unknown,Acid,0,0.05301937315783757,0.03625108354712537,9.48,9.43758450147373,9.39516900294746,9.352753504421191,9.31033800589492,9.26792250736865,9.22550700884238,9.18309151031611,9.14067601178984,9.09826051326357,9.055845014737299,0.31,0.31,0.31,0.31,0.31,0.31,0.31,0.31,0.31,0.31,0.31,2.18,2.2224154985262703,2.2648309970525404,2.3072464955788106,2.3496619941050807,2.392077492631351,2.434492991157621,2.4769084896838907,2.519323988210161,2.561739486736431,2.604154985262701,zero
+278,5.49,94,4.172145546033196e+17,1.33,0.28517894223366247,172.1,Ring,Enzyme,1,0.907087176784,0.5384418128089908,6.82,1.1995046809461882,1.200631451580437,1.1985303796596007,1.2009670483581367,1.1987436190698477,1.2007612210666947,1.1991288413105252,1.2000220617147825,1.199602904983419,1.2000168626039378,4.82,2.009752340473095,2.010315725790219,2.0092651898298013,2.0104835241790693,2.0093718095349247,2.0103806105333484,2.0095644206552636,2.0100110308573926,2.009801452491711,2.010008431301971,2.06,4.870247659526905,4.869684274209781,4.870734810170199,4.869516475820931,4.870628190465075,4.869619389466653,4.870435579344737,4.869988969142608,4.87019854750829,4.869991568698031,third
+271,4.06,94,4.848892560765987e+17,4.52,1.5085119938441398,105.7,Ring,Enzyme,1,0.36872260708326154,0.33100761306196563,2.4,2.4566139704080614,2.4883241252371633,2.506011353128905,2.517018816309979,2.522708781741121,2.5259306340388035,2.5283501945529374,2.5294819320521036,2.5296721929165797,2.5300063044525376,3.01,3.01,3.01,3.01,3.01,3.01,3.01,3.01,3.01,3.01,3.01,2.95,2.8933860295919387,2.8616758747628372,2.8439886468710944,2.8329811836900207,2.8272912182588787,2.824069365961196,2.8216498054470622,2.820518067947896,2.82032780708342,2.819993695547462,first
+272,10.2,91,2.78684462444767e+17,0.6,-0.5108256237659907,43.9,Ring,Base,0,0.9309404080599304,0.7324209382910798,6.54,0.47278481660100957,0.3348790808565575,0.27353365447093747,0.23678650875063573,0.21194881968406457,0.19345372198695543,0.17903803127910128,0.1675551178584483,0.15804300569412025,0.149900034564039,0.16,0.16,0.16,0.16,0.16,0.16,0.16,0.16,0.16,0.16,0.16,2.92,4.9424050611329955,4.988373639714479,5.008822115176352,5.021071163749786,5.0293503934386425,5.035515426004346,5.040320656240297,5.044148294047181,5.047318998101957,5.050033321811984,third
+272,13.97,96,4.2591322893496915e+17,1.02,0.01980262729617973,103.2,Ring,Base,1,0.15591933978948044,0.10882142619634597,3.18,1.4500637419081959,1.369147072114311,1.360132096745982,1.3591099499565105,1.3594419995017308,1.3583951329712123,1.3597401571383512,1.3594686312565973,1.3582275543725928,1.360549349456136,0.37,0.37,0.37,0.37,0.37,0.37,0.37,0.37,0.37,0.37,0.37,2.99,3.566645419363935,3.5936176426285638,3.596622634418007,3.5969633500144975,3.5968526668327576,3.5972016223429306,3.5967532809538842,3.596843789581136,3.5972574818758036,3.5964835501812895,third
+270,5.33,90,2.1825357946618285e+17,0.93,-0.07257069283483537,84.8,Branched,None,1,0.8448621454689199,0.5969044477063905,1.91,1.9790908167389272,1.979552897227095,1.9791342838580812,1.9793407101909832,1.9795399351409309,1.9792640738786562,1.9795448776386164,1.979307515734539,1.9795674667498908,1.9793016391734477,0.61,0.6445454083694636,0.6447764486135475,0.6445671419290406,0.6446703550954916,0.6447699675704655,0.6446320369393281,0.6447724388193082,0.6446537578672695,0.6447837333749454,0.6446508195867239,3.61,3.5754545916305362,3.5752235513864523,3.5754328580709593,3.5753296449045084,3.5752300324295345,3.5753679630606716,3.575227561180691,3.5753462421327296,3.575216266625054,3.5753491804132755,third
+279,4.18,92,2.309435847993557e+16,3.84,1.3454723665996355,92.9,Unknown,Acid,1,0.137580876929166,0.07379720687919965,7.87,3.244333239459803,2.399990801140018,2.1333845887442022,2.0362938992570854,1.9992857914274287,1.983835838268712,1.9787339136146491,1.9757498540259317,1.9752885425111888,1.9749278609137932,3.99,3.99,3.99,3.99,3.99,3.99,3.99,3.99,3.99,3.99,3.99,4.32,6.6328333802701,7.055004599429992,7.1883077056279,7.236853050371458,7.255357104286286,7.263082080865645,7.265633043192676,7.267125072987034,7.267355728744406,7.267536069543104,second
+279,7.17,92,1.1037792019315814e+17,3.93,1.3686394258811698,165.6,Branched,Base,0,0.6575584711298967,0.5834347132063877,6.66,3.934547720643281,2.325437909557998,1.3741428529878728,0.8128053641751407,0.4806210579198523,0.2840551356181905,0.16808671020012345,0.09927845931259058,0.058778511991848484,0.03473787947289655,3.23,3.23,3.23,3.23,3.23,3.23,3.23,3.23,3.23,3.23,3.23,0.33,0.33,0.33,0.33,0.33,0.33,0.33,0.33,0.33,0.33,0.33,first
+270,5.7,92,1.8112214503456042e+17,2.35,0.8544153281560676,73.6,Unknown,None,0,0.28764630241408473,0.1562542978282612,7.95,4.56965976352772,3.8168718129849806,3.545683196186463,3.432391529236263,3.382246719095736,3.3594833014780447,3.3490204817004003,3.344179396772795,3.3419360372315707,3.3408991189493324,4.61,1.2296597635277204,0.47687181298498055,0.205683196186463,0.09239152923626277,0.04224671909573588,0.019483301478044775,0.009020481700400332,0.004179396772795207,0.0019360372315706397,0.0008991189493323375,0.82,4.200340236472281,4.95312818701502,5.2243168038135375,5.337608470763738,5.387753280904265,5.410516698521956,5.420979518299601,5.425820603227206,5.42806396276843,5.429100881050669,second
+280,3.32,99,1.4781009279470144e+17,2.11,0.7466879474879751,105.8,Linear,None,0,0.050160374080420914,0.029588479546217763,2.77,1.6426534442081253,1.2797953716328316,1.0839548025571926,0.9574624560887659,0.8665723796670957,0.7981779769927058,0.7432761568690242,0.6982743085022879,0.6606762416746279,0.6285389853540156,2.04,2.04,2.04,2.04,2.04,2.04,2.04,2.04,2.04,2.04,2.04,0.1,0.475782185263958,0.5967348761223893,0.662015065814269,0.7041791813037446,0.7344758734443013,0.7572740076690979,0.7755746143769917,0.7905752304992372,0.8031079194417905,0.813820338215328,third
+278,4.75,97,2.5341779190690685e+17,1.34,0.29266961396282004,144.9,Branched,Enzyme,0,0.15046072681253847,0.09328445547680829,3.14,3.0196314185499693,2.8992628370999385,2.7788942556499077,2.6585256741998773,2.5381570927498465,2.417788511299815,2.2974199298497844,2.1770513483997536,2.0566827669497227,1.936314185499692,2.78,2.78,2.78,2.78,2.78,2.78,2.78,2.78,2.78,2.78,2.78,3.73,3.850368581450031,3.9707371629000616,4.091105744350092,4.211474325800123,4.331842907250154,4.4522114887001845,4.572580070150216,4.692948651600246,4.813317233050277,4.933685814500309,zero
+271,13.5,94,2.4067756478531958e+17,1.42,0.35065687161316933,134.6,Branched,Enzyme,0,0.18301758193643025,0.10666783521025235,8.57,7.402764963739177,6.394255417845976,5.522203080666802,4.769352765024664,4.120107626517203,3.5601003008037138,3.0761929036051368,2.657252702813822,2.29533573605811,1.982723740588131,4.67,4.67,4.67,4.67,4.67,4.67,4.67,4.67,4.67,4.67,4.67,1.47,2.637235036260823,3.645744582154024,4.517796919333198,5.270647234975336,5.919892373482797,6.479899699196286,6.963807096394863,7.382747297186179,7.74466426394189,8.05727625941187,first
+277,11.42,91,1.456369883778018e+17,0.58,-0.5447271754416722,110.0,Unknown,Acid,0,1.0058553355908195,0.5762276115818586,1.21,0.5407864167096245,0.2421362958684578,0.10840409538782166,0.04855693971235853,0.021744140195924674,0.00972663737923261,0.004350286295704785,0.001946999544212512,0.0008721698912155168,0.00039094387948144767,3.37,3.37,3.37,3.37,3.37,3.37,3.37,3.37,3.37,3.37,3.37,2.54,3.209213583290375,3.507863704131542,3.641595904612178,3.7014430602876414,3.7282558598040754,3.7402733626207674,3.7456497137042954,3.748053000455788,3.749127830108785,3.749609056120519,first
+275,3.08,100,4.5330038218689363e+17,1.63,0.4885800148186709,62.8,Ring,Acid,1,0.04584431778257731,0.030006724384966148,2.63,2.5255042773703043,2.438014833461646,2.364148446778592,2.3012902059748117,2.2479648399721524,2.2027998610362998,2.164459400348517,2.1316442080056452,2.1030916530201056,2.077972447839292,1.76,1.6555042773703046,1.5680148334616462,1.4941484467785924,1.431290205974812,1.377964839972153,1.3327998610363,1.2944594003485173,1.261644208005646,1.2330916530201064,1.2079724478392924,2.31,2.4144957226296957,2.501985166538354,2.575851553221408,2.6387097940251882,2.6920351600278476,2.7372001389637,2.7755405996514835,2.8083557919943547,2.8369083469798944,2.862027552160708,second
+270,11.23,91,7.204864368659567e+16,1.2,0.1823215567939546,81.1,Branched,Base,1,0.17864121726986834,0.10562409450626034,3.86,2.1913165298028714,1.7926016243836884,1.6635011273225293,1.617860196498731,1.6017577726280818,1.5950539805636943,1.5932344684871254,1.5918896778948897,1.592010909407106,1.5918249238468398,0.93,0.93,0.93,0.93,0.93,0.93,0.93,0.93,0.93,0.93,0.93,3.15,3.9843417350985644,4.183699187808156,4.248249436338735,4.271069901750634,4.279121113685959,4.282473009718153,4.283382765756437,4.284055161052555,4.283994545296447,4.28408753807658,second
+277,10.36,94,4.610892895093017e+17,1.0,0.0,22.8,Unknown,Base,0,0.86558617978187,0.5459073613933834,6.14,0.6484176304134187,0.3419879246302395,0.2323234402502772,0.17604198832314388,0.1415933365676129,0.11850041899413055,0.10177589341044463,0.08932046504707183,0.07952292323477306,0.07163376100605709,1.95,1.95,1.95,1.95,1.95,1.95,1.95,1.95,1.95,1.95,1.95,2.8,5.54579118479329,5.69900603768488,5.753838279874861,5.781979005838427,5.799203331716193,5.810749790502934,5.819112053294777,5.825339767476463,5.830238538382613,5.834183119496971,second
+279,5.74,92,3.817644888706493e+16,4.87,1.5830939370944985,189.4,Linear,Acid,0,0.2274299725834398,0.14765503614431955,4.85,1.7552404717332513,1.0728142953801278,0.7720011884821721,0.6033492282758872,0.49504133364349273,0.41985319782158603,0.36412337761765845,0.32188460712823386,0.2883282840655769,0.2609497990608962,3.02,3.02,3.02,3.02,3.02,3.02,3.02,3.02,3.02,3.02,3.02,0.29,1.8373797641333742,2.178592852309936,2.3289994057589136,2.413325385862056,2.4674793331782534,2.5050734010892066,2.5329383111911703,2.554057696435883,2.5708358579672113,2.5845251004695515,second
+280,1.3,92,1.2399043943761322e+17,3.62,1.2864740258376797,88.4,Linear,None,1,0.85105580914855,0.4590975649119004,7.0,1.5609404464101462,1.5602771194266063,1.560854334793515,1.5617114992495933,1.5594039018577417,1.5617337138460816,1.5603960117049749,1.560275918502313,1.5622123233917362,1.560962827081068,4.29,1.570470223205073,1.5701385597133029,1.5704271673967576,1.5708557496247966,1.569701950928871,1.5708668569230408,1.5701980058524878,1.5701379592511566,1.5711061616958684,1.5704814135405345,4.37,7.089529776794926,7.089861440286696,7.089572832603241,7.089144250375203,7.090298049071129,7.0891331430769595,7.089801994147513,7.089862040748844,7.0888938383041324,7.089518586459467,third
+273,2.62,94,5.15942293249936e+16,2.19,0.7839015438284094,158.2,Linear,Acid,0,0.05325959281764705,0.0349849033884752,2.98,2.1256134160894655,1.7193502128971772,1.4709400196361058,1.3003070137218966,1.1742688761144313,1.0748691136632833,0.9951837407622273,0.9295653900937342,0.8736874083887594,0.8254738260155755,1.85,1.4228067080447329,1.2196751064485887,1.095470009818053,1.0101535068609484,0.9471344380572156,0.8974345568316416,0.8575918703811136,0.8247826950468671,0.7968437041943797,0.7727369130077877,2.63,3.057193291955267,3.2603248935514113,3.3845299901819472,3.469846493139052,3.5328655619427844,3.5825654431683582,3.6224081296188864,3.655217304953133,3.6831562958056203,3.7072630869922123,third
+276,13.5,90,3.014979147588727e+17,2.27,0.8197798314933114,102.6,Ring,Acid,1,2.7901936390722706,2.2670733182033267,7.1,3.3883860580322893,3.3232894344217465,3.320801037069785,3.320139988154625,3.3220314452705586,3.324512162827877,3.3230858599030317,3.320306986401368,3.320700128206717,3.3225742887598755,0.43,0.43,0.43,0.43,0.43,0.43,0.43,0.43,0.43,0.43,0.43,0.31,4.02161394196771,4.086710565578254,4.089198962930214,4.089860011845375,4.087968554729441,4.085487837172122,4.086914140096968,4.089693013598631,4.089299871793283,4.087425711240123,first
+279,9.94,96,3.5062879175664996e+16,1.14,0.131028262406404,131.7,Branched,Acid,0,0.037238224890640624,0.031089820589919232,7.23,7.200209420087488,7.1704188401749755,7.1406282602624636,7.110837680349951,7.081047100437438,7.051256520524926,7.021465940612413,6.991675360699901,6.961884780787388,6.932094200874875,4.6,4.6,4.6,4.6,4.6,4.6,4.6,4.6,4.6,4.6,4.6,1.41,1.4397905799125126,1.469581159825025,1.4993717397375377,1.52916231965005,1.5589528995625626,1.588743479475075,1.6185340593875874,1.6483246393001,1.6781152192126125,1.7079057991251252,zero
+275,11.04,97,2.50881612515688e+17,1.57,0.45107561936021673,43.6,Linear,Acid,1,0.09423696236198754,0.0643498067003383,7.59,1.6227900830720265,1.3523493095640737,1.2817669114503214,1.2599921845707407,1.252427412148049,1.2504280174977376,1.2493045206254094,1.2494426412618798,1.2491467365451356,1.2491081567880635,2.33,2.33,2.33,2.33,2.33,2.33,2.33,2.33,2.33,2.33,2.33,0.74,2.729069972309324,2.819216896811975,2.8427443628498925,2.8500026051430862,2.85252419595065,2.853190660834087,2.85356515979153,2.853519119579373,2.853617754484955,2.8536306144039787,third
+272,5.45,95,2.4929197876258643e+17,4.13,1.4182774069729414,161.9,Linear,None,0,0.1420146723122831,0.09571573503210372,6.32,5.444073189978891,5.420849714933404,5.420030485633286,5.420001514517319,5.419999875482759,5.420000538221506,5.42000208879317,5.42000212506815,5.4200021649271095,5.42000200295653,0.45,0.01203659498944549,0.0004248574667019757,1.5242816643190385e-05,7.572586594846587e-07,-6.22586202389516e-08,2.691107534869486e-07,1.0443965856360397e-06,1.0625340751851189e-06,1.0824635553105164e-06,1.001478265362311e-06,0.0,0.43796340501055453,0.44957514253329806,0.4499847571833568,0.44999924274134045,0.4500000622586202,0.4499997308892465,0.44999895560341435,0.4499989374659248,0.44999891753644466,0.4499989985217346,third
+276,6.55,100,2.0172970228305658e+17,4.4,1.4816045409242156,93.5,Branched,Acid,1,0.023905184769254857,0.020910652852087777,2.83,2.8501249518698484,2.8695411513327627,2.8882735524845216,2.906346248698432,2.9237825215740565,2.9406047254534013,2.9568344431155076,2.9724925483588236,2.987599206001204,3.0021738718799114,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.46,4.439875048130152,4.420458848667238,4.401726447515479,4.383653751301567,4.366217478425944,4.349395274546599,4.3331655568844925,4.317507451641177,4.302400793998796,4.287826128120089,first
+280,6.54,95,3.254318106553693e+17,1.62,0.4824261492442928,104.7,Ring,Acid,0,0.6156767782664596,0.4091385541270933,6.16,3.7634262852657017,2.299910169033901,1.4048265361999865,0.8598139127737519,0.525221961874088,0.32137493377710064,0.19632969311418028,0.12012272884324982,0.07338962678079347,0.044915492453293945,1.33,1.33,1.33,1.33,1.33,1.33,1.33,1.33,1.33,1.33,1.33,2.35,2.35,2.35,2.35,2.35,2.35,2.35,2.35,2.35,2.35,2.35,first
+278,11.69,90,1.1234788571591725e+17,1.19,0.17395330712343798,149.8,Unknown,Acid,1,1.3786663629657863,1.0433522191447455,4.95,4.6850464246805945,4.685356965774595,4.6856223609767005,4.685296625567247,4.6851630428041995,4.685272081644129,4.685527233710604,4.685308989119803,4.685251410813812,4.685312373375223,0.24,0.10752321234029709,0.10767848288729796,0.10781118048835113,0.10764831278362406,0.10758152140210046,0.10763604082206558,0.10776361685530304,0.10765449455990246,0.10762570540690702,0.10765618668761281,2.99,3.122476787659703,3.122321517112703,3.12218881951165,3.122351687216377,3.1224184785979006,3.1223639591779357,3.122236383144698,3.122345505440099,3.122374294593094,3.122343813312389,third
+272,12.63,91,3.983184764295715e+17,2.89,1.0612565021243408,170.6,Ring,Enzyme,0,1.3305756687409394,1.0177100305703997,2.07,0.38390912235909175,0.21176151939325688,0.14617836391826133,0.11151297564468454,0.09020157214646636,0.07569510642228451,0.0652782568347333,0.05730317039798561,0.05108883974613538,0.04609492607399456,4.91,4.91,4.91,4.91,4.91,4.91,4.91,4.91,4.91,4.91,4.91,2.63,3.473045438820454,3.5591192403033713,3.591910818040869,3.6092435121776574,3.6198992139267667,3.6271524467888576,3.6323608715826334,3.6363484148010072,3.639455580126932,3.641952536963003,second
+273,2.45,99,2.694181721481649e+17,4.97,1.6034198401085373,190.9,Branched,Base,0,0.030726327602738787,0.020439282384501982,5.67,5.645418937917809,5.620837875835617,5.596256813753427,5.571675751671235,5.547094689589044,5.522513627506854,5.497932565424662,5.473351503342472,5.44877044126028,5.424189379178089,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,4.45,4.4745810620821915,4.499162124164383,4.523743186246573,4.548324248328765,4.572905310410956,4.5974863724931465,4.622067434575338,4.646648496657528,4.67122955873972,4.695810620821911,zero
+279,3.33,91,1.889447569717715e+17,2.55,0.9360933591703348,145.8,Branched,Base,0,1.732266510834259,0.8671089265137477,1.98,0.5941867913325922,-0.7916264173348139,-2.1774396260022213,-3.5632528346696297,-4.9490660433370355,-6.334879252004446,-7.720692460671853,-9.10650566933926,-10.492318878006671,-11.878132086674078,0.44,0.44,0.44,0.44,0.44,0.44,0.44,0.44,0.44,0.44,0.44,3.91,5.295813208667408,6.681626417334814,8.067439626002221,9.45325283466963,10.839066043337036,12.224879252004445,13.610692460671853,14.99650566933926,16.38231887800667,17.76813208667408,zero
+280,1.11,97,2.19550478025708e+17,3.58,1.275362800412609,110.7,Unknown,None,1,0.17591752690963874,0.1337671077690576,2.07,1.4450225196886082,1.414156341968062,1.41169720864509,1.4115287948001118,1.4124201468317779,1.4108737820891881,1.4107231063013215,1.4131903193807729,1.4132062969179051,1.412002454146469,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,3.48,3.688325826770464,3.6986145526773124,3.69943426378497,3.6994904017332964,3.6991932843894073,3.6997087393036043,3.6997589645662265,3.698936560206409,3.6989312343606984,3.6993325152845102,third
+278,9.51,100,2.9542801635588634e+17,2.45,0.8960880245566357,127.6,Unknown,Base,0,0.04789985593149588,0.0412633204355553,3.56,2.7965738751933493,2.3046037582902072,1.9579908130608565,1.704731119904985,1.5084917831654336,1.3517649610895788,1.2254497291340354,1.1213723336065686,1.0329407479481618,0.9571674571399057,4.05,4.05,4.05,4.05,4.05,4.05,4.05,4.05,4.05,4.05,4.05,3.41,3.7917130624033253,4.0376981208548965,4.211004593469572,4.337634440047508,4.435754108417283,4.514117519455211,4.577275135432982,4.629313833196716,4.673529626025919,4.711416271430047,second
+279,12.73,100,3.177663704181782e+17,2.43,0.8878912573524571,137.4,Ring,Acid,1,0.06016425640943493,0.045407727655227256,5.04,4.456015497350123,4.055904051472696,3.7704973519205374,3.5628326196017497,3.4062567318616574,3.287023457979434,3.1960460126917933,3.1254184712743536,3.0698708000879957,3.0262734484535074,3.17,2.5860154973501226,2.1859040514726953,1.9004973519205368,1.692832619601749,1.5362567318616571,1.4170234579794334,1.326046012691793,1.2554184712743528,1.1998708000879952,1.1562734484535069,1.56,2.1439845026498774,2.5440959485273047,2.829502648079463,3.037167380398251,3.193743268138343,3.3129765420205666,3.403953987308207,3.474581528725647,3.530129199912005,3.573726551546493,second
+278,8.55,95,3.65699544285331e+17,1.09,0.08617769624105241,58.0,Linear,Base,0,0.5158373936719167,0.40182167299954935,7.68,1.048546900169132,0.563551056911426,0.3851578111269932,0.2922823639788421,0.23580267778829475,0.19737488403961087,0.16999010183438495,0.1490702386894525,0.13275879415346709,0.11967437662910066,0.97,0.97,0.97,0.97,0.97,0.97,0.97,0.97,0.97,0.97,0.97,0.08,3.3957265499154343,3.6382244715442873,3.7274210944365036,3.773858818010579,3.8020986611058527,3.8213125579801943,3.8350049490828075,3.8454648806552734,3.8536206029232662,3.8601628116854494,second
+280,10.69,98,1.8701046752027978e+17,2.33,0.8458682675776092,65.0,Ring,Enzyme,0,0.09751728835478705,0.08306177662610499,8.1,8.02198616931617,7.94397233863234,7.865958507948512,7.787944677264682,7.7099308465808525,7.631917015897023,7.553903185213193,7.475889354529364,7.397875523845534,7.319861693161704,4.45,4.45,4.45,4.45,4.45,4.45,4.45,4.45,4.45,4.45,4.45,2.57,2.6480138306838295,2.726027661367659,2.804041492051489,2.8820553227353187,2.9600691534191483,3.038082984102978,3.1160968147868076,3.194110645470637,3.2721244761544668,3.3501383068382964,zero
+279,6.55,96,3.521668700718358e+17,1.37,0.3148107398400336,76.7,Branched,Enzyme,1,0.3740157515606908,0.21649842755561524,5.13,1.5169890056058906,1.1995001899131161,1.1384787768681277,1.1253960355565815,1.1226999196349186,1.1221352575768948,1.1216627100691863,1.1219840547979418,1.1219523090380477,1.1218797090887485,4.42,4.42,4.42,4.42,4.42,4.42,4.42,4.42,4.42,4.42,4.42,0.17,1.9765054971970546,2.1352499050434415,2.165760611565936,2.172301982221709,2.1736500401825403,2.1739323712115524,2.1741686449654067,2.174007972601029,2.174023845480976,2.1740601454556256,second
+271,7.05,92,2.1830555446005056e+17,1.77,0.5709795465857378,71.1,Branched,None,1,0.40330296187575093,0.3616838416514585,3.87,3.895843483130386,3.909963492746902,3.9146594526771588,3.918326268820008,3.9214147851561156,3.9225129714067557,3.9228458754495317,3.9235022805874866,3.923826386855753,3.9239726411354456,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,4.43,4.404156516869613,4.390036507253098,4.385340547322841,4.381673731179991,4.378585214843883,4.377487028593244,4.377154124550468,4.376497719412513,4.376173613144247,4.376027358864554,first
+275,13.43,94,1.2324956447146138e+17,3.32,1.199964782928397,80.4,Branched,Base,0,0.17194551673339326,0.12868064017789493,3.63,1.8244243606187085,1.2154470292778154,0.9124583374463922,0.729534935775441,0.6082744318505311,0.5209596628815231,0.4562507231670795,0.40555161561573844,0.3648496840103739,0.33157930928198476,2.51,2.51,2.51,2.51,2.51,2.51,2.51,2.51,2.51,2.51,2.51,3.8,4.702787819690646,5.007276485361092,5.1587708312768035,5.250232532112279,5.310862784074734,5.354520168559238,5.38687463841646,5.41222419219213,5.432575157994813,5.449210345359007,second
+273,13.32,98,1.730639576034299e+17,1.41,0.34358970439007686,131.6,Linear,Enzyme,1,0.030664295426645338,0.022498997544587698,9.74,6.6371050155699916,5.082929365654008,4.163887219038635,3.5703089179593137,3.1578228022711214,2.861526048428826,2.6437560218751415,2.476790192334346,2.348291411263875,2.2481745327742164,2.04,2.04,2.04,2.04,2.04,2.04,2.04,2.04,2.04,2.04,2.04,0.68,2.231447492215004,3.0085353171729956,3.4680563904806823,3.764845541020343,3.971088598864439,4.1192369757855865,4.228121989062429,4.311604903832826,4.375854294368062,4.425912733612891,second
+280,11.84,100,3.15028772636446e+17,3.6,1.2809338454620642,97.6,Branched,None,1,0.06957414448129247,0.03897861752515805,6.75,5.772142672420138,5.1848434171939335,4.806085277667631,4.551368638677878,4.373916631953547,4.249483942885082,4.1593575851135975,4.093967469116631,4.046777360718959,4.011924183829131,3.65,2.6721426724201383,2.084843417193934,1.7060852776676305,1.4513686386778772,1.2739166319535469,1.149483942885082,1.0593575851135975,0.9939674691166307,0.9467773607189591,0.91192418382913,2.83,3.8078573275798617,4.395156582806066,4.7739147223323695,5.028631361322121,5.206083368046452,5.3305160571149175,5.420642414886402,5.486032530883368,5.53322263928104,5.568075816170868,second
+275,6.67,100,1.463459685024788e+17,4.45,1.4929040961781488,152.3,Ring,None,0,0.014800629670461083,0.00818891030419824,1.2,1.0925094990913364,1.0038609043515252,0.9290876592529669,0.8653063930478032,0.8105713946208083,0.7631105362615923,0.7213252736646021,0.6837922632748913,0.6498727622574946,0.6193056944235424,3.49,3.4362547495456686,3.3919304521757625,3.3545438296264836,3.322653196523902,3.2952856973104043,3.2715552681307964,3.2506626368323013,3.2318961316374457,3.2149363811287475,3.1996528472117713,0.3,0.35374525045433164,0.39806954782423726,0.4354561703735164,0.46734680347609825,0.4947143026895957,0.5184447318692037,0.5393373631676988,0.5581038683625542,0.5750636188712526,0.5903471527882286,third
+278,7.25,97,4.64715807767996e+16,4.77,1.5623463049002497,155.2,Branched,Enzyme,0,0.0275913848321014,0.01606020027785372,2.53,1.9065217291442942,1.560381354430764,1.3272864075782318,1.160780881460867,1.034184862287992,0.9355893126612642,0.8557748977749652,0.7888448215630981,0.7323700578716364,0.6839768846459676,3.1,2.7882608645721474,2.6151906772153826,2.498643203789116,2.415390440730434,2.3520924311439964,2.3027946563306325,2.262887448887483,2.2294224107815492,2.201185028935819,2.176988442322984,1.65,1.9617391354278526,2.1348093227846174,2.251356796210884,2.334609559269566,2.3979075688560036,2.4472053436693675,2.487112551112517,2.5205775892184508,2.548814971064181,2.573011557677016,third
+280,3.12,94,3.5613554521977824e+16,4.94,1.5973653311998313,28.2,Linear,Enzyme,0,0.10353021509385993,0.06127348257487177,8.3,6.304094539541758,5.36109414935779,4.832830544796504,4.509657678142546,4.299086753983631,4.15804888469085,4.0607053859030176,3.99244460344854,3.944369611751939,3.909849265400974,4.48,2.4840945395417573,1.541094149357789,1.012830544796504,0.6896576781425463,0.4790867539836312,0.3380488846908505,0.24070538590301765,0.17244460344853957,0.12436961175193856,0.08984926540097352,4.91,6.905905460458243,7.848905850642211,8.377169455203497,8.700342321857454,8.91091324601637,9.051951115309151,9.149294614096984,9.217555396551463,9.265630388248063,9.300150734599029,second
+271,11.75,96,6.075757965828265e+16,1.98,0.6830968447064438,125.5,Unknown,Acid,0,0.019017273318581163,0.012844617416313226,6.38,2.9417802131436916,2.200916875027714,1.8334720636571737,1.6055607059611552,1.4444544889633901,1.3241928091553505,1.2305620613078794,1.1535258102820027,1.0892815289943563,1.0346981482893125,0.79,0.79,0.79,0.79,0.79,0.79,0.79,0.79,0.79,0.79,0.79,1.8,2.9460732622854366,3.1930277083240957,3.315509312114276,3.3914797646796155,3.445181837012204,3.4852690636148838,3.5164793128973746,3.542158063239333,3.5635728236685487,3.581767283903563,third
+273,3.48,100,8.282908919458442e+16,4.12,1.415853163361435,164.7,Branched,Acid,1,0.006080286856225543,0.0038428307021855642,3.97,3.965249162515213,3.9605358902151555,3.9558598860882626,3.951220855449993,3.9466185059368235,3.9420525475013357,3.9375226924032996,3.9330286551853635,3.928570152627648,3.9241469037457133,1.56,1.56,1.56,1.56,1.56,1.56,1.56,1.56,1.56,1.56,1.56,4.73,4.734750837484788,4.739464109784845,4.7441401139117385,4.748779144550007,4.753381494063177,4.757947452498665,4.7624773075967015,4.766971344814637,4.771429847372353,4.775853096254288,first
+280,11.17,93,3.377606065203554e+17,0.65,-0.4307829160924542,160.7,Unknown,Base,0,1.5087587911740954,1.1617587068969855,7.09,5.581424365474121,5.580001685086079,5.579999766462232,5.57999908348953,5.5799993182211285,5.579999766191194,5.57999919661915,5.579999852308664,5.58000014637934,5.580000254071605,1.51,0.0014243654741209896,1.6850860787456984e-06,-2.335377673706393e-07,-9.165104693456149e-07,-6.817788705607851e-07,-2.338088053977753e-07,-8.033808483553356e-07,-1.4769133480314117e-07,1.4637934066535084e-07,2.5407160628888943e-07,1.6,3.1085756345258786,3.109998314913921,3.1100002335377672,3.1100009165104696,3.1100006817788706,3.1100002338088055,3.1100008033808484,3.110000147691335,3.1099998536206597,3.1099997459283943,second
+273,9.42,98,3.94222410042526e+17,4.86,1.5810384379124025,105.1,Unknown,Acid,0,0.06985020227636672,0.046154755995396146,3.34,1.8856791957041081,1.3962956911841204,1.1341899129866988,0.9657328936413561,0.8462731419904008,0.7561162058504936,0.6860726863407722,0.6290509557754018,0.5815331844798857,0.5414064240826859,2.53,1.802839597852054,1.55814784559206,1.4270949564933493,1.342866446820678,1.2831365709952003,1.2380581029252467,1.2030363431703859,1.1745254778877006,1.1507665922399426,1.1307032120413427,1.37,2.097160402147946,2.34185215440794,2.4729050435066506,2.5571335531793222,2.6168634290047996,2.6619418970747533,2.696963656829614,2.725474522112299,2.749233407760057,2.769296787958657,third
+278,11.49,97,3.330653085352484e+17,1.12,0.11332868530700327,165.8,Branched,None,1,0.19774952666569273,0.15075313839781979,9.65,1.7725686379124295,1.759022121728996,1.758615916196827,1.7607799649532807,1.758948421885038,1.758035780148999,1.761163872605023,1.7583682052729148,1.7587332462544998,1.7609620120189442,2.98,2.98,2.98,2.98,2.98,2.98,2.98,2.98,2.98,2.98,2.98,4.51,7.1358104540291905,7.140325959423668,7.140461361267725,7.13974001168224,7.140350526038322,7.140654739950335,7.139612042464994,7.140543931575697,7.140422251248502,7.139679329327021,third
+279,11.4,100,2.2334722842511853e+17,4.77,1.5623463049002497,116.4,Linear,Acid,0,0.0422874198475496,0.02676852382455543,9.84,9.512681218572363,9.196250422766775,8.890345402180001,8.594614934898651,8.30872141175319,8.032338734501632,7.765150723096614,7.506851115685395,7.257143568609852,7.015741656406485,0.96,0.96,0.96,0.96,0.96,0.96,0.96,0.96,0.96,0.96,0.96,0.79,0.79,0.79,0.79,0.79,0.79,0.79,0.79,0.79,0.79,0.79,first
+279,9.96,97,3.3847607037767296e+16,2.88,1.0577902941478545,50.9,Unknown,Enzyme,1,0.02335832365469518,0.017799031288209113,4.23,3.896703453728655,3.6164934541769873,3.37778028547916,3.173159386345692,2.9972868432656816,2.8452686545344914,2.712660730253746,2.595468892331332,2.491064523987244,2.3985119610592647,4.94,4.606703453728655,4.326493454176987,4.08778028547916,3.8831593863456915,3.707286843265681,3.555268654534491,3.4226607302537455,3.305468892331332,3.201064523987244,3.1085119610592646,1.83,2.1632965462713454,2.443506545823013,2.6822197145208406,2.8868406136543086,3.062713156734319,3.214731345465509,3.3473392697462545,3.4645311076686687,3.5689354760127565,3.661488038940736,second
+276,8.05,95,4.9461913977362157e+17,1.77,0.5709795465857378,150.2,Unknown,Acid,0,0.5179729284283779,0.2675117122284697,3.79,3.3756216572572977,2.9612433145145953,2.546864971771893,2.1324866290291906,1.718108286286488,1.3037299435437852,0.8893516008010822,0.4749732580583794,0.06059491531567707,-0.3537834274270266,4.35,4.35,4.35,4.35,4.35,4.35,4.35,4.35,4.35,4.35,4.35,0.99,1.4043783427427023,1.818756685485405,2.2331350282281073,2.6475133709708096,3.0618917137135124,3.4762700564562152,3.890648399198918,4.305026741941621,4.719405084684324,5.133783427427026,zero
+280,9.7,96,3.684632642127452e+17,1.58,0.4574248470388755,184.7,Branched,Acid,1,0.4536573406523686,0.26801046588505506,9.57,1.2071327710631592,1.2004976293632788,1.2003447838988888,1.201531631577413,1.2002277098658707,1.2024482282214015,1.199845860558916,1.201711982267941,1.1997410759996328,1.2014172681626263,2.32,2.32,2.32,2.32,2.32,2.32,2.32,2.32,2.32,2.32,2.32,0.14,2.9276224096456147,2.9298341235455747,2.929885072033705,2.929489456140864,2.9299240967113778,2.929183923926201,2.930051379813696,2.9294293392440207,2.9300863080001234,2.9295275772791256,third
+273,4.23,99,1.926027343169019e+17,2.83,1.0402767116551463,97.4,Branched,Acid,1,0.02196575926790058,0.011458229570195454,9.32,7.0936916945353685,5.775189693640549,4.9024518979640135,4.294786927655905,3.845372377237212,3.50889889092962,3.249510358659631,3.042429818474354,2.8769317200520392,2.743043083167815,3.38,3.38,3.38,3.38,3.38,3.38,3.38,3.38,3.38,3.38,3.38,4.55,5.663154152732315,6.322405153179726,6.758774051017993,7.062606536172047,7.287313811381393,7.455550554535189,7.585244820670184,7.688785090762822,7.77153413997398,7.838478458416092,second
+270,1.45,97,3.9590042919447635e+17,4.28,1.4539530095937054,74.2,Branched,Enzyme,0,0.06778445845765137,0.04525251712462595,3.9,2.7410666640836,2.124480525534407,1.7276179398352645,1.4553128315855488,1.2570042959579322,1.1078105927850252,0.9891665266093832,0.8932926363921754,0.8146424916042622,0.7486917909761974,4.03,4.03,4.03,4.03,4.03,4.03,4.03,4.03,4.03,4.03,4.03,3.32,3.8994666679581997,4.207759737232797,4.4061910300823675,4.5423435842072255,4.641497852021034,4.716094703607488,4.775416736695309,4.823353681803913,4.862678754197869,4.895654104511902,second
+274,7.11,100,3.47182558972369e+17,2.69,0.9895411936137477,190.8,Unknown,None,0,0.029931752425967614,0.019396951631998352,5.11,4.745343872432194,4.441832074718301,4.185125059675095,3.9663411181851393,3.7781918810348345,3.614418085302133,3.469813777065329,3.3414364701181523,3.2271681566656736,3.1248824463215414,3.28,2.915343872432194,2.611832074718301,2.3551250596750952,2.1363411181851393,1.9481918810348344,1.784418085302133,1.6398137770653285,1.5114364701181517,1.3971681566656733,1.2948824463215414,0.66,1.024656127567806,1.3281679252816991,1.5848749403249047,1.8036588818148607,1.9918081189651655,2.155581914697867,2.3001862229346717,2.428563529881848,2.542831843334327,2.645117553678459,second
+279,10.31,96,1.0317319406835494e+17,3.16,1.1505720275988207,89.5,Branched,Base,0,0.1095741905322367,0.06279439591370398,6.26,1.4572820371206758,0.9184192942685213,0.6851570355549453,0.5508632976066306,0.4625601340949277,0.39965126268875567,0.352756791588296,0.31571057170771877,0.2859763425294514,0.26152687124523943,4.86,2.4586410185603382,2.1892096471342612,2.072578517777473,2.0054316488033157,1.9612800670474642,1.9298256313443782,1.9063783957941483,1.8878552858538598,1.872988171264726,1.8607634356226201,4.2,6.601358981439663,6.870790352865741,6.987421482222528,7.054568351196686,7.0987199329525374,7.130174368655624,7.153621604205853,7.172144714146142,7.187011828735276,7.199236564377382,third
+272,10.0,100,1.9896469209471107e+17,2.25,0.8109302162163288,37.2,Branched,None,0,0.012421403150523383,0.011042105354362291,3.4,3.333868332630231,3.271116378620811,3.2114967107320536,3.1547835357370015,3.100777590353038,3.0492961941083974,3.0001702843485223,2.9532444162360614,2.90837676275087,2.8654391146900116,2.01,1.943868332630231,1.881116378620811,1.8214967107320534,1.7647835357370016,1.710777590353038,1.6592961941083975,1.6101702843485224,1.5632444162360613,1.5183767627508702,1.4754391146900117,3.45,3.516131667369769,3.5788836213791893,3.6385032892679465,3.6952164642629985,3.749222409646962,3.8007038058916027,3.849829715651478,3.8967555837639387,3.94162323724913,3.9845608853099885,second
+271,4.62,90,2.4454614077896573e+17,3.22,1.169381359556317,195.1,Ring,Acid,0,1.097581707509789,0.9452830058937168,3.27,2.391934633992169,1.513869267984338,0.6358039019765067,-0.24226146403132431,-1.1203268300391551,-1.9983921960469875,-2.876457562054818,-3.7545229280626495,-4.63258829407048,-5.5106536600783125,1.08,1.08,1.08,1.08,1.08,1.08,1.08,1.08,1.08,1.08,1.08,3.59,4.46806536600783,5.346130732015661,6.2241960980234925,7.102261464031324,7.9803268300391546,8.858392196046987,9.736457562054817,10.614522928062648,11.49258829407048,12.370653660078311,zero
+274,8.31,90,3.923410453870061e+17,0.85,-0.16251892949777494,34.1,Ring,Enzyme,0,2.726971285850828,1.847818566140789,7.03,0.7943944010048734,0.089776456736301,0.010155157207509619,0.001149983062509249,0.00013032337482281315,1.4595047961040885e-05,1.7653040970522482e-06,2.2539822239605112e-07,-2.1978337111627383e-07,2.39917082013907e-07,3.59,3.59,3.59,3.59,3.59,3.59,3.59,3.59,3.59,3.59,3.59,3.69,9.925605598995126,10.630223543263698,10.70984484279249,10.71885001693749,10.719869676625176,10.719985404952038,10.719998234695902,10.719999774601776,10.72000021978337,10.719999760082917,first
+270,9.88,90,3.779751766639227e+17,3.76,1.324418957401803,121.8,Unknown,Enzyme,0,1.4631463065638068,0.9203973859050021,4.59,1.4261339470184713,0.44265439353073266,0.13737924040902905,0.04266478190547004,0.013261670651930908,0.0041218650639255104,0.0012795935306793775,0.0003971252047950851,0.00012325075237229396,3.851865060040967e-05,0.42,0.42,0.42,0.42,0.42,0.42,0.42,0.42,0.42,0.42,0.42,3.9,3.9,3.9,3.9,3.9,3.9,3.9,3.9,3.9,3.9,3.9,first
+272,3.8,99,1.450159067737198e+17,3.43,1.2325602611778486,143.6,Unknown,Enzyme,0,0.014088226960796082,0.01153426918444706,1.98,1.8252151405965364,1.6974461739489497,1.5893844367906693,1.4964920042194902,1.4163268957917992,1.3466342689152764,1.2853061121725882,1.2303812453213832,1.180065667538382,1.1339659329192142,1.94,1.862607570298268,1.7987230869744748,1.7446922183953346,1.6982460021097452,1.6581634478958995,1.6233171344576383,1.5926530560862941,1.5651906226606915,1.540032833769191,1.5169829664596073,1.0,1.0773924297017319,1.1412769130255251,1.1953077816046653,1.2417539978902548,1.2818365521041004,1.3166828655423617,1.3473469439137058,1.3748093773393084,1.3999671662308089,1.4230170335403927,third
+270,8.56,95,2.5200474958600202e+17,0.91,-0.09431067947124129,133.3,Branched,Acid,0,0.10516957481217132,0.0883508255516893,8.5,7.158339791590429,6.5197910596895206,6.177491315581681,5.982937750749764,5.867931364320443,5.7991615269421075,5.757085223245186,5.7314612585726294,5.7155929630189855,5.705861615461634,2.81,1.4683397915904306,0.8297910596895213,0.48749131558168135,0.29293775074976536,0.17793136432044432,0.10916152694210884,0.0670852232451875,0.04146125857263191,0.025592963018987176,0.015861615461636138,2.9,4.241660208409569,4.880208940310479,5.222508684418318,5.417062249250234,5.532068635679556,5.600838473057891,5.642914776754813,5.668538741427369,5.684407036981013,5.694138384538364,second
+270,10.33,98,4.5277852573557875e+17,3.21,1.1662709371419244,152.5,Ring,None,1,0.04965481432983808,0.04195903730724938,4.57,3.968908484671597,3.7313885230210753,3.6193588419137623,3.562521906636344,3.532625608768395,3.516342241509141,3.507675828602023,3.5027991495650763,3.5001851540422306,3.4988008255947856,0.68,0.3794542423357984,0.2606942615105376,0.2046794209568811,0.17626095331817218,0.1613128043841977,0.15317112075457057,0.14883791430101143,0.14639957478253826,0.14509257702111553,0.14440041279739285,1.54,1.8405457576642017,1.9593057384894625,2.0153205790431192,2.043739046681828,2.0586871956158026,2.06682887924543,2.071162085698989,2.0736004252174625,2.074907422978885,2.0755995872026074,third
+270,13.47,90,2.6719403568581123e+17,1.09,0.08617769624105241,91.2,Branched,Enzyme,0,1.0343112209116878,0.8224273462534195,4.3,0.5312338006171403,0.28343135733666813,0.19322080418008786,0.14646065429491867,0.11797632464592862,0.09875998617100788,0.08498343372421778,0.07448700851569996,0.06634873087636403,0.05982125453334691,0.94,0.94,0.94,0.94,0.94,0.94,0.94,0.94,0.94,0.94,0.94,3.98,5.8643830996914295,5.988284321331665,6.033389597909956,6.05676967285254,6.071011837677035,6.080620006914495,6.087508283137891,6.092756495742149,6.096825634561817,6.100089372733326,second
+279,1.38,92,2.6777290498896157e+17,3.94,1.3711807233098425,155.9,Branched,Enzyme,0,1.5952134422031528,1.1542449483426633,7.08,0.37244000681112427,0.19142973149594839,0.12878297394876412,0.09699228593022673,0.07777530846226074,0.06495972834628164,0.05575705592297323,0.04880035890369917,0.04344102914348513,0.039136087826805166,1.69,1.69,1.69,1.69,1.69,1.69,1.69,1.69,1.69,1.69,1.69,2.08,5.4337799965944376,5.524285134252025,5.555608513025617,5.571503857034886,5.581112345768869,5.587520135826859,5.592121472038512,5.595599820548149,5.5982794854282565,5.600431956086597,second
+274,6.6,98,3.298000643486692e+17,4.5,1.5040773967762742,54.7,Unknown,Enzyme,0,0.06840903996175784,0.04785362025019577,8.44,7.240310787452955,6.533016853202357,6.081919609198357,5.77677753446029,5.56490562172675,5.413563584478814,5.303266258414481,5.222713551354839,5.162801789129548,5.1179861360192405,3.46,2.2603107874529553,1.5530168532023574,1.1019196091983567,0.7967775344602903,0.5849056217267505,0.4335635844788146,0.32326625841448126,0.24271355135483946,0.18280178912954875,0.13798613601924065,1.48,2.6796892125470446,3.3869831467976423,3.838080390801643,4.14322246553971,4.355094378273249,4.506436415521186,4.616733741585519,4.697286448645161,4.757198210870452,4.8020138639807595,second
+278,4.02,90,1.562426982258854e+17,4.37,1.4747630091074988,132.6,Linear,Base,0,1.917317367660297,1.627097127155967,1.82,0.2099970845877524,0.1178653975299942,0.0824992862473596,0.06363410663092586,0.051872588882452046,0.04378060191921018,0.03788499939101303,0.03343837698910851,0.02989820152183892,0.0270362140331604,2.05,1.244998542293876,1.1989326987649969,1.1812496431236796,1.1718170533154628,1.1659362944412257,1.1618903009596049,1.1589424996955064,1.156719188494554,1.1549491007609194,1.15351810701658,4.17,4.975001457706123,5.021067301235002,5.038750356876319,5.048182946684536,5.0540637055587725,5.058109699040393,5.061057500304492,5.063280811505444,5.065050899239078,5.0664818929834174,third
+274,5.08,99,1.593282959365394e+17,1.98,0.6830968447064438,39.1,Ring,Base,0,0.02130646560515619,0.018618882205572874,8.71,8.692954827515877,8.675909655031752,8.658864482547626,8.641819310063502,8.624774137579378,8.607728965095253,8.590683792611127,8.573638620127003,8.556593447642877,8.539548275158753,2.36,2.36,2.36,2.36,2.36,2.36,2.36,2.36,2.36,2.36,2.36,3.59,3.607045172484125,3.6240903449682498,3.641135517452375,3.6581806899364997,3.675225862420625,3.69227103490475,3.709316207388875,3.726361379873,3.7434065523571247,3.76045172484125,zero
+275,11.03,92,1.445957149253829e+17,2.36,0.8586616190375187,140.8,Linear,Acid,0,0.4837966954886745,0.3365621464190648,5.14,0.4707079523631024,0.2656718317446709,0.18675277225797537,0.1445140075562918,0.11802398863440067,0.09982215293313935,0.08647626333120664,0.07640789996880498,0.06840060411521563,0.06190286772575315,4.52,2.1853539761815512,2.082835915872336,2.043376386128988,2.0222570037781464,2.0090119943172007,1.99991107646657,1.9932381316656036,1.9882039499844026,1.984200302057608,1.9809514338628769,1.18,3.5146460238184485,3.617164084127664,3.656623613871012,3.6777429962218537,3.6909880056827995,3.70008892353343,3.7067618683343966,3.7117960500155975,3.715799697942392,3.7190485661371233,third
+276,13.25,92,1.7104231004963754e+17,2.19,0.7839015438284094,91.3,Branched,Acid,0,0.6621067722597765,0.38921425484796435,4.79,2.819499660834384,1.6603758665509873,0.9776265231020178,0.5761237498105442,0.3394712240973586,0.1998785374041594,0.11786555063194787,0.06935284782912064,0.04091597746379913,0.024091724867419763,1.93,1.93,1.93,1.93,1.93,1.93,1.93,1.93,1.93,1.93,1.93,3.51,3.51,3.51,3.51,3.51,3.51,3.51,3.51,3.51,3.51,3.51,first
+274,12.18,95,2.2615967133671462e+17,2.48,0.9082585601768908,49.3,Ring,Acid,1,0.17506958273477471,0.13345431968164664,8.24,4.886455069743962,4.8535330870927815,4.852779086462793,4.852842325953988,4.852991220183828,4.852967674216406,4.852790619997475,4.852633726213509,4.852543092682028,4.852789952727411,1.82,0.1432275348719817,0.12676654354639133,0.12638954323139687,0.12642116297699443,0.12649561009191468,0.12648383710820366,0.1263953099987389,0.1263168631067558,0.12627154634101512,0.12639497636370664,2.21,3.886772465128019,3.9032334564536093,3.9036104567686034,3.903578837023006,3.903504389908086,3.903516162891797,3.9036046900012624,3.9036831368932456,3.903728453658986,3.9036050236362945,third
+270,10.34,92,1.1087264452702232e+17,1.98,0.6830968447064438,94.4,Ring,Enzyme,1,0.17608065668051665,0.14020510555230026,7.16,6.572115328841558,6.115698884061837,5.760031385966119,5.484255955012552,5.271972284246472,5.107730541821601,4.978597070138995,4.878218058516763,4.8006398876395835,4.740445497871152,1.15,1.15,1.15,1.15,1.15,1.15,1.15,1.15,1.15,1.15,1.15,3.06,3.6478846711584434,4.1043011159381635,4.4599686140338815,4.735744044987449,4.948027715753529,5.1122694581784,5.241402929861006,5.341781941483237,5.419360112360417,5.479554502128849,first
+279,10.47,91,2.616758373304311e+17,1.34,0.29266961396282004,46.8,Unknown,Enzyme,1,2.3990731310408435,1.8693829580066263,1.43,1.3322995301444744,1.332592001602959,1.3329334249501748,1.333319379395342,1.3337222929830612,1.3340648630096645,1.3342130080011967,1.3340060395926356,1.3335284071021258,1.3333862377212782,1.54,1.4911497650722374,1.4912960008014802,1.491466712475088,1.4916596896976715,1.4918611464915308,1.4920324315048326,1.492106504000599,1.4920030197963183,1.4917642035510634,1.4916931188606397,3.35,3.3988502349277625,3.39870399919852,3.3985332875249123,3.3983403103023284,3.3981388535084682,3.397967568495167,3.397893495999401,3.397996980203682,3.3982357964489363,3.39830688113936,third
+279,1.7,98,4.836211061762264e+17,1.0,0.0,69.5,Ring,Acid,0,0.2168658924198711,0.14214544691441627,4.93,4.756507286064103,4.583014572128206,4.409521858192309,4.2360291442564115,4.062536430320515,3.8890437163846174,3.715551002448721,3.542058288512824,3.3685655745769267,3.19507286064103,0.09,0.09,0.09,0.09,0.09,0.09,0.09,0.09,0.09,0.09,0.09,2.14,2.313492713935897,2.486985427871794,2.660478141807691,2.833970855743588,3.0074635696794845,3.180956283615382,3.3544489975512786,3.5279417114871756,3.7014344254230727,3.8749271393589693,zero
+277,11.94,100,4.3569460112672403e+17,2.8,1.0296194171811581,92.6,Branched,Enzyme,0,0.060426904635312695,0.044891644565783234,8.31,1.8159793920456044,1.2989785436629007,1.0655117609769182,0.9243511294590874,0.8281296999808686,0.7561325923262361,0.7007634867809237,0.6560430755319868,0.6185681883814803,0.5868610004604284,3.89,3.89,3.89,3.89,3.89,3.89,3.89,3.89,3.89,3.89,3.89,1.27,3.4346735359847984,3.607007152112366,3.6848294130076935,3.7318829568469707,3.763956766673043,3.7879558025579207,3.806412171073025,3.8213189748226704,3.8338106038728395,3.84437966651319,third
+273,13.2,96,3.0956189671290824e+16,0.76,-0.2744368457017603,198.8,Branched,Base,0,0.013239117442948981,0.011886184623598181,5.33,5.286811253025181,5.24629653312362,5.208256851251448,5.172509829488566,5.138895725156118,5.107266741732466,5.077485390128633,5.049424488688305,5.022967163187831,4.998006846836218,0.79,0.7468112530251813,0.7062965331236197,0.6682568512514475,0.6325098294885648,0.5988957251561171,0.5672667417324652,0.5374853901286325,0.5094244886883047,0.48296716318782984,0.458006846836218,1.7,1.7431887469748188,1.7837034668763803,1.8217431487485527,1.8574901705114353,1.891104274843883,1.922733258267535,1.9525146098713677,1.9805755113116954,2.0070328368121704,2.031993153163782,second
+274,2.12,92,4.7270335229765146e+17,2.74,1.007957920399979,62.1,Unknown,Enzyme,0,1.3655794956780447,1.0863952230539777,6.53,2.193025779275802,0.7364250534921093,0.2471742066729704,0.08295232144587046,0.027841788970028977,0.009347085258104171,0.0031390123043693033,0.0010544478572759172,0.0003542578749681939,0.0001190564584321984,2.24,2.24,2.24,2.24,2.24,2.24,2.24,2.24,2.24,2.24,2.24,3.42,3.42,3.42,3.42,3.42,3.42,3.42,3.42,3.42,3.42,3.42,first
+274,4.67,96,2.2716404688292886e+17,4.81,1.5706970841176697,82.0,Ring,Base,1,0.11336810093274043,0.07997237105756051,3.97,2.4332884716205427,2.0549526437226384,1.8898767601335256,1.8050812269320091,1.758393217046159,1.7311412394966736,1.7153759123651138,1.705933826213375,1.7001820925362754,1.6968033140819005,1.43,0.6616442358102712,0.472476321861319,0.3899383800667626,0.34754061346600446,0.32419660852307935,0.3105706197483366,0.3026879561825567,0.2979669131066873,0.2950910462681374,0.29340165704095,0.04,0.8083557641897289,0.9975236781386811,1.0800616199332373,1.1224593865339954,1.1458033914769206,1.1594293802516633,1.1673120438174434,1.1720330868933126,1.1749089537318624,1.1765983429590499,third
+276,11.17,96,4.487969790878225e+17,4.98,1.6054298910365616,66.2,Ring,Base,0,0.30396479855920955,0.25342430959537965,8.96,0.8260438889942485,0.5852193292261981,0.4781434435340198,0.4145552152683416,0.3705795096874371,0.3384477858445885,0.31349681554227266,0.2931702976950503,0.27637068546197385,0.2621604769335663,2.54,2.54,2.54,2.54,2.54,2.54,2.54,2.54,2.54,2.54,2.54,1.3,4.011318703668584,4.091593556924601,4.127285518821994,4.148481594910554,4.1631401634375225,4.173850738051805,4.182167728152577,4.188943234101651,4.1945431048460105,4.199279841022146,third
+272,12.94,91,1.7089242304284016e+17,1.44,0.36464311358790924,45.0,Branched,Base,0,0.570863049364951,0.5066076825965846,9.89,0.6042784533887164,0.42748525456695585,0.3492202491745612,0.3026321786602082,0.2705780645394308,0.24700682283811073,0.22884795025499668,0.21401555555846355,0.20173463901676894,0.19135064660012843,4.26,4.26,4.26,4.26,4.26,4.26,4.26,4.26,4.26,4.26,4.26,0.61,3.705240515537094,3.7641715818110146,3.790259916941813,3.8057892737799306,3.816473978486856,3.824331059053963,3.8303840165816676,3.835328148147179,3.8394217869944103,3.8428831177999574,third
+280,7.69,99,3.037258198888279e+17,2.71,0.9969486348916096,64.0,Unknown,Acid,1,0.10307145104540713,0.061092421969361085,7.91,7.41007267037956,6.971674289819495,6.586609957422316,6.248524303398703,5.952381950874086,5.693384981127092,5.46697293358954,5.268822805846448,5.094849053636031,4.941503359916467,1.9,1.9,1.9,1.9,1.9,1.9,1.9,1.9,1.9,1.9,1.9,2.43,2.929927329620441,3.3683257101805064,3.7533900425776854,4.091475696601298,4.387618049125915,4.646615018872909,4.873027066410462,5.071177194153552,5.24515094636397,5.3984966400835335,first
+280,10.05,100,2.721328673751497e+17,2.01,0.6981347220709843,92.1,Ring,None,0,0.06010057835166971,0.04404635754676272,2.43,1.4836165147318996,1.1604509356131913,0.9862659945250197,0.8713790004783132,0.7900289735933476,0.7271713601348578,0.6773113375836247,0.6369117417710188,0.6030134079402797,0.5736853656643365,0.65,0.65,0.65,0.65,0.65,0.65,0.65,0.65,0.65,0.65,0.65,3.59,3.9054611617560333,4.01318302146227,4.0712446684916594,4.1095403331738956,4.136657008802217,4.157609546621714,4.174229554138791,4.187696086076326,4.198995530686573,4.208771544778553,third
+272,12.33,99,1.6473120272260758e+17,2.69,0.9895411936137477,109.4,Branched,Base,1,0.016003558665480012,0.014107921207761697,8.47,7.039098106045417,6.057327936951512,5.344388531658323,4.8145023237073,4.405436716196659,4.078316335903979,3.817003911008556,3.6063219882971986,3.433042857992029,3.2877535906317865,1.42,1.42,1.42,1.42,1.42,1.42,1.42,1.42,1.42,1.42,1.42,3.8,4.5154509469772925,5.006336031524245,5.3628057341708395,5.627748838146351,5.8322816419016705,5.995841832048011,6.126498044495722,6.231839005851401,6.318478571003986,6.391123204684107,second
+278,13.83,93,4.2956103761248064e+17,4.7,1.547562508716013,47.3,Branched,Acid,0,1.4395131433003625,1.135651861346253,3.58,2.4283894853597094,1.2767789707194195,0.12516845607912908,-1.0264420585611613,-2.1780525732014517,-3.3296630878417437,-4.481273602482034,-5.632884117122328,-6.784494631762619,-7.9361051464029115,2.91,2.91,2.91,2.91,2.91,2.91,2.91,2.91,2.91,2.91,2.91,2.94,4.091610514640291,5.243221029280581,6.394831543920871,7.546442058561162,8.698052573201451,9.849663087841744,11.001273602482033,12.152884117122328,13.30449463176262,14.456105146402912,zero
+277,9.3,96,2.0476461028875316e+16,4.19,1.4327007339340465,47.3,Linear,None,1,0.016129508808572227,0.008343389032513427,8.53,3.3789699887979436,2.555165698823349,2.190683336818423,1.9839594503463291,1.856336329204263,1.7698404595153254,1.7114125789853059,1.669899782894759,1.6395579840148176,1.6175451994138959,0.48,0.48,0.48,0.48,0.48,0.48,0.48,0.48,0.48,0.48,0.48,4.94,6.65701000373402,6.9316114337255526,7.05310555439386,7.122013516551225,7.164554556931914,7.193386513494893,7.212862473671566,7.226700072368415,7.236814005328395,7.244151600195369,third
+279,13.68,96,3.227425646948665e+17,3.44,1.235471471385307,106.5,Linear,None,1,0.3427659247741064,0.20235348679529316,9.86,6.900787367487157,6.645031034615692,6.614755465686243,6.611045812437438,6.610603011140925,6.610685876372909,6.610399341720754,6.610731638388489,6.610677624477183,6.610721664689359,3.72,0.7607873674871573,0.5050310346156918,0.4747554656862425,0.47104581243743776,0.47060301114092457,0.4706858763729082,0.4703993417207536,0.4707316383884892,0.4706776244771823,0.47072166468935905,2.02,4.9792126325128425,5.234968965384308,5.265244534313757,5.268954187562562,5.269396988859075,5.269314123627091,5.269600658279246,5.269268361611511,5.269322375522817,5.2692783353106405,second
+274,7.11,95,3.652305300232036e+17,1.95,0.6678293725756554,73.4,Unknown,Acid,0,0.2827239539005412,0.17701395468867817,9.96,6.207586918219165,5.580348389665203,5.416745157190549,5.369779054631113,5.355889221271958,5.351755226011535,5.350523717517176,5.3501564133779205,5.350046684881546,5.350014074507303,4.61,0.8575869182191634,0.2303483896652017,0.066745157190548,0.019779054631112115,0.005889221271957128,0.001755226011533875,0.0005237175171746986,0.0001564133779199664,4.668488154506617e-05,1.4074507302287446e-05,0.52,4.272413081780837,4.899651610334798,5.063254842809452,5.110220945368888,5.124110778728043,5.128244773988467,5.129476282482825,5.129843586622081,5.129953315118455,5.129985925492698,second
+270,5.5,91,2.408484459105292e+17,1.94,0.6626879730752367,34.9,Linear,None,1,0.5971723734615934,0.39524762407479425,9.21,6.288748210837919,6.233057278406237,6.231788775842926,6.231972126021869,6.232293763388645,6.232414154452664,6.23225541250562,6.231974808717701,6.23160929268215,6.231908726065039,3.71,0.7887482108379169,0.7330572784062352,0.7317887758429235,0.7319721260218676,0.7322937633886425,0.7324141544526618,0.7322554125056179,0.7319748087176993,0.7316092926821489,0.7319087260650374,3.91,6.831251789162083,6.886942721593765,6.888211224157076,6.888027873978133,6.887706236611357,6.8875858455473375,6.887744587494382,6.888025191282301,6.888390707317852,6.888091273934963,second
+273,10.43,94,4.163489790715865e+17,3.63,1.2892326482767593,135.2,Ring,None,1,0.4297879314315836,0.3074933887973309,3.21,1.255209751295206,1.2507503797963664,1.2505498534263484,1.2502505928435375,1.25120548895726,1.2507186870964009,1.2501770228501592,1.2509209678949773,1.2503981338598433,1.2508974087554225,3.82,3.82,3.82,3.82,3.82,3.82,3.82,3.82,3.82,3.82,3.82,2.08,2.731596749568265,2.7330832067345443,2.733150048857884,2.7332498023854876,2.7329315036809136,2.7330937709678667,2.7332743257166134,2.7330263440350073,2.7332006220467187,2.7330341970815253,third
+272,13.77,100,1.6337130699042726e+17,3.78,1.3297240096314962,195.5,Unknown,Base,0,0.010199301423742204,0.00780390083251513,1.25,1.2398421959310346,1.2297669366503887,1.2197735513833616,1.2098613747793607,1.200029746860938,1.1902780131728714,1.180605524516777,1.1710116369022663,1.1614957115469473,1.1520571148764231,0.23,0.23,0.23,0.23,0.23,0.23,0.23,0.23,0.23,0.23,0.23,1.34,1.3501578040689655,1.3602330633496114,1.3702264486166384,1.3801386252206393,1.389970253139062,1.3997219868271287,1.409394475483223,1.4189883630977338,1.4285042884530528,1.437942885123577,first
+278,12.03,95,2.9753930593828224e+17,2.32,0.8415671856782185,49.8,Ring,Base,0,0.41969398783391115,0.3305961542782373,2.96,0.9938726468491285,0.596801414518252,0.4264651618246791,0.3321101990911024,0.27148315274133517,0.22999876732180996,0.19916973156170317,0.17573426488134444,0.15738528878785019,0.14237311151159726,3.62,3.62,3.62,3.62,3.62,3.62,3.62,3.62,3.62,3.62,3.62,2.82,3.803063676575436,4.001599292740874,4.086767419087661,4.133944900454449,4.164258423629333,4.185000616339095,4.200415134219148,4.212132867559328,4.221307355606075,4.228813444244202,second
+272,11.45,94,2.8166521564845427e+17,1.1,0.09531017980432493,127.6,Branched,Base,0,0.2496917434040948,0.17346181849096967,4.17,0.8945622555424214,0.6396783614040814,0.5245527187783378,0.4547884949898555,0.407595048535214,0.37213596619238165,0.3446875910527935,0.32275945412036877,0.30440874874911333,0.28879413848288443,2.69,2.69,2.69,2.69,2.69,2.69,2.69,2.69,2.69,2.69,2.69,4.86,5.95181258148586,6.036773879531974,6.075149093740555,6.098403835003381,6.114134983821596,6.125954677935873,6.135104136315736,6.14241351529321,6.148530417083629,6.153735287172372,third
+271,2.22,97,4.0650711608571635e+17,0.72,-0.3285040669720361,146.3,Ring,None,0,0.08163214817295535,0.041764661664460266,6.84,6.354524512335064,6.053926575085604,5.859468785509368,5.731008168909547,5.643734603065468,5.584517657442672,5.543506849724351,5.515189097896948,5.495571521306114,5.481844703455651,1.39,0.9045245123350647,0.6039265750856047,0.40946878550936866,0.2810081689095479,0.19373460306546858,0.1345176574426729,0.09350684972435182,0.06518909789694831,0.045571521306115,0.03184470345565196,4.8,5.285475487664936,5.586073424914396,5.780531214490631,5.908991831090453,5.996265396934532,6.055482342557328,6.0964931502756485,6.124810902103052,6.144428478693886,6.158155296544349,second
+280,11.65,90,1.203403025459224e+17,3.15,1.1474024528375417,69.2,Unknown,Acid,1,1.9502890716352126,1.1852559107384677,1.78,1.372839937495932,1.3742037087998669,1.3731288034866727,1.372122681956422,1.3719145946441584,1.3733971427407907,1.3741304002966686,1.3729222275856456,1.371662302548397,1.3729520575473557,2.24,2.24,2.24,2.24,2.24,2.24,2.24,2.24,2.24,2.24,2.24,4.12,4.255720020834691,4.255265430400046,4.255623732171111,4.255959106014529,4.256028468451952,4.255534285753075,4.255289866567783,4.2556925908047925,4.256112565817209,4.255682647484222,third
+278,3.19,93,3.8858132621222554e+17,4.01,1.3887912413184778,49.0,Linear,Acid,0,1.3021849687126565,0.9566550678584946,7.35,0.40040380310230167,0.28315711895540047,0.23136592602940587,0.2002915687504179,0.17925384289834861,0.16353264596436654,0.1514621481242402,0.1417487124672842,0.13360714223152523,0.12672453600640973,4.42,4.42,4.42,4.42,4.42,4.42,4.42,4.42,4.42,4.42,4.42,2.0,4.316532065632566,4.355614293681532,4.372878024656863,4.383236143749859,4.390248719033883,4.395489118011877,4.399512617291919,4.402750429177571,4.405464285922824,4.407758487997863,third
+275,8.27,94,4.016447569363978e+16,1.42,0.35065687161316933,58.4,Branched,Acid,0,0.056033476118837106,0.03284584132295148,2.65,2.6051732191049304,2.5603464382098604,2.515519657314791,2.4706928764197214,2.4258660955246514,2.381039314629582,2.336212533734512,2.2913857528394423,2.2465589719443724,2.201732191049303,2.58,2.58,2.58,2.58,2.58,2.58,2.58,2.58,2.58,2.58,2.58,1.72,1.7648267808950697,1.8096535617901395,1.854480342685209,1.8993071235802788,1.9441339044753483,1.9889606853704183,2.033787466265488,2.0786142471605578,2.1234410280556273,2.168267808950697,zero
+276,7.95,93,2.034320275029397e+17,4.4,1.4816045409242156,36.1,Ring,Base,0,0.5093086201243624,0.25871757614897667,5.65,3.7592005134535436,2.499986473124596,1.6642468789458649,1.1073367565652594,0.7367310773601592,0.49077902207598323,0.3262533860090771,0.21747176278130498,0.14468393216065562,0.09629991220957956,4.18,4.18,4.18,4.18,4.18,4.18,4.18,4.18,4.18,4.18,4.18,1.11,3.0007994865464562,4.260013526875404,5.095753121054135,5.65266324343474,6.02326892263984,6.269220977924016,6.433746613990922,6.542528237218694,6.615316067839344,6.66370008779042,first
+280,6.15,93,2.3879565229783827e+17,4.46,1.4951487660319727,132.1,Ring,None,1,1.0666875672986549,0.5665769871650663,5.77,1.2471600679060535,1.2303350941015687,1.2306426001600967,1.2313010305549403,1.2291394667382822,1.2312437216964645,1.2300184254703774,1.2299801707050975,1.2325297808487559,1.2308267270530888,1.21,1.21,1.21,1.21,1.21,1.21,1.21,1.21,1.21,1.21,1.21,0.58,2.8414199660469737,2.849832452949216,2.8496786999199517,2.84934948472253,2.850430266630859,2.8493781391517676,2.8499907872648116,2.8500099146474516,2.848735109575623,2.849586636473456,second
+275,2.71,93,1.7360389841405155e+17,3.73,1.3164082336557241,78.2,Branched,Acid,1,0.3750731211367958,0.3201551228178795,5.08,5.276682795069135,5.302279146651819,5.3055258096689615,5.306077266594215,5.306368953355887,5.305784036988904,5.306670063841018,5.305435851384791,5.3068371639431335,5.305292566699633,0.5,0.6966827950691348,0.7222791466518191,0.7255258096689605,0.7260772665942148,0.7263689533558868,0.7257840369889044,0.7266700638410186,0.725435851384791,0.7268371639431338,0.7252925666996334,4.74,4.543317204930865,4.517720853348181,4.514474190331039,4.513922733405785,4.513631046644114,4.514215963011096,4.513329936158982,4.514564148615209,4.513162836056867,4.514707433300368,second
+277,2.23,99,1.739168794972375e+17,1.86,0.62057648772511,109.8,Ring,Enzyme,0,0.03723654880435612,0.024923195753561948,4.08,3.9602523518349497,3.844019291245552,3.7311976625165326,3.621687125381859,3.5153906367784105,3.412214114787073,3.3120660327865012,3.2148574194531148,3.120501858761101,3.0289154899824116,4.32,4.32,4.32,4.32,4.32,4.32,4.32,4.32,4.32,4.32,4.32,2.31,2.31,2.31,2.31,2.31,2.31,2.31,2.31,2.31,2.31,2.31,first
+277,9.21,97,6.3787629293929416e+16,4.36,1.472472057360943,90.0,Unknown,None,1,0.03254791597839328,0.017443514749199484,4.99,3.864103480157564,3.3896750436752816,3.132499906899674,2.9775744533376196,2.876050283379435,2.8086715426587565,2.7615453213049954,2.7285145049703434,2.705560354968293,2.6889198716004983,1.61,1.0470517400787818,0.8098375218376405,0.6812499534498369,0.6037872266688097,0.5530251416897173,0.5193357713293782,0.4957726606524976,0.4792572524851717,0.4677801774841466,0.4594599358002492,4.54,5.102948259921218,5.340162478162359,5.468750046550163,5.54621277333119,5.596974858310283,5.630664228670621,5.654227339347503,5.670742747514828,5.682219822515854,5.690540064199751,third
+277,9.12,97,2.0012278946991542e+17,2.53,0.9282193027394288,94.6,Branched,None,0,0.10211352591604127,0.0677499503926364,9.28,8.552047240314934,7.881197893182721,7.262832190246348,6.692863577824378,6.167671259765141,5.683826997812941,5.238095105463973,4.827432447966313,4.448988442319927,4.10010505727667,2.68,2.68,2.68,2.68,2.68,2.68,2.68,2.68,2.68,2.68,2.68,3.92,4.647952759685065,5.3188021068172775,5.937167809753651,6.50713642217562,7.032328740234857,7.516173002187056,7.961904894536026,8.372567552033686,8.751011557680071,9.099894942723328,first
+271,10.88,98,2.5957270324605784e+16,2.21,0.7929925155296614,53.6,Branched,Enzyme,0,0.003344239576426263,0.0017875345230086751,6.42,6.4028469413419105,6.385739712500249,6.368678191025025,6.351662254793332,6.334691782013258,6.317766651216147,6.3008867412561145,6.28405193131005,6.267262100877615,6.250517129781244,4.96,4.96,4.96,4.96,4.96,4.96,4.96,4.96,4.96,4.96,4.96,0.18,0.19715305865809005,0.21426028749975123,0.23132180897497465,0.24833774520666796,0.26530821798674226,0.2822333487838537,0.29911325874388583,0.31594806868994985,0.3327378991223846,0.34948287021875624,first
+271,1.49,99,1.81566079861767e+17,1.05,0.04879016416943205,65.9,Linear,None,1,0.015007846133442544,0.013299666376430604,8.17,6.865172800031408,5.939304952664075,5.251115671241504,4.727272958911573,4.313091013290636,3.97718900815286,3.7039266909540918,3.479093291115594,3.290592523911638,3.130055163647971,2.76,2.76,2.76,2.76,2.76,2.76,2.76,2.76,2.76,2.76,2.76,1.59,2.242413599984297,2.7053475236679634,3.049442164379249,3.311363520544214,3.5184544933546826,3.686405495923571,3.8230366545229546,3.9354533544422035,4.029703738044182,4.109972418176015,second
+280,3.0,95,3.7547727819283795e+17,4.19,1.4327007339340465,185.8,Branched,None,1,0.7103566196693549,0.47346255509789315,9.17,2.2991940897178944,2.2870363250136228,2.289321851378516,2.2863004568539185,2.2883219055150503,2.2892743069021297,2.286441362632534,2.287508831252522,2.289886157694035,2.2881073402933287,0.34,0.34,0.34,0.34,0.34,0.34,0.34,0.34,0.34,0.34,0.34,4.41,7.8454029551410525,7.851481837493188,7.8503390743107415,7.85184977157304,7.850839047242474,7.850362846548934,7.8517793186837315,7.8512455843737365,7.850056921152981,7.8509463298533335,second
+273,10.14,98,2.4137511808404995e+17,3.08,1.1249295969854831,118.4,Unknown,Enzyme,0,0.04276799185727174,0.029348506839699747,4.02,3.6584274954132967,3.4646747103161033,3.345734393908706,3.269105647604198,3.218144508431909,3.183290811236018,3.1590359655637057,3.142115485307079,3.13008339542222,3.121539186340102,0.46,0.2792137477066485,0.18233735515805166,0.12286719695435289,0.08455282380209898,0.059072254215954564,0.04164540561800901,0.029517982781852737,0.021057742653539564,0.015041697711109926,0.010769593170050886,4.49,4.670786252293352,4.767662644841949,4.8271328030456475,4.865447176197902,4.8909277457840465,4.908354594381992,4.920482017218148,4.928942257346461,4.934958302288891,4.9392304068299495,third
+273,11.39,90,4.752722774875547e+17,3.25,1.1786549963416462,82.9,Ring,None,0,2.8583114403647016,1.466024999732293,1.72,0.19457652639737816,0.10314512430752763,0.07017678761463775,0.053208948890964475,0.042785287822021886,0.03584243583827396,0.03078987885496597,0.026997417869337043,0.024062621466665754,0.02168170241571701,0.8,0.8,0.8,0.8,0.8,0.8,0.8,0.8,0.8,0.8,0.8,1.43,2.1927117368013107,2.2384274378462363,2.2549116061926813,2.263395525554518,2.2686073560889892,2.2720787820808632,2.274605060572517,2.2765012910653315,2.2779686892666673,2.2791591487921417,second
+280,11.67,93,3.902136275675006e+17,3.02,1.1052568313867783,56.6,Linear,Acid,1,1.743063665990072,1.0344646734250518,1.04,1.1189743982060822,1.1171134742113287,1.1195659057957998,1.1200212229534912,1.1196855615204069,1.1192674673034801,1.1193269511304555,1.1182572353166451,1.1181601551173108,1.1185517892301078,2.37,2.37,2.37,2.37,2.37,2.37,2.37,2.37,2.37,2.37,2.37,2.15,2.1105128008969585,2.1114432628943356,2.1102170471020996,2.109989388523254,2.110157219239796,2.1103662663482594,2.110336524434772,2.1108713823416774,2.110919922441344,2.110724105384946,second
+272,6.74,95,3.91786779505967e+16,4.16,1.425515074273172,27.9,Unknown,Acid,0,0.022318997740722716,0.018713136724329383,9.53,9.512144801807422,9.494289603614844,9.476434405422266,9.458579207229686,9.440724009037108,9.42286881084453,9.405013612651953,9.387158414459375,9.369303216266797,9.351448018074217,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2.8,2.8178551981925777,2.835710396385156,2.8535655945777343,2.871420792770312,2.8892759909628905,2.9071311891554683,2.9249863873480466,2.942841585540625,2.960696783733203,2.978551981925781,zero
+280,8.18,90,1.0163696495729811e+17,2.18,0.7793248768009977,162.4,Linear,None,0,1.647174369989201,1.1495921133173175,3.31,0.8874502596255952,0.2376491017609202,0.06378508269760867,0.017098858074628413,0.0045799496348469144,0.0012296458519042812,0.0003297679220815944,8.82890884576114e-05,2.365036673776752e-05,6.543949928289822e-06,3.48,3.48,3.48,3.48,3.48,3.48,3.48,3.48,3.48,3.48,3.48,4.69,4.69,4.69,4.69,4.69,4.69,4.69,4.69,4.69,4.69,4.69,first
+274,12.86,99,4.743623368744312e+17,0.71,-0.342490308946776,137.8,Linear,None,0,0.06343496461558971,0.049839914256764095,4.91,1.702657423834367,1.241943515209102,1.0250155694218064,0.893203304258645,0.8010429054228948,0.732944588456741,0.6800761245620066,0.6367201561224589,0.6007365018464274,0.5702339917527763,2.11,2.11,2.11,2.11,2.11,2.11,2.11,2.11,2.11,2.11,2.11,2.57,3.6391141920552106,3.792685494930299,3.864994810192731,3.9089322319137847,3.939652364859035,3.9623518038477528,3.979974625145998,3.994426614625847,4.006421166051191,4.016588669415741,third
+272,3.36,93,3.748564752792075e+17,3.46,1.2412685890696329,173.0,Ring,None,0,0.5171089274843583,0.3525011627742525,5.37,0.6326346397832406,0.44881089659208245,0.3665965250634199,0.317563113633262,0.2841520949419547,0.2595256060089398,0.2401528963711856,0.2246833120025282,0.211968885647928,0.20110526971835319,1.84,1.84,1.84,1.84,1.84,1.84,1.84,1.84,1.84,1.84,1.84,4.97,6.549121786738919,6.610396367802638,6.637801158312192,6.654145628788912,6.665282635019348,6.6734914646636865,6.679949034542938,6.685105562665824,6.689343704784024,6.692964910093882,third
+279,5.73,98,3.2928204494689574e+17,0.54,-0.616186139423817,104.9,Ring,Acid,1,0.14765700591493122,0.12270496274661749,8.18,1.4767941956688997,1.3527510602097335,1.3374839962395062,1.335166806343067,1.334563517416095,1.3351791972071376,1.3334342692638144,1.336716070029341,1.334236424654946,1.3355671266844644,3.45,3.45,3.45,3.45,3.45,3.45,3.45,3.45,3.45,3.45,3.45,0.58,2.8144019347770337,2.855749646596756,2.860838667920165,2.861611064552312,2.8618121608613025,2.8616069342642887,2.862188576912063,2.8610946433235545,2.861921191781686,2.861477624438513,third
+279,1.59,100,3.360791990165174e+17,1.78,0.5766133643039938,60.3,Unknown,Acid,1,0.06363151354530674,0.0425332492309661,5.36,4.7688966080336685,4.3779064649633215,4.107120555223036,3.916688990689813,3.777799642765715,3.675181076167721,3.599729802114524,3.5432085709727343,3.500236726542768,3.4677614895363575,3.18,2.5888966080336684,2.1979064649633213,1.927120555223035,1.7366889906898129,1.5977996427657142,1.4951810761677204,1.4197298021145237,1.363208570972734,1.320236726542768,1.2877614895363572,3.96,4.551103391966332,4.942093535036679,5.212879444776965,5.403311009310188,5.542200357234286,5.64481892383228,5.720270197885476,5.776791429027266,5.819763273457232,5.852238510463643,second
+276,13.24,91,1.7618021098784858e+17,2.07,0.7275486072772777,102.2,Unknown,Enzyme,0,1.054494647941096,0.9230457600289462,3.37,1.448784522055176,0.6240202181703794,0.26867889354302693,0.11572901931837526,0.049854167988746666,0.02147272938142877,0.009242538976491112,0.00397649367665537,0.0017110870149999163,0.0007376690820243405,2.54,2.54,2.54,2.54,2.54,2.54,2.54,2.54,2.54,2.54,2.54,0.43,0.43,0.43,0.43,0.43,0.43,0.43,0.43,0.43,0.43,0.43,first
+279,11.4,97,4.732414223216035e+17,0.65,-0.4307829160924542,49.6,Unknown,Acid,1,0.3265851644124226,0.21769925126462825,6.38,4.125839291563576,3.7688685448831416,3.6931137704892794,3.675894006424912,3.671995003733558,3.671436657212968,3.67075779877207,3.671242744594226,3.6708945023473216,3.6710223178216617,4.02,1.765839291563576,1.4088685448831417,1.333113770489279,1.3158940064249116,1.311995003733558,1.3114366572129679,1.31075779877207,1.3112427445942263,1.310894502347322,1.3110223178216618,4.51,6.764160708436424,7.121131455116858,7.19688622951072,7.214105993575087,7.218004996266441,7.218563342787031,7.219242201227929,7.218757255405773,7.219105497652676,7.218977682178337,second
+278,3.61,95,2.5229185792458128e+17,4.8,1.5686159179138452,26.6,Unknown,Enzyme,0,0.35587021222788484,0.2579062989678929,6.9,1.403251913765413,0.7807765251471206,0.5411564576306973,0.4143827809075501,0.33517923411063844,0.28192378908503424,0.24287780705936995,0.21343610216680103,0.1905550965880748,0.1719391177684051,3.14,3.14,3.14,3.14,3.14,3.14,3.14,3.14,3.14,3.14,3.14,0.3,3.048374043117293,3.3596117374264396,3.4794217711846507,3.5428086095462246,3.5824103829446803,3.6090381054574823,3.6285610964703143,3.643281948916599,3.654722451705962,3.664030441115797,second
+275,13.54,91,4.934778395921034e+17,0.96,-0.040821994520255166,175.1,Branched,Acid,0,2.5569729590333887,1.8791194949276313,5.53,3.481055217252524,3.4800008768626625,3.479999048006663,3.4799999134184687,3.4799997072310265,3.480000574083089,3.480001779077911,3.479999831496527,3.4800002410919166,3.4800001123957256,2.05,0.0010552172525237465,8.768626620061191e-07,-9.519933372680248e-07,-8.658153210525228e-08,-2.927689741706969e-07,5.740830884851836e-07,1.7790779105306005e-06,-1.685034734320615e-07,2.4109191611746887e-07,1.1239572514699741e-07,1.93,3.978944782747476,3.9799991231373375,3.980000951993337,3.9800000865815313,3.9800002927689735,3.979999425916911,3.9799982209220888,3.980000168503473,3.9799997589080833,3.9799998876042744,second
+276,12.04,97,3.382339495304879e+17,0.58,-0.5447271754416722,69.8,Ring,Enzyme,0,0.14815891413267288,0.11557360854489686,5.33,2.360043687167168,1.5157158536061761,1.1155124256519084,0.882854538874495,0.7306781945574152,0.6232620062399739,0.5429185192749046,0.48154356953413024,0.43250294191639915,0.3922835797561389,3.56,3.56,3.56,3.56,3.56,3.56,3.56,3.56,3.56,3.56,3.56,1.39,2.874978156416416,3.2971420731969117,3.4972437871740456,3.6135727305627525,3.6896609027212923,3.743368996880013,3.7835407403625476,3.814228215232935,3.8387485290418004,3.85885821012193,second
+271,7.52,98,7.091669176753474e+16,3.93,1.3686394258811698,132.0,Unknown,None,1,0.00913664666093175,0.007903434323212248,2.6,2.588409343749327,2.576975620001563,2.565696703999932,2.5545704995163145,2.543594938388528,2.532767981880629,2.522087618340282,2.5115518627499993,2.5011587567271403,2.4909063685239126,4.34,4.34,4.34,4.34,4.34,4.34,4.34,4.34,4.34,4.34,4.34,1.16,1.171590656250673,1.183024379998437,1.1943032960000677,1.2054295004836857,1.2164050616114723,1.2272320181193714,1.2379123816597182,1.248448137250001,1.25884124327286,1.269093631476088,first
+270,10.9,98,1.9476657246655053e+17,2.11,0.7466879474879751,100.6,Linear,Base,0,0.02135944494667446,0.017665091510220398,9.22,2.963021181734469,2.1519039474961064,1.773250109514541,1.5420003893345204,1.383801890525438,1.2655939725531575,1.1726997786044866,1.0983975770931644,1.0369472590794346,0.9842067788607173,3.33,3.33,3.33,3.33,3.33,3.33,3.33,3.33,3.33,3.33,3.33,1.36,3.445659606088511,3.7160320175012984,3.8422499634951537,3.9193332035551607,3.9720660364915212,4.011468675815615,4.042433407131838,4.067200807635612,4.087684246973522,4.105264407046428,third
+273,4.41,93,3.3919880293637766e+17,2.8,1.0296194171811581,59.9,Branched,Acid,0,0.5439933756855226,0.3787111457272126,5.27,1.9699831695380623,1.3571558366638692,1.1079575571996787,0.978014539258547,0.901829725599389,0.8537960736903903,0.82215253774561,0.8007136502455408,0.7859688892068872,0.7756103450885768,4.52,1.2199831695380623,0.6071558366638692,0.35795755719967864,0.22801453925854692,0.15182972559938898,0.10379607369039037,0.07215253774561001,0.05071365024554075,0.0359688892068872,0.02561034508857689,2.67,5.970016830461937,6.582844163336129,6.83204244280032,6.9619854607414515,7.03817027440061,7.086203926309608,7.117847462254389,7.1392863497544585,7.154031110793112,7.164389654911422,second
+278,5.54,100,3.958537447683716e+17,4.9,1.589235205116581,141.0,Unknown,Base,1,0.0641825970950109,0.04389289105319661,8.72,4.73811520625115,3.3929179851798024,2.7617971276079776,2.4188135898931247,2.216654776704749,2.094159253809401,2.0167345006203243,1.9668708672630268,1.9357843750340167,1.9149595582216248,3.41,3.41,3.41,3.41,3.41,3.41,3.41,3.41,3.41,3.41,3.41,1.72,3.710942396874425,4.3835410074100984,4.699101436196011,4.870593205053438,4.971672611647625,5.0329203730952985,5.0716327496898375,5.096564566368486,5.112107812482991,5.122520220889187,second
+271,12.92,96,4.8090612083507117e+17,4.37,1.4747630091074988,72.7,Branched,Base,1,0.1505248101049467,0.10722029127432718,3.97,1.4175448016991525,1.301638325786313,1.2851039917717362,1.2824193186136732,1.281617021462095,1.2817795392400462,1.2812033555113351,1.2825416220288002,1.280063582656075,1.2842195699933836,3.23,3.23,3.23,3.23,3.23,3.23,3.23,3.23,3.23,3.23,3.23,2.06,2.910818399433616,2.949453891404562,2.9549653360760875,2.9558602271287753,2.9561276595126342,2.956073486919984,2.9562655481628877,2.9558194593237324,2.956645472447974,2.955260143335538,third
+275,9.06,95,3.0108004275579923e+17,4.85,1.5789787049493917,56.9,Branched,Acid,0,0.27122918979672916,0.1560260140097901,9.89,7.960848408659286,6.408077561128522,5.155115878218057,4.146686407754421,3.3391851364298435,2.6920760710083345,2.168447872721081,1.7452382752071771,1.404938076613814,1.1311121443613943,0.73,0.73,0.73,0.73,0.73,0.73,0.73,0.73,0.73,0.73,0.73,0.95,0.95,0.95,0.95,0.95,0.95,0.95,0.95,0.95,0.95,0.95,first
+272,2.42,96,4.07190559091832e+17,3.48,1.247032293786383,170.6,Linear,Enzyme,0,0.14906529975804464,0.11952685336496333,7.64,1.1715530183070084,0.8326262279476206,0.6813039123973837,0.590779111397592,0.5285478442781315,0.4825802279530812,0.44721362479218635,0.41834271364943315,0.39438273269409996,0.37411816435313394,2.82,2.82,2.82,2.82,2.82,2.82,2.82,2.82,2.82,2.82,2.82,3.78,5.936148993897664,6.0491245906841264,6.0995653625342054,6.1297402962008025,6.1504840519072905,6.1658065906823065,6.177595458402605,6.18721909545019,6.195205755768634,6.201960611882289,third
+279,5.4,98,1.883764574020097e+17,4.31,1.4609379041156563,74.5,Linear,Enzyme,0,0.08447197201210335,0.07221343422393306,3.37,3.1497880277946755,2.9439657392811283,2.7515718368998296,2.5717369851055794,2.4036638749140513,2.2465942973450894,2.099809143422709,1.9626284041750968,1.8344111706346087,1.7145556338377725,1.9,1.9,1.9,1.9,1.9,1.9,1.9,1.9,1.9,1.9,1.9,0.97,1.1902119722053248,1.396034260718872,1.5884281631001707,1.768263014894421,1.936336125085949,2.093405702654911,2.240190856577291,2.3773715958249033,2.505588829365392,2.6254443661622275,first
+279,9.06,94,2.1179974506331056e+17,1.93,0.6575200029167941,137.0,Unknown,Enzyme,0,0.5327484758189313,0.28174018827198233,3.89,3.463801219344855,3.037602438689709,2.611403658034565,2.1852048773794204,1.759006096724275,1.3328073160691294,0.9066085354139832,0.48040975475883885,0.05421097410369269,-0.37198780655145347,2.22,2.22,2.22,2.22,2.22,2.22,2.22,2.22,2.22,2.22,2.22,3.03,3.456198780655145,3.882397561310291,4.308596341965435,4.7347951226205796,5.160993903275725,5.587192683930871,6.013391464586016,6.4395902452411615,6.865789025896307,7.291987806551454,zero
+273,11.89,98,2.9806195817814835e+17,2.9,1.0647107369924282,126.1,Branched,Enzyme,0,0.05281203589463049,0.02882126680780163,8.64,5.014022835421003,3.5249239613773593,2.7162627156417614,2.21175296296431,1.863561193693379,1.612366048029986,1.4186360819367017,1.2669290816711096,1.1456415107640754,1.0451506061590332,3.79,3.79,3.79,3.79,3.79,3.79,3.79,3.79,3.79,3.79,3.79,3.87,5.682988582289499,6.427538019311321,6.831868642179121,7.084123518517846,7.258219403153312,7.383816975985008,7.480681959031651,7.556535459164447,7.617179244617963,7.6674246969204845,second
+270,2.3,91,2.1281625983656588e+16,1.95,0.6678293725756554,68.8,Branched,None,0,0.05276678888973694,0.03250853348317359,7.29,3.696889175250119,2.953407863449154,2.5954595359785304,2.3798377873932477,2.2336758167712474,2.1282358544217557,2.0477961833942593,1.985351437328161,1.9354860029191365,1.8945722745834275,2.82,1.0234445876250593,0.6517039317245767,0.472729767989265,0.36491889369662345,0.2918379083856233,0.2391179272108776,0.19889809169712944,0.16767571866408032,0.14274300145956798,0.1222861372917135,4.19,5.986555412374941,6.358296068275425,6.537270232010736,6.645081106303378,6.718162091614378,6.770882072789124,6.811101908302872,6.842324281335921,6.867256998540434,6.887713862708288,third
+277,4.11,91,4.385026725042589e+16,1.63,0.4885800148186709,151.7,Linear,Acid,0,0.30285592810052303,0.2344703955819979,1.99,1.7477152575195816,1.505430515039163,1.2631457725587445,1.020861030078326,0.7785762875979075,0.5362915451174888,0.2940068026370699,0.05172206015665104,-0.19056268232376805,-0.4328474248041867,1.29,1.29,1.29,1.29,1.29,1.29,1.29,1.29,1.29,1.29,1.29,0.28,0.5222847424804187,0.7645694849608371,1.0068542274412555,1.249138969921674,1.4914237124020926,1.7337084548825112,1.97599319736293,2.218277939843349,2.460562682323768,2.7028474248041867,zero
+280,1.76,94,4.630121498234813e+16,4.91,1.5912739418064292,72.7,Branched,Enzyme,1,0.13459972784438975,0.07282915929010951,9.62,1.4320928065666803,1.2382066342632791,1.1990116200483083,1.1898476058705376,1.1879422514978177,1.1871107964495347,1.1871286547087336,1.186685289144597,1.1875258378943223,1.1871698785847682,0.63,0.63,0.63,0.63,0.63,0.63,0.63,0.63,0.63,0.63,0.63,0.28,3.0093023978111066,3.0739311219122403,3.086996126650564,3.090050798043154,3.090685916167394,3.090963067850155,3.0909571150970887,3.0911049036184677,3.090824720701893,3.0909433738050773,third
+272,5.2,95,1.4524898228692864e+17,1.38,0.3220834991691132,62.9,Branched,Base,1,0.08274428533785838,0.048416764320380425,7.61,1.7253133556962355,1.4324508821470343,1.3535980514904775,1.3280908664261621,1.3199453656719213,1.316753917300778,1.3159265018892403,1.3152732567414733,1.3155962394664538,1.3153832140282757,2.5,2.5,2.5,2.5,2.5,2.5,2.5,2.5,2.5,2.5,2.5,1.79,3.7515622147679215,3.849183039284322,3.875467316169841,3.8839697111912797,3.8866848781093597,3.887748694233074,3.8880244993702533,3.888242247752842,3.8881345868445156,3.888205595323908,third
+279,13.38,95,8.92429591908766e+16,1.09,0.08617769624105241,75.3,Unknown,Acid,1,0.1458622980631816,0.08105997262524078,8.48,1.413498943478382,1.2504673864987677,1.222292412959649,1.2167868465481337,1.2159660768208826,1.2154962261513884,1.215443602112167,1.2149557080526956,1.2164991261411087,1.2157228654941614,2.54,2.54,2.54,2.54,2.54,2.54,2.54,2.54,2.54,2.54,2.54,0.81,3.165500352173873,3.2198442045004114,3.2292358623467843,3.2310710511506224,3.231344641059706,3.231501257949538,3.231518799295945,3.231681430649102,3.2311669579529645,3.231425711501947,third
+278,4.95,93,3.4957040926250616e+16,1.97,0.6780335427498971,110.6,Branched,Enzyme,0,0.11714544723123275,0.07234961380222076,5.96,5.476299911882984,5.206517822055758,5.048138393338061,4.951524355027062,4.892047286442471,4.854590813083376,4.831109926982294,4.816135563186292,4.806683139823925,4.800636686190539,1.17,0.686299911882984,0.41651782205575866,0.2581383933380602,0.16152435502706192,0.1020472864424715,0.06459081308337548,0.04110992698229436,0.02613556318629176,0.016683139823925372,0.010636686190538792,0.57,1.053700088117016,1.3234821779442412,1.4818616066619397,1.578475644972938,1.6379527135575283,1.6754091869166243,1.6988900730177054,1.7138644368137081,1.7233168601760744,1.729363313809461,second
+279,11.02,90,4.268840596043604e+17,3.64,1.2919836816486494,185.1,Linear,Enzyme,1,6.023064251297954,4.704519849904077,9.43,4.816195932684147,4.818618981276061,4.8173276664276585,4.814821488211306,4.82144261556465,4.814268685457036,4.817283149317798,4.814588290523987,4.813373443386933,4.817003300192522,2.6,2.6,2.6,2.6,2.6,2.6,2.6,2.6,2.6,2.6,2.6,1.55,6.163804067315851,6.1613810187239375,6.16267233357234,6.165178511788692,6.1585573844353485,6.165731314542962,6.162716850682201,6.165411709476012,6.166626556613066,6.1629966998074766,first
+276,2.27,100,3.0888625612325626e+17,4.55,1.5151272329628591,105.2,Unknown,None,1,0.03660335063078119,0.02181605104770278,8.28,8.080460228133923,7.890031516023085,7.708296335528608,7.534855904521261,7.369335737678777,7.21137630844499,7.0606324724226,6.916773467373168,6.779482913217121,6.64845881203375,4.46,4.46,4.46,4.46,4.46,4.46,4.46,4.46,4.46,4.46,4.46,2.19,2.3895397718660765,2.5799684839769137,2.7617036644713906,2.935144095478738,3.100664262321222,3.258623691555009,3.409367527577399,3.553226532626831,3.6905170867828776,3.821541187966248,first
+279,10.15,98,2.9677846917698714e+17,1.04,0.03922071315328133,82.4,Branched,None,1,0.13308171778925215,0.09090426640433132,8.68,8.66013486832033,8.653734125556618,8.651091631894012,8.650091138005937,8.649823463583738,8.649672151221123,8.649595886058464,8.649680109995462,8.649629595996178,8.649612965893235,0.34,0.3201348683203305,0.31373412555661634,0.31109163189401057,0.3100911380059376,0.3098234635837376,0.3096721512211231,0.30959588605846267,0.3096801099954604,0.30962959599617895,0.3096129658932361,3.89,3.9098651316796693,3.9162658744433836,3.9189083681059897,3.9199088619940627,3.9201765364162626,3.9203278487788773,3.9204041139415375,3.92031989000454,3.920370404003821,3.920387034106764,second
+279,2.14,99,1.4963901903219904e+17,4.53,1.5107219394949427,39.0,Linear,Enzyme,1,0.04360167428961128,0.028699047944879274,1.78,1.5905951746576394,1.5130540580600722,1.4724733420798688,1.4522280549483864,1.44210452778749,1.4372570081239073,1.4341473780093295,1.4330127659708358,1.4324951933781558,1.4319862352056683,4.29,4.29,4.29,4.29,4.29,4.29,4.29,4.29,4.29,4.29,4.29,4.34,4.403134941780787,4.428981980646642,4.4425088859733775,4.449257315017205,4.452631824070837,4.454247663958697,4.455284207330224,4.455662411343055,4.455834935540614,4.4560045882647765,third
+280,2.82,100,4.159556714160793e+17,4.99,1.6074359097634274,48.3,Branched,Enzyme,0,0.09186386290598539,0.06457953340190639,6.82,3.4084857707375837,2.2727511543189305,1.7041331138702802,1.3648274070069104,1.1364827536940691,0.9752518088836641,0.8529281002019955,0.7579053020292967,0.6826439078340206,0.6208204197614928,4.13,4.13,4.13,4.13,4.13,4.13,4.13,4.13,4.13,4.13,4.13,0.55,2.255757114631208,2.8236244228405347,3.1079334430648595,3.2775862964965445,3.391758623152965,3.4723740955581675,3.533535949899002,3.5810473489853516,3.6186780460829895,3.6495897901192533,second
+272,4.68,95,3.6713155631902694e+17,2.96,1.085189268335969,190.5,Linear,None,1,0.20914458589860557,0.18588717188064768,4.15,1.6490182512630718,1.5665459089885896,1.5603499937535308,1.5599678634747467,1.5597306400577549,1.558523819175815,1.5602398860801963,1.5613508655389343,1.55837236339399,1.5605397131238923,3.23,1.9795091256315356,1.9382729544942943,1.9351749968767649,1.9349839317373727,1.9348653200288768,1.9342619095879068,1.9351199430400974,1.9356754327694665,1.9341861816969945,1.9352698565619455,4.0,5.250490874368463,5.291727045505704,5.294825003123234,5.295016068262625,5.295134679971121,5.295738090412091,5.2948800569599,5.2943245672305315,5.295813818303003,5.294730143438051,third
+273,2.16,95,7.492705168292045e+16,1.62,0.4824261492442928,169.0,Unknown,Base,0,0.049784341582791734,0.03792932383345578,8.73,1.9956362687277196,1.4303406741691886,1.1730562364410182,1.0176027752504533,0.9119098075510685,0.8331284539000936,0.7714534038611914,0.722233813667712,0.6815226576145497,0.6466130883495615,4.01,4.01,4.01,4.01,4.01,4.01,4.01,4.01,4.01,4.01,4.01,2.95,5.194787910424093,5.383219775276936,5.46898125451966,5.520799074916515,5.556030064149644,5.582290515366635,5.6028488653796025,5.619255395444096,5.63282578079515,5.644462303883479,third
+275,1.57,90,4.889088675958158e+17,1.06,0.058268908123975824,161.9,Unknown,Enzyme,0,3.9231724662560774,3.4976723900626316,5.59,0.23073223155371564,0.1632634910528758,0.13333463794669373,0.1153938444557414,0.1032910603458887,0.09425745745911268,0.08723781733472614,0.08164664063585948,0.07700008980628942,0.07303097213078344,3.73,3.73,3.73,3.73,3.73,3.73,3.73,3.73,3.73,3.73,3.73,4.31,6.096422589482095,6.118912169649042,6.12888845401777,6.134868718514754,6.138902979884705,6.141914180846964,6.144254060888426,6.146117786454715,6.1476666367312385,6.148989675956407,third
+280,5.05,94,3.1625250110156134e+17,0.72,-0.3285040669720361,22.4,Ring,Acid,1,0.9193603363239207,0.5328864021168804,4.77,1.4207223655098047,1.4210544436767383,1.4211227415574326,1.42224847120448,1.422785878900508,1.424041544674159,1.423874872629576,1.4227138691842645,1.4222890870194103,1.422960274869184,4.5,4.5,4.5,4.5,4.5,4.5,4.5,4.5,4.5,4.5,4.5,3.85,4.966425878163399,4.966315185441089,4.966292419480857,4.965917176265176,4.965738040366501,4.965319485108617,4.965375042456812,4.965762043605249,4.9659036376602,4.965679908376942,third
+275,8.32,98,4.587164507301242e+17,3.71,1.3110318766193438,169.1,Unknown,Enzyme,0,0.11126171650825738,0.06379450655327695,2.26,1.1732206650822377,0.8915330720901636,0.7475260015366287,0.6559915961871562,0.5919200596045577,0.5435909277614926,0.5050505087895075,0.473925791273179,0.4481488662906953,0.4260390739460623,0.77,0.77,0.77,0.77,0.77,0.77,0.77,0.77,0.77,0.77,0.77,0.84,1.2022597783059208,1.2961556426366119,1.3441579994877901,1.3746694679376144,1.3960266467984805,1.4121363574128354,1.4249831637368304,1.4353580695756065,1.4439503779031013,1.4513203086846456,third
+279,12.8,99,1.6689294646050947e+17,3.62,1.2864740258376797,161.5,Linear,Enzyme,1,0.04862910716648615,0.0390700453278025,5.11,2.076514485686477,1.6971421818397527,1.5693498489160809,1.5180924462661272,1.4952041545953028,1.4855138296720944,1.48067014389529,1.479125695630717,1.4779785000927652,1.4775000795131883,1.61,1.61,1.61,1.61,1.61,1.61,1.61,1.61,1.61,1.61,1.61,2.8,3.8111618381045074,3.937619272720082,3.9802167170279725,3.9973025179112907,4.004931948468232,4.008162056775968,4.0097766187015695,4.01029143478976,4.010673833302412,4.010833306828937,third
+279,3.36,99,4.706411378357035e+16,3.93,1.3686394258811698,88.3,Linear,Base,0,0.01371349647433119,0.01001056344360079,6.02,5.9543167585222685,5.889350176235792,5.825092431963294,5.761535791014237,5.698672607721174,5.636495317278936,5.574996435522361,5.514168558926297,5.454004364605596,5.394496610315118,2.87,2.87,2.87,2.87,2.87,2.87,2.87,2.87,2.87,2.87,2.87,0.53,0.5956832414777308,0.6606498237642084,0.7249075680367059,0.7884642089857629,0.8513273922788263,0.9135046827210644,0.9750035644776385,1.0358314410737026,1.0959956353944038,1.1555033896848823,first
+272,10.24,94,7.229339252168528e+16,2.9,1.0647107369924282,157.8,Branched,Base,0,0.06408694511240479,0.04902539072243236,8.5,7.335258770867872,6.63277294201629,6.174584231911591,5.861282948995748,5.638878661039021,5.478858082994087,5.360245395054249,5.271928642157873,5.2058590968258835,5.155572942055363,3.51,2.345258770867871,1.6427729420162895,1.18458423191159,0.8712829489957472,0.6488786610390207,0.48885808299408695,0.3702453950542478,0.28192864215787183,0.2158590968258826,0.16557294205536205,3.84,5.004741229132128,5.70722705798371,6.165415768088409,6.478717051004252,6.701121338960979,6.861141917005913,6.979754604945751,7.068071357842127,7.134140903174116,7.184427057944637,second
+272,2.23,96,5.480655230688901e+16,0.81,-0.21072103131565253,54.8,Branched,Base,0,0.020063714558001017,0.017607502699198255,7.72,7.597075665027876,7.476108635097038,7.3570677446394495,7.239922316203182,7.124642163287918,7.011197607139358,6.899559425693974,6.7896988505081595,6.681587566758227,6.57519771324041,4.12,4.12,4.12,4.12,4.12,4.12,4.12,4.12,4.12,4.12,4.12,0.74,0.74,0.74,0.74,0.74,0.74,0.74,0.74,0.74,0.74,0.74,first
+273,11.72,100,4.77142539246158e+17,3.87,1.3532545070416904,194.0,Linear,Base,0,0.035025901384826294,0.021431743661574194,5.65,2.244406976791139,1.6528810250465265,1.3694641542367825,1.1939613294170621,1.0733174384654955,0.9826432167624443,0.9112713246514286,0.8540720665387748,0.8066631953991964,0.7659162678706625,3.99,3.99,3.99,3.99,3.99,3.99,3.99,3.99,3.99,3.99,3.99,2.97,4.1051976744029535,4.302372991651159,4.396845281921074,4.4553462235276475,4.495560853844836,4.525785594412519,4.5495762251161915,4.568642644487076,4.584445601533602,4.59802791070978,third
+270,6.64,100,4.3243450664377645e+17,1.89,0.636576829071551,183.8,Ring,None,0,0.019456228097252264,0.01479730251168188,9.95,9.934435017522198,9.918870035044396,9.903305052566594,9.887740070088793,9.872175087610989,9.856610105133187,9.841045122655386,9.825480140177584,9.809915157699782,9.79435017522198,2.31,2.31,2.31,2.31,2.31,2.31,2.31,2.31,2.31,2.31,2.31,2.59,2.6055649824778015,2.6211299649556037,2.6366949474334054,2.652259929911207,2.6678249123890088,2.683389894866811,2.6989548773446126,2.7145198598224143,2.7300848423002164,2.745649824778018,zero
+272,12.99,93,1.547296070564748e+17,1.88,0.6312717768418578,70.8,Branched,Base,1,0.21344718960891323,0.1125293558049916,1.18,1.4447781545448823,1.6222087834855028,1.7336560376491421,1.8006400298194487,1.8403165793425924,1.8631761661368316,1.87666537540568,1.8840391490984658,1.8884101567186045,1.8909429142548548,0.15,0.4147781545448823,0.5922087834855028,0.7036560376491422,0.7706400298194486,0.8103165793425924,0.8331761661368314,0.8466653754056798,0.8540391490984656,0.8584101567186045,0.8609429142548548,3.82,3.5552218454551174,3.377791216514497,3.2663439623508577,3.1993599701805517,3.159683420657408,3.136823833863169,3.1233346245943205,3.115960850901535,3.1115898432813958,3.109057085745145,second
+279,4.89,93,3.404937293209887e+17,2.86,1.0508216248317612,141.0,Branched,Acid,1,1.318055187806975,0.7106433725355388,3.47,1.0758303795805133,1.0751101532274114,1.075963709488484,1.0757317261311512,1.0756586566570647,1.076458284011622,1.0751322861906885,1.0765366473433304,1.0747933793630498,1.0765822105037794,4.83,4.83,4.83,4.83,4.83,4.83,4.83,4.83,4.83,4.83,4.83,1.51,2.308056540139829,2.308296615590863,2.3080120968371722,2.3080894246229504,2.3081137811143124,2.3078472386627933,2.308289237936438,2.307821117552224,2.3084022068789842,2.3078059298320746,third
+271,4.17,92,8.217032170281712e+16,0.79,-0.23572233352106983,41.6,Ring,Acid,1,0.15180343992160725,0.12381125038130963,5.5,1.4706670086626303,1.3640478614673928,1.3513889209324648,1.3499418399985776,1.349719516981465,1.3485687047518595,1.3506874478157487,1.34865484627937,1.350567539109754,1.3497893907006149,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,1.63,2.9731109971124567,3.008650712844203,3.0128703596891793,3.0133527200004746,3.0134268276728458,3.013810431749381,3.013104184061418,3.0137817179068773,3.0131441536300825,3.013403536433129,third
+270,3.45,96,2.2340064004804064e+17,2.67,0.9820784724121582,165.3,Ring,None,1,0.059716890846303584,0.033036092629954515,7.64,7.366422440106042,7.112410365869922,6.87654924851312,6.657522901376154,6.454167680264872,6.265384996957249,6.090136301028196,5.927443079849559,5.776386858590117,5.6361092002155875,4.63,4.63,4.63,4.63,4.63,4.63,4.63,4.63,4.63,4.63,4.63,3.07,3.3435775598939568,3.597589634130078,3.8334507514868794,4.052477098623845,4.255832319735127,4.444615003042751,4.619863698971804,4.782556920150441,4.933613141409882,5.0738907997844125,first
+280,12.89,95,4.83159716240777e+17,2.78,1.0224509277025455,63.3,Unknown,None,0,0.9140784881606978,0.6820093794538065,4.68,2.2497588150818224,1.0850423047678681,0.5231114682300491,0.2518889916122827,0.12120749998944767,0.05840018650497346,0.02815747576266955,0.013558394530569031,0.006524028890842161,0.0031462776151773924,0.75,0.75,0.75,0.75,0.75,0.75,0.75,0.75,0.75,0.75,0.75,4.96,4.96,4.96,4.96,4.96,4.96,4.96,4.96,4.96,4.96,4.96,first
+276,3.1,100,4.221698576128844e+16,4.72,1.5518087995974639,155.4,Ring,Acid,0,0.00500275781703449,0.004235504646765302,9.28,8.638332391816165,8.079670556521828,7.587692553890338,7.151309856335441,6.763449946866671,6.417481543986277,6.10720311935792,5.826842897806676,5.571058857319033,5.334938729042891,4.7,4.7,4.7,4.7,4.7,4.7,4.7,4.7,4.7,4.7,4.7,2.13,2.4508338040919173,2.7301647217390856,2.9761537230548307,3.194345071832279,3.388275026566664,3.561259228006861,3.7163984403210395,3.8565785510966615,3.984470571340483,4.102530635478554,second
+271,3.14,96,8.145936976908426e+16,2.82,1.0367368849500223,41.2,Unknown,Acid,0,0.025496985034143976,0.021259113170981333,7.56,7.407356308267516,7.257794640311909,7.111252692928876,6.9676695063387015,6.826985453468756,6.689142036468268,6.554081885863651,6.421748760558507,6.292087547833622,6.165044263346969,3.35,3.35,3.35,3.35,3.35,3.35,3.35,3.35,3.35,3.35,3.35,0.89,1.0426436917324837,1.1922053596880906,1.3387473070711229,1.4823304936612982,1.6230145465312436,1.7608579635317319,1.8959181141363486,2.0282512394414933,2.1579124521663786,2.2849557366530306,first
+270,13.91,97,4.013165335816727e+17,3.03,1.1085626195212777,45.5,Linear,Acid,0,0.06871178178383011,0.043894427556680424,6.45,6.105015851784019,5.778481807359507,5.469394245898189,5.176834094191946,4.899931827453775,4.637855466292123,4.389810576710888,4.155040270109412,3.9328252032824915,3.722483578420367,4.75,4.75,4.75,4.75,4.75,4.75,4.75,4.75,4.75,4.75,4.75,0.73,1.074984148215981,1.4015181926404934,1.710605754101811,2.003165905808054,2.280068172546225,2.5421445337078765,2.790189423289112,3.024959729890588,3.247174796717508,3.4575164215796326,first
+271,8.43,99,1.0422182822104845e+17,2.35,0.8544153281560676,40.4,Linear,Acid,1,0.008614743254237887,0.004500270317079879,1.6,1.5961206798792975,1.5923087993054554,1.5885629890254807,1.5848819130785259,1.5812642693157795,1.5777087890053871,1.574214232713583,1.570779390198247,1.5674030804089045,1.5640841514867267,0.43,0.42612067987929747,0.4223087993054555,0.41856298902548056,0.4148819130785257,0.4112642693157793,0.40770878900538704,0.404214232713583,0.40077939019824693,0.3974030804089044,0.3940841514867267,0.23,0.23387932012070248,0.23769120069454447,0.2414370109745194,0.24511808692147427,0.2487357306842207,0.25229121099461294,0.255785767286417,0.25922060980175304,0.2625969195910956,0.2659158485132733,second
+272,1.66,94,2.9480232408510496e+17,2.88,1.0577902941478545,100.2,Linear,None,0,0.2613375815360209,0.21915742607284483,8.33,1.8623808282040395,1.0489355954525736,0.7297782248961879,0.5595885910242759,0.45411116909967675,0.38166787893737664,0.3292867902751099,0.289820141949058,0.2584976035466582,0.23328485044858374,1.03,1.03,1.03,1.03,1.03,1.03,1.03,1.03,1.03,1.03,1.03,2.56,5.79380958589798,6.200532202273713,6.360110887551906,6.445205704487862,6.497944415450162,6.534166060531312,6.560356604862445,6.580089929025471,6.595751198226671,6.608357574775709,second
+279,9.18,100,4.417196737952562e+17,2.1,0.7419373447293773,185.1,Linear,Base,1,0.08363293976117195,0.058145054423443636,9.3,8.481314324058278,8.07890173487641,7.867378721331064,7.752704465280699,7.690122511995827,7.655370465378283,7.636092171645973,7.625272510117547,7.619371963126035,7.615965368915119,2.07,1.251314324058276,0.84890173487641,0.637378721331063,0.5227044652806978,0.46012251199582543,0.42537046537828127,0.4060921716459712,0.39527251011754616,0.38937196312603345,0.38596536891511785,2.49,3.3086856759417245,3.7110982651235904,3.9226212786689376,4.037295534719303,4.099877488004175,4.134629534621719,4.153907828354029,4.164727489882455,4.170628036873967,4.174034631084883,second
+272,2.68,91,3.738927357188015e+17,4.99,1.6074359097634274,171.8,Unknown,None,1,1.2489819235246735,0.8505729352233935,9.52,2.176286267747915,2.1746237169551694,2.175471995116221,2.177944015863113,2.17816814479665,2.176125316640923,2.173975300388342,2.1750482940963147,2.17674687227818,2.177891486953225,2.27,2.27,2.27,2.27,2.27,2.27,2.27,2.27,2.27,2.27,2.27,3.28,6.951856866126041,6.952688141522415,6.95226400244189,6.951027992068443,6.950915927601676,6.951937341679539,6.953012349805829,6.952475852951842,6.951626563860911,6.951054256523388,second
+277,5.91,96,1.8587778680900272e+17,3.47,1.244154593958768,183.3,Linear,Acid,1,0.14641775233649318,0.10294210355291494,5.92,2.2392741148376056,1.9522145466112755,1.8878999621441714,1.871522173081633,1.8675516450358751,1.8660718492249757,1.8659298525435026,1.8655222731276946,1.866149360304049,1.865847487496044,2.99,1.149637057418803,1.006107273305638,0.973949981072086,0.9657610865408167,0.9637758225179378,0.9630359246124881,0.9629649262717516,0.9627611365638475,0.9630746801520248,0.9629237437480223,2.74,4.580362942581197,4.723892726694362,4.7560500189279145,4.764238913459184,4.766224177482062,4.766964075387512,4.767035073728248,4.767238863436153,4.766925319847975,4.767076256251977,third
+272,9.21,90,7.713724155171381e+16,0.67,-0.40047756659712525,161.3,Branched,Base,1,0.4009768348315353,0.21760957312767942,3.34,1.3091443796744147,1.304535920929716,1.3045347665328049,1.3039469664468568,1.3051278449398278,1.3043733323855837,1.3041294426699088,1.3046082466187134,1.3042891956236426,1.3046804550977458,3.18,3.18,3.18,3.18,3.18,3.18,3.18,3.18,3.18,3.18,3.18,3.41,4.086951873441862,4.088488026356762,4.0884884111557325,4.0886843445177155,4.088290718353391,4.088542222538139,4.088623519110031,4.088463917793763,4.088570268125452,4.0884398483007525,third
+270,6.8,95,4.688845635307525e+17,1.49,0.3987761199573678,146.7,Linear,Acid,0,0.19568039992710878,0.1314983993896012,9.05,7.738587666510514,6.617227047165352,5.6567809102374085,4.83398232162488,4.131709450514242,3.5337011927598336,3.0245080871037713,2.5894923151759355,2.2151702494208165,1.894178232605912,0.27,0.27,0.27,0.27,0.27,0.27,0.27,0.27,0.27,0.27,0.27,3.99,3.99,3.99,3.99,3.99,3.99,3.99,3.99,3.99,3.99,3.99,first
+278,7.29,95,3.2097644983195955e+17,3.57,1.2725655957915476,70.8,Ring,Enzyme,1,0.4527532448391519,0.2295879587392849,8.02,1.5267703093486034,1.5263595102044019,1.5270660064594794,1.5262435054088141,1.5266243104744461,1.5290973067910878,1.5259010403050737,1.5258630704872822,1.5283274531164603,1.5269492931007995,1.86,1.86,1.86,1.86,1.86,1.86,1.86,1.86,1.86,1.86,1.86,4.85,7.014409896883799,7.014546829931866,7.014311331180175,7.014585498197063,7.014458563175186,7.01363423106964,7.014699653231644,7.014712309837574,7.013890848961181,7.014350235633069,third
+270,8.08,99,9.081795172631074e+16,0.55,-0.5978370007556204,80.8,Branched,Enzyme,1,0.006379382270622475,0.0034060071861873055,6.34,6.311325650954868,6.282874897324053,6.254645995565363,6.226637215569557,6.198846840924463,6.171273168843193,6.1439145095766055,6.116769186407246,6.0898355356493425,6.063111906648809,2.8,2.8,2.8,2.8,2.8,2.8,2.8,2.8,2.8,2.8,2.8,1.31,1.3386743490451325,1.3671251026759468,1.3953540044346373,1.423362784430443,1.4511531590755362,1.4787268311568067,1.5060854904233942,1.533230813592754,1.5601644643506574,1.5868880933511913,first
+277,11.13,100,4.3209622476652896e+17,3.78,1.3297240096314962,105.9,Unknown,Enzyme,0,0.05992784234581641,0.05005990581333303,6.32,6.126650623032567,5.986452537331799,5.8831170599665805,5.806804937714914,5.74985038987648,5.706588562384727,5.673977999009406,5.649376373498385,5.630591078391179,5.616273814608596,0.75,0.5566506230325662,0.41645253733179916,0.3131170599665801,0.23680493771491457,0.17985038987648022,0.13658856238472677,0.10397799900940527,0.07937637349838547,0.06059107839117812,0.046273814608595976,2.36,2.5533493769674336,2.6935474626682003,2.7968829400334196,2.873195062285085,2.9301496101235194,2.973411437615273,3.0060220009905945,3.030623626501614,3.0494089216088214,3.0637261853914035,second
+273,8.41,100,3.304181724196242e+17,3.74,1.3190856114264407,140.3,Linear,Base,0,0.02425521384282543,0.013777449923613301,6.57,2.682499359285652,1.9811063598754,1.6419719198356437,1.4329306898797876,1.2878421803119795,1.1799687296264358,1.094269598196894,1.0252996029962738,0.968463887956964,0.9199820811092816,2.83,2.83,2.83,2.83,2.83,2.83,2.83,2.83,2.83,2.83,2.83,4.46,5.755833546904782,5.989631213374866,6.1026760267214515,6.172356436706737,6.22071927322934,6.256677090124521,6.285243467267702,6.308233465667908,6.3271787040143455,6.343339306296906,third
+275,1.71,100,4.897851261692738e+16,0.64,-0.4462871026284195,35.6,Ring,Base,1,0.004953418495029259,0.0027374938679513502,7.66,7.633908690788927,7.607977421511406,7.582205210509846,7.556591082117905,7.531134066648939,7.505833200492514,7.480687525880601,7.455696090866038,7.430857949322539,7.406172160944692,4.48,4.48,4.48,4.48,4.48,4.48,4.48,4.48,4.48,4.48,4.48,1.91,1.9360913092110728,1.9620225784885938,1.9877947894901544,2.013408917882095,2.0388659333510617,2.0641667995074857,2.0893124741194,2.1143039091339624,2.1391420506774605,2.1638278390553083,first
+278,2.9,92,2.8410257710973936e+17,0.6,-0.5108256237659907,98.5,Unknown,Acid,0,1.467462796504288,1.2642651697658442,8.35,6.650001574506524,6.649999073013874,6.65000093854072,6.65000184266391,6.649997400896007,6.650000066859826,6.650002868129764,6.6499999419334435,6.650000868551603,6.650001152874687,0.85,7.872532631896168e-07,-4.6349306217586174e-07,4.692703606077357e-07,9.21331955299804e-07,-1.2995519966619852e-06,3.342991256017386e-08,1.43406488152281e-06,-2.9033278592743355e-08,4.342758010468168e-07,5.764373427490064e-07,0.04,0.8899992127467368,0.890000463493062,0.8899995307296391,0.8899990786680444,0.8900012995519964,0.8899999665700872,0.8899985659351182,0.8900000290332782,0.8899995657241985,0.8899994235626566,third
+275,11.43,93,2.8547368076060403e+17,4.16,1.425515074273172,109.0,Linear,Base,0,0.6167690093566611,0.3325503629302653,3.13,0.5728711155122568,0.4084796535870038,0.33429932279086744,0.290112190569897,0.2595084976723884,0.23718769389734326,0.21966093749583313,0.2054675633604054,0.19375122366301567,0.18382890731554544,4.1,4.1,4.1,4.1,4.1,4.1,4.1,4.1,4.1,4.1,4.1,4.34,5.192376294829248,5.2471734488043325,5.271900225736378,5.286629269810035,5.296830500775871,5.304270768700886,5.310113020834723,5.314844145546532,5.3187495921123285,5.322057030894819,third
+271,8.75,97,1.0371326493669294e+17,2.99,1.095273387402595,159.8,Ring,None,0,0.020827031743837605,0.011399867366168373,4.8,4.138023510966137,3.63675614396423,3.2421909601874837,2.925737756108865,2.6689518384703024,2.4550608285927686,2.2701492231712437,2.110478627691894,1.9718549544917803,1.85029757403479,4.02,4.02,4.02,4.02,4.02,4.02,4.02,4.02,4.02,4.02,4.02,4.86,5.190988244516932,5.441621928017885,5.638904519906259,5.797131121945568,5.925524080764849,6.032469585703616,6.124925388414378,6.204760686154053,6.27407252275411,6.334851212982605,second
+280,2.92,93,9.312908035917928e+16,4.84,1.5769147207285403,194.5,Unknown,Base,0,0.4160026835379413,0.36850365823945586,4.78,0.7016245899943623,0.4987461881515148,0.40784325085753387,0.35379584510804074,0.31635627076653394,0.28904793735665535,0.2677123156682487,0.25038391233521506,0.23606984828345554,0.22395538008118904,4.95,4.95,4.95,4.95,4.95,4.95,4.95,4.95,4.95,4.95,4.95,1.87,3.2294584700018794,3.297084603949495,3.327385583047489,3.3454013849639868,3.357881243077822,3.366984020881115,3.3740958947772506,3.379872029221595,3.384643383905515,3.388681539972937,third
+276,2.92,92,1.0840164206800906e+17,3.6,1.2809338454620642,52.4,Ring,Acid,1,0.41962401768591634,0.21160696295011103,9.0,7.38729273571047,7.387237909181523,7.387241469165367,7.3872951255562205,7.387244315208545,7.387237345572697,7.387283329055838,7.387227449721021,7.387226714507215,7.3872709575469155,0.83,0.023646367855236064,0.023618954590762502,0.023620734582685324,0.023647562778111236,0.023622157604274076,0.02361867278635001,0.02364166452792019,0.023613724860511654,0.02361335725360895,0.0236354787734595,1.75,2.556353632144765,2.5563810454092386,2.5563792654173163,2.5563524372218898,2.5563778423957273,2.5563813272136513,2.556358335472081,2.5563862751394897,2.5563866427463924,2.5563645212265422,third
+272,8.04,96,3.87554149047345e+17,3.83,1.3428648031925547,111.8,Branched,Enzyme,1,0.14187675551482412,0.11368073267249482,7.22,2.965126407671548,2.1453362726910385,1.8722053957029952,1.7664675374084835,1.723915400633558,1.7053969847925385,1.698079533730452,1.694475732921094,1.6936197286277077,1.6928180570692601,3.26,3.26,3.26,3.26,3.26,3.26,3.26,3.26,3.26,3.26,3.26,0.81,2.937436796164226,3.3473318636544804,3.4838973021485025,3.536766231295758,3.558042299683221,3.5673015076037307,3.570960233134774,3.5727621335394533,3.573190135686146,3.5735909714653697,second
+274,13.67,94,7.64168090783455e+16,1.91,0.6471032420585384,149.0,Linear,Base,1,0.09175477800889656,0.05675159895967448,4.46,2.0849448465457923,1.643825868948335,1.4740404206374376,1.3967253609098347,1.3593685888657356,1.3398381859115465,1.3303379331474219,1.3252092991620945,1.3224600306832093,1.32121310083245,2.81,1.6224724232728962,1.4019129344741676,1.317020210318719,1.2783626804549173,1.259684294432868,1.2499190929557733,1.245168966573711,1.2426046495810472,1.2412300153416045,1.240606550416225,1.92,3.107527576727104,3.3280870655258328,3.4129797896812817,3.451637319545083,3.4703157055671325,3.4800809070442273,3.4848310334262895,3.487395350418953,3.4887699846583957,3.4893934495837757,third
+275,2.13,91,1.4069876214624083e+17,2.59,0.9516578757114463,129.1,Linear,None,0,0.7290356350647468,0.4907311635996205,1.91,1.0655933028555915,0.594785160406025,0.3322804513214108,0.18535509722002527,0.10364919927236309,0.057810466013396976,0.03229927780101041,0.018044333970384668,0.010065952073695638,0.005629476471825089,1.01,1.01,1.01,1.01,1.01,1.01,1.01,1.01,1.01,1.01,1.01,3.16,4.004406697144408,4.475214839593974,4.737719548678589,4.884644902779974,4.966350800727636,5.012189533986602,5.037700722198989,5.051955666029614,5.059934047926303,5.064370523528174,first
+274,10.28,98,2.499630369570663e+17,2.25,0.8109302162163288,165.0,Ring,None,1,0.05184878122425176,0.0334054215426353,6.94,6.675424473928402,6.428288578221238,6.197409702698438,5.981743475351574,5.780315112812229,5.592197583292716,5.4165116065860826,5.2524256540661085,5.099155948687305,4.9559664649849156,3.81,3.81,3.81,3.81,3.81,3.81,3.81,3.81,3.81,3.81,3.81,0.53,0.7945755260715981,1.041711421778762,1.2725902973015621,1.488256524648426,1.6896848871877714,1.8778024167072842,2.053488393413917,2.2175743459338912,2.3708440513126945,2.514033535015084,first
+274,2.24,91,4.268856450651463e+17,0.95,-0.05129329438755058,41.4,Ring,Acid,0,1.9128640865299722,1.487182802024989,9.4,0.3303746902024958,0.23382677904183072,0.19084123232339273,0.1653447839641603,0.1478357474268515,0.13505910880052585,0.12497900556771872,0.1168820682016727,0.11022695194576473,0.1045838763339839,0.76,0.76,0.76,0.76,0.76,0.76,0.76,0.76,0.76,0.76,0.76,4.77,7.7932084365991665,7.825391073652722,7.839719589225535,7.848218405345279,7.854054750857715,7.858313630399824,7.86167366481076,7.864372643932775,7.866591016018078,7.868472041222005,third
+272,4.66,96,2.161375199493781e+17,3.74,1.3190856114264407,82.6,Linear,Base,0,0.07912414342825731,0.049084448831753995,8.09,1.5947570425601976,1.1381068133847303,0.9324875281447635,0.8092314996611273,0.7242199720990254,0.6614679643130896,0.6131095866603371,0.5735865744444115,0.5408016807292821,0.5130635875294013,0.71,0.71,0.71,0.71,0.71,0.71,0.71,0.71,0.71,0.71,0.71,4.32,6.485080985813268,6.637297728871757,6.705837490618413,6.746922833446292,6.775260009300325,6.796177345228971,6.812296804446555,6.825471141851864,6.836399439756907,6.845645470823534,third
+274,7.07,94,4.136907598172499e+17,4.01,1.3887912413184778,29.9,Unknown,Enzyme,0,0.4967245333738991,0.34086634073704625,7.64,2.9725817175260083,2.9410335611798484,2.9400334617542625,2.940000911108235,2.9400003258195317,2.9400000702458904,2.9399999233382252,2.9400004072940114,2.9400005799825943,2.9400004914297337,2.35,0.01629085876300421,0.0005167805899240594,1.6730877131002153e-05,4.555541174480199e-07,1.6290976594456012e-07,3.51229450970686e-08,-3.8330887427895675e-08,2.0364700555271503e-07,2.899912970029839e-07,2.457148668598857e-07,3.63,5.963709141236996,5.979483219410077,5.9799832691228705,5.979999544445884,5.9799998370902365,5.979999964877057,5.98000003833089,5.979999796352997,5.9799997100087054,5.979999754285136,third
+279,13.26,97,2.9529066061730726e+17,1.6,0.47000362924573563,138.3,Ring,None,0,0.2037808703939266,0.1333414862274232,5.72,5.556975303684858,5.393950607369717,5.230925911054576,5.067901214739434,4.9048765184242935,4.741851822109152,4.57882712579401,4.41580242947887,4.252777733163728,4.089753036848586,0.29,0.29,0.29,0.29,0.29,0.29,0.29,0.29,0.29,0.29,0.29,2.01,2.173024696315141,2.3360493926302826,2.4990740889454237,2.662098785260565,2.825123481575706,2.9881481778908476,3.1511728742059892,3.31419757052113,3.4772222668362716,3.6402469631514127,zero
+271,9.83,98,4.8434217792490496e+17,5.0,1.6094379124341003,68.6,Ring,Acid,1,0.06240087111214986,0.04805066498827997,3.64,3.5093520581098465,3.409044531354168,3.3309687849220166,3.269995267324087,3.22250473365765,3.1851431420292413,3.155059561784349,3.1310353568957723,3.111912175459995,3.0966287899020206,1.13,0.9993520581098464,0.8990445313541677,0.8209687849220163,0.7599952673240867,0.7125047336576495,0.6751431420292408,0.6450595617843483,0.6210353568957719,0.6019121754599948,0.5866287899020202,1.46,1.5906479418901536,1.6909554686458321,1.7690312150779834,1.830004732675913,1.87749526634235,1.914856857970759,1.9449404382156514,1.9689646431042278,1.988087824540005,2.0033712100979795,second
+276,11.69,93,1.2359930639819637e+17,2.05,0.7178397931503168,72.0,Branched,Enzyme,1,0.30944091234151416,0.16851151609198417,3.54,2.0361794289927015,1.5858633180324677,1.407019188296718,1.328442322405421,1.2928145600793897,1.2756966606019453,1.2679885367623012,1.2639620833883292,1.2624489295300017,1.2615130720183778,3.48,1.976179428992702,1.525863318032468,1.3470191882967184,1.2684423224054213,1.23281456007939,1.2156966606019457,1.2079885367623016,1.2039620833883296,1.202448929530002,1.2015130720183782,0.5,2.003820571007298,2.4541366819675323,2.6329808117032822,2.711557677594579,2.7471854399206106,2.7643033393980545,2.772011463237699,2.7760379166116707,2.7775510704699986,2.7784869279816222,second
+279,3.27,98,1.859078811023733e+17,2.36,0.8586616190375187,116.9,Branched,Base,0,0.08336501039403015,0.06425485147211443,7.12,6.3869104518762,5.950271020750231,5.674960076971232,5.493035972619948,5.37101383660943,5.286970634107998,5.228759718640654,5.188194177965917,5.159531279097537,5.139340444687301,2.03,1.2969104518761998,0.8602710207502307,0.5849600769712319,0.4030359726199476,0.2810138366094296,0.1969706341079988,0.13875971864065406,0.09819417796591728,0.06953127909753759,0.04934044468730143,0.58,1.3130895481238,1.7497289792497692,2.025039923028768,2.206964027380052,2.3289861633905704,2.413029365892001,2.471240281359346,2.5118058220340824,2.5404687209024623,2.5606595553126983,second
+273,13.48,95,2.0693199026167712e+17,0.74,-0.3011050927839216,196.4,Branched,Enzyme,0,0.13749337063455536,0.0990006425942911,9.46,8.199233666227988,7.740110488328453,7.552759693006144,7.4725672823988125,7.437569310549658,7.422181243125682,7.415391431155443,7.41238887234335,7.411059069984439,7.410468976401891,2.05,0.7892336662279864,0.330110488328451,0.14275969300614227,0.06256728239881111,0.02756931054965563,0.01218124312568021,0.005391431155441574,0.002388872343348166,0.0010590699844369635,0.00046897640188890255,3.87,5.130766333772014,5.589889511671549,5.777240306993858,5.857432717601189,5.892430689450344,5.9078187568743195,5.914608568844558,5.917611127656651,5.918940930015562,5.919531023598111,second
+280,8.73,97,8.666524975875382e+16,3.76,1.324418957401803,84.8,Ring,Base,0,0.0694415996888922,0.05648222545752503,1.16,0.9070804787964427,0.7178708160006841,0.5733549226184739,0.4617143659771227,0.373722608178532,0.3035301961767848,0.24753040889072955,0.20258298192673727,0.1660753034281855,0.13634510535336014,4.56,4.307080478796442,4.117870816000683,3.973354922618473,3.8617143659771216,3.773722608178531,3.7035301961767835,3.647530408890728,3.602582981926736,3.566075303428184,3.5363451053533588,0.34,0.5929195212035573,0.7821291839993159,0.9266450773815261,1.0382856340228774,1.1262773918214681,1.1964698038232153,1.2524695911092705,1.2974170180732627,1.3339246965718146,1.3636548946466398,second
+274,2.56,96,3.7507629164750637e+17,1.03,0.02955880224154443,136.6,Ring,Base,1,0.18718493296998903,0.1543789319066769,7.13,1.6413274123953765,1.6121260638144872,1.6110280348234776,1.6116622575989141,1.6120031075149532,1.6125803688266096,1.6118720335557983,1.610642259791701,1.6101404527000986,1.611259169146483,4.73,4.73,4.73,4.73,4.73,4.73,4.73,4.73,4.73,4.73,4.73,3.23,5.059557529201541,5.0692913120618375,5.069657321725508,5.069445914133696,5.0693322974950155,5.069139877057797,5.069375988814735,5.069785913402766,5.0699531824333,5.069580276951172,third
+276,9.33,96,1.7368739592785645e+17,3.12,1.1378330018213911,77.1,Linear,Enzyme,1,0.11763638521540366,0.10114393875651741,5.31,3.587307798690948,3.3825991423983788,3.33929638492644,3.3293088215414217,3.3270252096801554,3.3265570019605724,3.3262483234247973,3.3264124217322646,3.326304937434664,3.3263187074246057,1.25,0.3886538993454739,0.28629957119918914,0.26464819246321997,0.2596544107707106,0.2585126048400777,0.2582785009802862,0.25812416171239855,0.25820621086613205,0.2581524687173318,0.25815935371230253,2.33,3.191346100654526,3.2937004288008107,3.31535180753678,3.3203455892292895,3.3214873951599224,3.321721499019714,3.321875838287602,3.3217937891338685,3.3218475312826685,3.3218406462876975,third
+273,10.1,95,8.504663136482966e+16,3.65,1.2947271675944,121.8,Linear,Enzyme,1,0.05650816962944217,0.04349306731346445,1.8,1.6113516738381914,1.4755575444587297,1.374765573979194,1.299262670555366,1.2424636756438723,1.1983183038074343,1.1634047808174433,1.136198645120197,1.1149870625573957,1.098212098399685,3.3,3.3,3.3,3.3,3.3,3.3,3.3,3.3,3.3,3.3,3.3,1.0,1.0943241630809042,1.1622212277706352,1.2126172130104031,1.2503686647223171,1.278768162178064,1.3008408480962832,1.3182976095912786,1.3319006774399018,1.3425064687213024,1.3508939508001576,second
+270,12.13,91,1.367698980778852e+17,2.06,0.7227059828014898,51.9,Linear,Base,0,0.3391145180301963,0.27546960575031404,6.27,2.634359725570628,2.482274761568413,2.45622034585421,2.4512167619141976,2.450239246477025,2.450046728853154,2.450009017185724,2.4500017044818865,2.450000750084365,2.4500001570637626,1.91,0.09217986278531402,0.016137380784206415,0.0031101729271049102,0.0006083809570989146,0.0001196232385126278,2.3364426577272192e-05,4.508592862247294e-06,8.522409434015407e-07,3.750421825846145e-07,7.853188143088799e-08,4.11,5.927820137214686,6.003862619215794,6.0168898270728945,6.0193916190429,6.019880376761487,6.019976635573421,6.019995491407136,6.019999147759055,6.0199996249578165,6.019999921468117,third
+276,13.59,97,1.2729127143770864e+17,3.89,1.358409157630355,70.9,Branched,Acid,0,0.055758260165655785,0.0426689135998258,1.74,1.5061932523853272,1.3275805448386704,1.187157909464817,1.0739234476247754,0.979999501652338,0.9010955307869333,0.8341903646675516,0.7767162313472973,0.7265697366720343,0.6823414439079358,3.28,3.28,3.28,3.28,3.28,3.28,3.28,3.28,3.28,3.28,3.28,0.04,0.15690337380733638,0.2462097275806647,0.3164210452675914,0.37303827618761226,0.42000024917383094,0.4594522346065333,0.4929048176662241,0.5216418843263513,0.5467151316639828,0.568829278046032,second
+270,11.13,96,3.7814936790454285e+17,4.08,1.4060969884160703,55.9,Branched,Enzyme,1,0.10108254175949635,0.08577000913545849,5.12,1.8103927706417948,1.6926321794644716,1.678848176817829,1.6773396858361658,1.6772443145467626,1.675598232316196,1.6786330127512357,1.67593633146494,1.6779201671756565,1.6773580113200686,1.08,1.08,1.08,1.08,1.08,1.08,1.08,1.08,1.08,1.08,1.08,4.41,5.513202409786069,5.552455940178509,5.5570506077273905,5.557553438054612,5.557585228484413,5.558133922561268,5.5571223290829215,5.558021222845021,5.557359944274782,5.557547329559978,third
+273,13.41,90,3.692339193771689e+16,2.76,1.0152306797290584,173.7,Branched,Base,0,0.22205914081620207,0.16275300876586454,7.91,4.064264928918516,3.994255399688167,3.990251619634019,3.990014722755992,3.9900012447057405,3.9900004784151992,3.9899997060908934,3.989998690255051,3.9899994719090772,3.990002094009505,1.96,0.03713246445925801,0.0021276998440835793,0.0001258098170095115,7.361377996155411e-06,6.223528704020337e-07,2.392075998379011e-07,-1.4695455330350252e-07,-6.548724744857115e-07,-2.640454612245101e-07,1.0470047526657202e-06,4.08,6.002867535540742,6.037872300155916,6.03987419018299,6.039992638622003,6.0399993776471295,6.0399997607924,6.0400001469545535,6.0400006548724745,6.040000264045461,6.039998952995247,third
+278,11.81,94,3.170468155581653e+17,0.91,-0.09431067947124129,55.3,Linear,None,1,0.6893074502313288,0.3565147762128487,3.44,1.215794778743294,1.214535546672015,1.2157661352327978,1.2169820101135589,1.2150415816404276,1.2147641017802056,1.2165768951903544,1.2158684879009132,1.2145377020296289,1.2156890419887452,3.14,3.14,3.14,3.14,3.14,3.14,3.14,3.14,3.14,3.14,3.14,2.73,3.471401740418902,3.471821484442662,3.471411288255734,3.4710059966288145,3.471652806119858,3.471745299406599,3.4711410349365495,3.4713771706996965,3.471820765990125,3.471436986003753,third
+275,2.88,97,3.037617401273246e+17,0.89,-0.11653381625595151,58.2,Linear,Base,1,0.11409996685030287,0.08320087827289707,4.75,1.4514615692208643,1.2236177209680341,1.1639339933228252,1.1453455083648578,1.1395616504139319,1.1378365464784335,1.136991108644636,1.1368719019276996,1.1369591137904753,1.1368175109096141,4.09,4.09,4.09,4.09,4.09,4.09,4.09,4.09,4.09,4.09,4.09,0.81,1.909512810259712,1.9854607596773222,2.0053553355590585,2.0115514972117143,2.013479449862023,2.014054484507189,2.014336297118455,2.014376032690767,2.0143469620698418,2.0143941630301287,third
+274,13.23,96,4.0420022991498925e+17,0.73,-0.31471074483970024,146.0,Linear,None,0,0.2017194758185256,0.17322391513489765,8.31,6.480213511940654,5.950938938504983,5.761323762923927,5.688256207787712,5.659338221739675,5.64777317160733,5.643128509899555,5.641259909786383,5.640507632299015,5.640204929917273,2.67,0.840213511940654,0.31093893850498255,0.12132376292392648,0.04825620778771218,0.01933822173967434,0.007773171607329099,0.003128509899554862,0.0012599097863822016,0.000507632299014574,0.00020492991727278853,3.19,5.019786488059346,5.549061061495017,5.738676237076073,5.811743792212288,5.840661778260325,5.85222682839267,5.856871490100445,5.858740090213617,5.859492367700985,5.859795070082727,second
+276,5.92,95,3.837461434820519e+17,3.67,1.3001916620664788,101.7,Linear,None,0,0.4018649860647699,0.2821096896640063,6.08,0.7169352387419569,0.5083201961520918,0.4156097132931597,0.3602428335392516,0.322218586643118,0.2941490383055603,0.2725611738122299,0.25494226596544306,0.24032478927262751,0.22796401617325457,4.03,4.03,4.03,4.03,4.03,4.03,4.03,4.03,4.03,4.03,4.03,4.17,5.957688253752681,6.027226601282637,6.058130095568948,6.076585722153584,6.089260471118961,6.09861698723148,6.105812942062591,6.111685911344853,6.116558403575792,6.120678661275583,third
+275,5.9,99,2.624005551346663e+17,2.0,0.6931471805599453,163.3,Branched,None,1,0.041097479195775964,0.03228629362553145,1.58,1.6561203533252464,1.7260408674352898,1.789997961801921,1.8482608133040894,1.9011183708009851,1.9488806669103744,1.991878818008601,2.030465024230584,2.0650125694698205,2.0959155414836332,0.07,0.14612035332524637,0.21604086743528955,0.2799979618019209,0.3382608133040893,0.3911183708009849,0.4388806669103743,0.4818788180086007,0.5204650242305839,0.5550125694698204,0.5859155414836329,3.21,3.1338796466747536,3.0639591325647104,3.000002038198079,2.941739186695911,2.888881629199015,2.8411193330896256,2.7981211819913994,2.7595349757694163,2.7249874305301796,2.694084458516367,second
+274,10.5,100,3.713242994331639e+17,3.64,1.2919836816486494,103.1,Branched,Base,1,0.03201309142163412,0.022594616460697232,3.98,3.3687772901343713,2.9455476528459497,2.6374666167782914,2.4090595897909446,2.234629559055977,2.0961361528000895,1.9866588713756006,1.8997817267094517,1.8297444093407504,1.7719832545093854,1.41,1.41,1.41,1.41,1.41,1.41,1.41,1.41,1.41,1.41,1.41,1.9,2.205611354932814,2.417226173577025,2.571266691610854,2.6854702051045276,2.7726852204720114,2.841931923599955,2.8966705643121995,2.940109136645274,2.9751277953296245,3.004008372745307,second
+275,2.53,93,1.0727592286089856e+17,3.2,1.1631508098056809,135.3,Ring,None,0,0.23177080456051918,0.1917037742115064,3.2,2.6449849908387377,2.3561715437923683,2.1865077548548113,2.0799227818225967,2.010852203183233,1.9643129566940316,1.93281660579593,1.9109830210226975,1.8958330945945612,1.8852782560508226,1.34,0.7849849908387377,0.49617154379236794,0.3265077548548108,0.21992278182259628,0.15085220318323303,0.10431295669403132,0.07281660579592968,0.05098302102269741,0.035833094594561105,0.025278256050822373,1.09,1.6450150091612623,1.9338284562076322,2.103492245145189,2.2100772181774038,2.2791477968167673,2.325687043305969,2.3571833942040707,2.379016978977303,2.3941669054054393,2.404721743949178,second
+279,5.12,99,9.899979014450898e+16,4.28,1.4539530095937054,161.1,Branched,Base,1,0.028846464194555572,0.023802884009038728,1.88,1.409171882054743,1.1455095653870546,0.9775000378860456,0.8611171110021464,0.7774016833279752,0.7139525412417985,0.6651097447002492,0.6271330609979263,0.5968198490429094,0.5721791794260555,4.07,3.834585941027372,3.7027547826935283,3.618750018943024,3.5605585555010744,3.5187008416639887,3.4869762706209,3.4625548723501254,3.443566530498964,3.4284099245214557,3.4160895897130286,0.12,0.35541405897262845,0.48724521730647263,0.5712499810569773,0.6294414444989268,0.6712991583360124,0.7030237293791008,0.7274451276498755,0.746433469501037,0.7615900754785454,0.7739104102869724,third
+276,12.03,90,2.010989351464236e+17,1.08,0.0769610411361284,140.1,Unknown,None,1,1.8610575470099355,1.0230389344577264,4.06,1.2170073473593985,1.2166875671171795,1.2156752575208116,1.2179858310021152,1.215539133835181,1.2174724685219405,1.215987416297107,1.2163167085973576,1.216878512534911,1.216663742593906,0.84,0.84,0.84,0.84,0.84,0.84,0.84,0.84,0.84,0.84,0.84,1.27,2.6914963263203,2.6916562164414093,2.6921623712395935,2.6910070844989415,2.692230433082409,2.6912637657390293,2.6920062918514462,2.691841645701321,2.6915607437325444,2.6916681287030473,second
+276,11.51,90,4.643154435238945e+17,2.86,1.0508216248317612,51.6,Ring,Enzyme,0,4.296978299433711,3.0813937331418897,9.7,0.3121571271681389,0.01008470037988389,0.0003247634316795173,1.0676753962204844e-05,4.950419934117703e-07,2.325465034002378e-07,8.645163011564837e-07,8.526950193988777e-07,9.262928346856144e-07,6.754935171270041e-07,3.88,3.88,3.88,3.88,3.88,3.88,3.88,3.88,3.88,3.88,3.88,3.14,12.527842872831862,12.829915299620115,12.83967523656832,12.839989323246037,12.839999504958005,12.839999767453495,12.839999135483696,12.839999147304978,12.839999073707164,12.839999324506481,first
+274,8.03,95,2.268580450723466e+17,3.11,1.1346227261911428,184.3,Linear,None,0,0.17561019193254804,0.09851802957958142,1.29,1.1209239879693835,0.9740097675503604,0.8461703756516037,0.7348657734372299,0.6382516837343106,0.554571774194585,0.48214965106568547,0.4193888591911362,0.3647728820103552,0.3170029825193796,1.03,1.03,1.03,1.03,1.03,1.03,1.03,1.03,1.03,1.03,1.03,3.81,3.9790760120306166,4.12599023244964,4.253829624348397,4.36513422656277,4.461748316265689,4.545428225805415,4.617850348934314,4.680611140808864,4.735227117989645,4.7829970174806204,first
+277,3.87,96,1.7058265493706998e+17,3.78,1.3297240096314962,131.4,Unknown,Base,0,0.13436962722792486,0.1082712468142307,4.15,2.2033516482282955,1.4961761802689921,1.1338715158999533,0.911445174922481,0.7633242328192242,0.6555886399650033,0.5747960301396959,0.5122470294908498,0.46150429167268275,0.4198483564444388,1.61,1.61,1.61,1.61,1.61,1.61,1.61,1.61,1.61,1.61,1.61,3.33,4.303324175885853,4.656911909865505,4.838064242050024,4.94927741253876,5.023337883590389,5.077205680017499,5.117601984930153,5.1488764852545765,5.17424785416366,5.195075821777782,second
+279,9.55,100,1.982201584434986e+17,1.28,0.2468600779315258,152.6,Branched,Enzyme,1,0.03752998916285334,0.027050909454232646,2.58,1.7768244477296293,1.464441819101492,1.296683077475261,1.193177099975163,1.1243011847760394,1.0769633613104528,1.0423311170714475,1.0173546968178295,0.9992612508393238,0.9854490084349107,1.96,1.96,1.96,1.96,1.96,1.96,1.96,1.96,1.96,1.96,1.96,0.61,0.8777251840901237,0.9818527269661694,1.0377723075082466,1.072274300008279,1.0952329384079869,1.1110122128965159,1.1225562943095175,1.1308817677273901,1.136912916386892,1.1415169971883632,third
+275,8.22,99,3.9260875677683334e+17,3.85,1.3480731482996928,180.0,Linear,Base,0,0.06149083871196321,0.04106181539167722,9.0,8.567979137728086,8.15669638291983,7.7651552496984495,7.392400601331289,7.037538757516184,6.699717348424574,6.378119486718622,6.071963767551196,5.780504268565883,5.503030549896986,2.21,2.21,2.21,2.21,2.21,2.21,2.21,2.21,2.21,2.21,2.21,3.45,3.45,3.45,3.45,3.45,3.45,3.45,3.45,3.45,3.45,3.45,first
+279,12.0,94,4.0453250209170886e+17,4.37,1.4747630091074988,133.6,Ring,Enzyme,0,1.0175369844952158,0.6955311465382525,4.5,3.685970412403827,2.871940824807654,2.057911237211481,1.243881649615308,0.4298520620191355,-0.384177525577039,-1.1982071131732104,-2.0122367007693853,-2.8262662883655585,-3.6402958759617317,2.69,2.69,2.69,2.69,2.69,2.69,2.69,2.69,2.69,2.69,2.69,4.96,5.774029587596173,6.588059175192346,7.402088762788519,8.216118350384692,9.030147937980864,9.844177525577038,10.65820711317321,11.472236700769386,12.286266288365558,13.10029587596173,zero
+272,8.1,97,3.205399807239469e+17,2.38,0.8671004876833833,178.2,Ring,Enzyme,1,0.07540758121996108,0.053838349044653365,6.99,1.7368746801527104,1.3929683134291522,1.2845514144132582,1.2429941514390495,1.225454767468587,1.218042758255859,1.2148109882721119,1.2136443004878104,1.2128823069535353,1.2126496776127977,1.08,1.08,1.08,1.08,1.08,1.08,1.08,1.08,1.08,1.08,1.08,0.57,2.3210417732824298,2.4356772288569495,2.4718161951955806,2.4856686161869836,2.491515077510471,2.493985747248047,2.495063003909296,2.4954518998373967,2.4957058976821553,2.4957834407957344,third
+280,11.23,96,1.325450041477914e+17,4.09,1.4085449700547104,181.2,Linear,Base,0,0.1631913407349234,0.12957871760321715,3.45,2.963567485008276,2.67491396113341,2.4881136507428168,2.36163972693093,2.2724658496957493,2.2087914453474617,2.161929754756908,2.127274635747926,2.101530099294601,2.0820682052858963,1.43,0.943567485008276,0.6549139611334099,0.4681136507428167,0.3416397269309302,0.2524658496957494,0.18879144534746226,0.14192975475690836,0.10727463574792667,0.08153009929460138,0.06206820528589709,4.12,4.606432514991725,4.895086038866591,5.081886349257184,5.20836027306907,5.2975341503042515,5.3612085546525385,5.408070245243092,5.442725364252074,5.468469900705399,5.487931794714104,second
+273,4.95,98,4.575029958537837e+17,2.79,1.0260415958332743,111.1,Ring,Base,0,0.08106255755217795,0.0679227986158335,4.0,3.9351499539582577,3.870299907916515,3.8054498618747727,3.7405998158330305,3.675749769791288,3.6108997237495455,3.546049677707803,3.4811996316660605,3.4163495856243182,3.3514995395825755,0.35,0.35,0.35,0.35,0.35,0.35,0.35,0.35,0.35,0.35,0.35,3.37,3.4348500460417424,3.499700092083485,3.5645501381252274,3.6294001841669696,3.694250230208712,3.7591002762504546,3.823950322292197,3.8888003683339396,3.953650414375682,4.018500460417425,zero
+275,7.56,91,2.183688416391209e+17,0.99,-0.01005033585350145,192.0,Branched,Acid,1,1.131485911562322,0.9230474544514712,7.46,5.834731658267268,5.833052960695904,5.832709674936445,5.832648488635336,5.8324228472746995,5.832734458049424,5.832489291921881,5.832496266508154,5.832715928609554,5.833067303138927,2.27,0.6447316582672683,0.6430529606959035,0.6427096749364449,0.6426484886353366,0.6424228472747011,0.642734458049425,0.6424892919218828,0.6424962665081557,0.6427159286095553,0.6430673031389285,2.97,4.595268341732732,4.596947039304096,4.597290325063555,4.597351511364664,4.5975771527253,4.597265541950576,4.597510708078119,4.597503733491846,4.597284071390446,4.596932696861073,second
+277,12.54,94,7.142320575007949e+16,1.65,0.5007752879124892,142.8,Branched,Acid,0,0.13408019058256312,0.10423281562375189,4.58,3.4251300467398416,2.8076389117308698,2.422357618118915,2.160776598374784,1.974918097653107,1.835903676202149,1.728712216783808,1.6449917929767075,1.5779046133970187,1.5230967736986476,3.36,2.205130046739841,1.5876389117308694,1.2023576181189144,0.9407765983747839,0.7549180976531068,0.6159036762021487,0.508712216783808,0.42499179297670736,0.35790461339701857,0.30309677369864735,2.94,4.094869953260159,4.71236108826913,5.097642381881085,5.359223401625217,5.545081902346894,5.684096323797852,5.791287783216193,5.875008207023293,5.942095386602982,5.996903226301353,second
+270,4.35,97,1.3412179721710624e+17,2.71,0.9969486348916096,149.8,Branched,Enzyme,0,0.02296378766304031,0.011776722345167422,9.27,6.143954903339332,5.301553003335377,4.905017690323365,4.6801577722424765,4.541793994705199,4.451315126694503,4.390871071986657,4.349138425744198,4.32030453879568,4.300013307261864,2.51,0.9469774516696658,0.5257765016676882,0.32750884516168216,0.21507888612123782,0.14589699735259934,0.10065756334725104,0.07043553599332794,0.04956921287209852,0.03515226939783975,0.025006653630931446,3.43,4.993022548330335,5.414223498332311,5.612491154838318,5.724921113878762,5.7941030026474,5.839342436652749,5.869564464006672,5.890430787127901,5.90484773060216,5.9149933463690685,third
+273,11.85,100,3.538771502394193e+16,1.75,0.5596157879354227,23.6,Linear,Base,0,0.0025977281728457964,0.0017220637014529407,7.44,7.216831189987372,7.006661112659704,6.808382346752819,6.621001973032756,6.443667028871482,6.2755999413953445,6.116088154099499,5.964484126847903,5.82020533587332,5.682734273777315,4.84,4.84,4.84,4.84,4.84,4.84,4.84,4.84,4.84,4.84,4.84,2.27,2.3815844050063144,2.486669443670148,2.5858088266235906,2.679499013483622,2.7681664855642594,2.852200029302328,2.9319559229502508,3.0077579365760485,3.0798973320633403,3.1486328631113425,second
+273,3.67,91,4.300167346497802e+17,2.14,0.7608058290337602,141.8,Ring,Acid,0,1.6645997830246106,0.8655476891839645,8.59,2.2671973345915455,0.5996553461100625,0.15849460367271773,0.04187408703961682,0.011087795276793874,0.002928515894300116,0.0007740260203002843,0.00020514317296660488,5.445460826809382e-05,1.4545205645656893e-05,3.24,3.24,3.24,3.24,3.24,3.24,3.24,3.24,3.24,3.24,3.24,1.84,8.162802665408455,9.830344653889938,10.271505396327283,10.388125912960385,10.418912204723208,10.427071484105701,10.429225973979701,10.429794856827034,10.429945545391732,10.429985454794355,first
+277,7.39,91,4.437227689522339e+16,4.31,1.4609379041156563,105.5,Unknown,Enzyme,0,0.3064612360123246,0.17287041662494027,2.95,2.3085675302104316,1.8066379096591458,1.412781818568496,1.1050021269590582,0.8656455626659274,0.6785064752047802,0.5307327462278408,0.4151496499023039,0.3251367308121094,0.2547187395942949,4.4,4.4,4.4,4.4,4.4,4.4,4.4,4.4,4.4,4.4,4.4,2.43,2.43,2.43,2.43,2.43,2.43,2.43,2.43,2.43,2.43,2.43,first
+275,8.57,98,1.1567830487995627e+17,1.78,0.5766133643039938,156.5,Ring,Acid,0,0.028057783284693178,0.024259087701653564,4.94,4.7403739540718295,4.567718617793588,4.4172042319735425,4.285401009133154,4.169338614699198,4.066459173070887,3.9746172676198688,3.8922703596708006,3.81831618574471,3.7516746131645147,1.94,1.7403739540718297,1.5677186177935878,1.4172042319735427,1.285401009133154,1.169338614699198,1.0664591730708868,0.9746172676198687,0.8922703596708008,0.8183161857447101,0.7516746131645147,0.14,0.33962604592817025,0.5122813822064121,0.6627957680264572,0.7945989908668459,0.910661385300802,1.013540826929113,1.1053827323801313,1.1877296403291993,1.26168381425529,1.3283253868354854,second
+275,2.84,98,3.89081098379443e+16,0.97,-0.030459207484708574,55.4,Linear,None,0,0.009437165551336116,0.007779142937194105,8.73,8.543806508593716,8.372855991387853,8.215475713353596,8.070217778059364,7.935918456664719,7.811525923076984,7.696085836035291,7.588741339110584,7.488733060705617,7.395399114054958,2.95,2.763806508593717,2.592855991387853,2.435475713353597,2.2902177780593647,2.15591845666472,2.0315259230769844,1.9160858360352913,1.808741339110584,1.708733060705618,1.6153991140549588,4.47,4.656193491406283,4.827144008612146,4.984524286646402,5.129782221940634,5.264081543335279,5.388474076923014,5.503914163964708,5.6112586608894155,5.711266939294381,5.804600885945041,second
+278,10.97,98,7.689739782348243e+16,3.81,1.3376291891386096,145.8,Branched,Enzyme,0,0.0296207821374221,0.02362895461301156,8.24,4.06244745825182,3.076442631006354,2.5794767396990395,2.2691125523837665,2.048985628231069,1.884949562889875,1.75569802019739,1.6498637264249352,1.561754233246172,1.4867975820342463,4.04,1.9512237291259102,1.458221315503177,1.2097383698495197,1.0545562761918832,0.9444928141155344,0.8624747814449374,0.7978490100986949,0.7449318632124675,0.7008771166230859,0.6633987910171231,1.09,3.1787762708740903,3.6717786844968234,3.9202616301504807,4.075443723808117,4.185507185884466,4.267525218555063,4.332150989901305,4.385068136787533,4.429122883376914,4.466601208982877,third
+276,10.22,90,1.5069060900370778e+17,2.96,1.085189268335969,77.8,Branched,None,0,1.3945568381338154,0.7764909922224714,1.36,0.37243739170069484,0.26834893538978066,0.22062066161494084,0.19173694925526802,0.1718150314750906,0.15700194542508564,0.14559156223917913,0.13628272027151295,0.12852773763559916,0.12196208150982621,4.52,4.52,4.52,4.52,4.52,4.52,4.52,4.52,4.52,4.52,4.52,0.44,0.7691875360997683,0.8038836882034064,0.8197931127950197,0.8294210169149105,0.8360616561749697,0.8409993515249714,0.8448028125869402,0.8479057599094957,0.8504907541214669,0.8526793061633913,third
+276,11.2,91,4.593052913820368e+17,0.65,-0.4307829160924542,148.7,Linear,None,0,2.7490883840909284,1.9774887576589415,5.61,0.2195175892921,0.11186408973859148,0.07506956103396421,0.05646114929790111,0.0453101377017938,0.03776615990149397,0.03243059067086995,0.02839493499855275,0.025243148489489102,0.02272241357159578,4.09,4.09,4.09,4.09,4.09,4.09,4.09,4.09,4.09,4.09,4.09,1.38,4.075241205353951,4.129067955130705,4.147465219483019,4.15676942535105,4.162344931149104,4.166116920049253,4.168784704664565,4.1708025325007245,4.172378425755256,4.173638793214203,second
+275,9.89,100,1.9086338419402653e+17,2.8,1.0296194171811581,94.9,Ring,Base,1,0.01930287725731833,0.012757646978444738,8.05,6.4854228322367025,5.453695204095628,4.726618179694018,4.194298384648308,3.7835766127067734,3.462429606449081,3.2079495208507316,3.0008354828655346,2.8292102032632456,2.6866185848656974,1.01,1.01,1.01,1.01,1.01,1.01,1.01,1.01,1.01,1.01,1.01,1.86,2.6422885838816494,3.158152397952186,3.521690910152991,3.7878508076758464,3.993211693646614,4.15378519677546,4.281025239574635,4.3845822585672325,4.470394898368378,4.5416907075671515,second
+271,10.52,97,3.3773828419573286e+17,0.91,-0.09431067947124129,134.6,Ring,Base,0,0.06782243303542139,0.05153626793081885,5.24,1.6638533167007759,1.2074236855365292,0.9950028933028474,0.8660329231934135,0.7764889166393791,0.7100331559005613,0.6586882908536675,0.616666516292046,0.5817154209001544,0.5521043993254803,4.26,4.26,4.26,4.26,4.26,4.26,4.26,4.26,4.26,4.26,4.26,0.14,1.332048894433075,1.484192104821157,1.5549990355657177,1.5979890256021956,1.6278370277868737,1.6499889480331464,1.6671039030487775,1.6811111612359848,1.6927615263666154,1.7026318668915066,third
+275,3.94,98,1.5920416645457024e+17,3.06,1.1184149159642893,116.4,Linear,Enzyme,1,0.038614984936354645,0.02263788059469286,1.94,1.5971343622618204,1.3887794738192787,1.2471544917780344,1.147342954952494,1.0727570329157108,1.016291299565093,0.973151882500153,0.9391533467820239,0.9119230163130532,0.8901599614876198,2.11,1.9385671811309102,1.8343897369096394,1.763577245889017,1.7136714774762472,1.6763785164578553,1.6481456497825464,1.6265759412500764,1.6095766733910117,1.5959615081565266,1.5850799807438098,1.08,1.2514328188690897,1.3556102630903606,1.4264227541109828,1.4763285225237528,1.5136214835421447,1.5418543502174535,1.5634240587499235,1.5804233266089882,1.5940384918434733,1.60492001925619,third
+273,4.15,95,1.9809047748424298e+17,4.96,1.601405740736836,157.3,Linear,None,1,0.13161873814423497,0.09619487195831689,6.86,3.2839222709484486,2.5732024498915336,2.357166298670808,2.283730914060565,2.256750936042342,2.2477505050187196,2.2440866682824887,2.243241314285739,2.2424872538544807,2.242485231145001,1.28,1.28,1.28,1.28,1.28,1.28,1.28,1.28,1.28,1.28,1.28,4.57,6.358038864525776,6.713398775054233,6.821416850664596,6.858134542969718,6.871624531978829,6.87612474749064,6.877956665858756,6.87837934285713,6.8787563730727594,6.8787573844275,second
+280,5.83,93,9.753366510501958e+16,1.09,0.08617769624105241,134.5,Branched,Enzyme,1,0.43567773097825724,0.28615009938994856,2.09,1.8926242391694046,1.7829181325200545,1.7203630762725195,1.6860594209946278,1.6661829682672882,1.6552187918577415,1.6494027117814245,1.6456322781488195,1.6437278194610854,1.6428025122927998,4.23,4.23,4.23,4.23,4.23,4.23,4.23,4.23,4.23,4.23,4.23,2.05,2.247375760830595,2.357081867479945,2.4196369237274804,2.453940579005372,2.4738170317327115,2.4847812081422584,2.4905972882185754,2.49436772185118,2.4962721805389143,2.4971974877072,first
+280,10.25,98,1.6206506600647258e+17,3.7,1.308332819650179,168.4,Linear,Acid,0,0.08450941802108992,0.05422598668681909,7.58,1.9532318051126507,1.287585190631197,0.9885673634885377,0.813071899689107,0.6941478482050842,0.608933140288804,0.5434104274333384,0.491434589021652,0.4494050912851545,0.4144253038560718,4.97,2.156615902556325,1.8237925953155982,1.6742836817442688,1.5865359498445535,1.5270739241025422,1.484466570144402,1.4517052137166693,1.4257172945108258,1.4047025456425772,1.387212651928036,0.56,3.373384097443675,3.706207404684402,3.8557163182557317,3.943464050155447,4.0029260758974585,4.045533429855599,4.078294786283331,4.104282705489175,4.1252974543574235,4.142787348071965,third
+271,5.45,95,4.1642977659749926e+17,2.08,0.7323678937132266,76.5,Unknown,Base,0,0.20316283751122483,0.14945095035241138,3.07,2.609469673239281,2.217943327062768,1.884690064902166,1.6016187477654356,1.3615489847639477,1.157876632331549,0.9845737942245647,0.8368672420429281,0.7113320728559271,0.6046357508798195,2.73,2.73,2.73,2.73,2.73,2.73,2.73,2.73,2.73,2.73,2.73,0.84,1.3005303267607187,1.6920566729372317,2.0253099350978334,2.308381252234564,2.548451015236052,2.7521233676684504,2.9254262057754348,3.0731327579570715,3.1986679271440726,3.3053642491201805,first
+274,12.16,90,3.444934914008621e+17,2.16,0.7701082216960737,36.1,Unknown,None,0,2.3944062704069116,2.074410186189489,9.53,0.29549302151265133,0.2089921869537828,0.17070610152535312,0.14771890747555766,0.13223655512917004,0.1206439960944032,0.11167858586786363,0.1045299647399055,0.09855867623858575,0.09347864536827527,0.54,0.54,0.54,0.54,0.54,0.54,0.54,0.54,0.54,0.54,0.54,0.59,3.6681689928291155,3.697002604348738,3.7097646328248812,3.71742703084148,3.7225878149569422,3.7264520013018645,3.729440471377378,3.7318233450866973,3.733813774587137,3.735507118210574,third
+280,13.65,96,2.8032386555660836e+16,4.64,1.534714366238164,31.5,Ring,Base,0,0.0345138828538349,0.020145997244113846,4.75,4.722388893716932,4.694777787433864,4.667166681150796,4.639555574867728,4.61194446858466,4.584333362301592,4.556722256018524,4.529111149735456,4.501500043452388,4.4738889371693205,0.16,0.16,0.16,0.16,0.16,0.16,0.16,0.16,0.16,0.16,0.16,4.54,4.567611106283068,4.595222212566136,4.622833318849204,4.650444425132272,4.67805553141534,4.705666637698408,4.733277743981476,4.760888850264544,4.788499956547612,4.81611106283068,zero
+280,9.76,100,8.645840778478886e+16,4.23,1.4422019930581866,111.6,Branched,Base,0,0.019094350349335324,0.011006696678641837,1.16,1.1424150937001243,1.125096764105126,1.1080409701126572,1.0912437309941578,1.0747011264747133,1.0584092989660168,1.042364447552514,1.0265628275601124,1.011000750556182,0.9956745843495548,0.98,0.98,0.98,0.98,0.98,0.98,0.98,0.98,0.98,0.98,0.98,2.11,2.11,2.11,2.11,2.11,2.11,2.11,2.11,2.11,2.11,2.11,first
+271,3.9,91,4.8946967561810176e+17,0.68,-0.3856624808119846,150.8,Unknown,None,1,1.4094417346744776,0.7077252662331557,6.45,1.0271253768372273,1.0268966152780978,1.0269671218393708,1.0284895104786604,1.0262629944399608,1.0275759601846866,1.027677375394329,1.026523630999973,1.028266233340492,1.027499432748704,3.36,3.36,3.36,3.36,3.36,3.36,3.36,3.36,3.36,3.36,3.36,0.35,2.157624874387591,2.157701128240634,2.1576776260535433,2.1571701631737805,2.1579123351866807,2.1574746799384386,2.1574408748685583,2.1578254563333434,2.157244588886504,2.157500189083767,third
+274,3.97,97,1.426476198509222e+17,2.0,0.6931471805599453,82.9,Ring,Base,0,0.04589565230854889,0.04099855239959464,3.01,2.901487552514232,2.796887057867845,2.6960574642783275,2.598862299633122,2.5051709848257984,2.414857714668872,2.327800793617339,2.243882635768673,2.162989764862828,2.0850128142822366,4.25,4.25,4.25,4.25,4.25,4.25,4.25,4.25,4.25,4.25,4.25,0.48,0.48,0.48,0.48,0.48,0.48,0.48,0.48,0.48,0.48,0.48,first
+274,8.73,90,3.333131292683963e+17,2.58,0.9477893989335261,166.9,Unknown,Enzyme,0,2.31669702520017,1.800895723566338,6.2,4.346642379839864,2.4932847596797285,0.6399271395195911,-1.2134304806405445,-3.066788100800681,-4.920145720960818,-6.7735033411209535,-8.626860961281093,-10.48021858144123,-12.333576201601362,0.09,0.09,0.09,0.09,0.09,0.09,0.09,0.09,0.09,0.09,0.09,3.13,4.983357620160136,6.836715240320272,8.69007286048041,10.543430480640545,12.39678810080068,14.250145720960818,16.103503341120955,17.956860961281095,19.81021858144123,21.663576201601362,zero
+276,1.36,95,8.751623901967525e+16,3.52,1.2584609896100056,160.8,Branched,Base,0,0.09164837945981281,0.08098401568709791,6.46,2.0201031514951495,1.3809867670033156,1.085749557602664,0.9075317784874526,0.7865859650864507,0.6971811897867992,0.6289480137448596,0.5741465430859768,0.5289297967255189,0.4910484931212206,3.97,1.7500515757475754,1.4304933835016584,1.2828747788013326,1.193765889243727,1.133292982543226,1.0885905948934003,1.0544740068724305,1.027073271542989,1.0044648983627602,0.9855242465606111,0.22,2.4399484242524254,2.7595066164983426,2.907125221198668,2.9962341107562738,3.0567070174567745,3.1014094051066006,3.1355259931275703,3.1629267284570117,3.1855351016372406,3.2044757534393895,third
+270,10.57,91,3.537181408518531e+17,3.29,1.1908875647772805,103.7,Unknown,Base,0,0.877027463932201,0.44463462450416574,1.12,0.16107928635124524,0.08815639732404136,0.060769493500419554,0.046365251138554706,0.037551329551660524,0.031499906478289465,0.027175407696032702,0.023881253322764615,0.02129092911089635,0.01920896820083469,4.18,3.7005396431756226,3.6640781986620206,3.6503847467502095,3.643182625569277,3.6387756647758303,3.6357499532391446,3.633587703848016,3.631940626661382,3.6306454645554482,3.629604484100417,0.65,1.1294603568243775,1.1659218013379795,1.1796152532497903,1.1868173744307229,1.1912243352241698,1.1942500467608554,1.1964122961519836,1.1980593733386178,1.199354535444552,1.2003955158995827,third
+271,4.42,90,4.3067759194301754e+17,4.98,1.6054298910365616,141.9,Unknown,Enzyme,0,1.932984283641904,1.2397109805438256,4.98,1.0729466727491936,0.8784247936820808,0.8356469996864051,0.8243532711337087,0.821222701639103,0.8203437262927324,0.8200966842107005,0.8200271693710108,0.820007718042606,0.8200023736872638,4.16,0.25294667274919314,0.05842479368208041,0.01564699968640467,0.004353271133708314,0.0012227016391026127,0.0003437262927321194,9.668421070012336e-05,2.7169371010373357e-05,7.718042605504404e-06,2.3736872633319623e-06,0.08,3.9870533272508073,4.18157520631792,4.224353000313595,4.235646728866292,4.238777298360898,4.239656273707268,4.2399033157893,4.23997283062899,4.239992281957395,4.2399976263127375,second
+280,5.7,98,1.1061776386530586e+17,1.68,0.5187937934151675,48.8,Unknown,Enzyme,0,0.05768203523070171,0.0355297042790864,9.71,5.663387655622521,5.253688677981288,5.151502290083014,5.122325544435557,5.113683232603907,5.111103273967299,5.110330849908613,5.110099143390249,5.110029608226077,5.110009321689427,2.3,0.2766938278112593,0.07184433899064321,0.020751145041506384,0.006162772217777855,0.0018416163019530137,0.0005516369836487034,0.0001654249543060188,4.95716951244681e-05,1.4804113038611185e-05,4.660844713409798e-06,1.54,3.5633061721887405,3.7681556610093567,3.8192488549584938,3.8338372277822224,3.8381583836980475,3.8394483630163516,3.8398345750456944,3.8399504283048764,3.839985195886962,3.8399953391552875,third
+276,3.88,99,1.2268252536943627e+17,3.64,1.2919836816486494,60.5,Unknown,Acid,1,0.02247852146083172,0.013638048433378734,7.35,5.894248023197623,4.960554781050876,4.312871812746046,3.849185599821388,3.4984903034620345,3.2278492325504904,3.0177910864494546,2.8509383835556283,2.714825873291079,2.604058628650201,0.17,0.17,0.17,0.17,0.17,0.17,0.17,0.17,0.17,0.17,0.17,4.22,4.947875988401187,5.414722609474562,5.738564093626977,5.970407200089306,6.145754848268982,6.281075383724755,6.386104456775272,6.469530808222186,6.53758706335446,6.592970685674899,second
+270,2.13,96,1.8505809478011043e+17,0.65,-0.4307829160924542,69.7,Branched,None,1,0.049467602437630896,0.03228646782990123,1.63,1.5439190483019027,1.4714132360166243,1.409880955877949,1.3572504306592734,1.3123748070854382,1.2741944872712003,1.2416729841916,1.2137969216819608,1.1895760344378892,1.1681619058634443,2.22,2.133919048301903,2.0614132360166244,1.9998809558779493,1.9472504306592737,1.9023748070854385,1.8641944872712006,1.8316729841916004,1.8037969216819612,1.7795760344378895,1.7581619058634446,1.91,1.996080951698097,2.0685867639833755,2.1301190441220506,2.182749569340726,2.2276251929145614,2.2658055127287993,2.2983270158083995,2.3262030783180387,2.3504239655621104,2.3718380941365553,second
+277,10.1,96,2.152898257888369e+17,1.32,0.27763173659827955,44.7,Linear,Acid,0,0.16958590337266674,0.11754113038281513,8.05,6.926480061121033,6.534787814487678,6.38057573062812,6.316820203458608,6.2899339163807575,6.278502704026086,6.273629969509256,6.271550736749973,6.270662952052309,6.2702839932311445,1.78,0.656480061121032,0.26478781448767713,0.1105757306281189,0.046820203458607115,0.019933916380756436,0.008502704026084695,0.003629969509254343,0.001550736749971819,0.0006629520523069885,0.00028399323114333555,3.26,4.383519938878967,4.775212185512323,4.92942426937188,4.993179796541392,5.020066083619243,5.031497295973915,5.036370030490745,5.038449263250027,5.039337047947692,5.039716006768856,second
+273,9.91,94,2.5686857794325366e+17,4.96,1.601405740736836,81.9,Unknown,Acid,0,0.26515980658864935,0.20472761613082102,1.25,1.011071827593688,0.8178221126621689,0.6611343925715838,0.5343860485889631,0.4323740791515346,0.35025125123686784,0.28355215993261385,0.2293311180781661,0.1855064609946297,0.15006937816470184,4.52,4.52,4.52,4.52,4.52,4.52,4.52,4.52,4.52,4.52,4.52,0.95,0.95,0.95,0.95,0.95,0.95,0.95,0.95,0.95,0.95,0.95,first
+277,3.97,99,3.626027794594526e+17,3.48,1.247032293786383,57.0,Linear,Acid,1,0.0776352251315063,0.045726710148664224,8.42,4.314425358163819,3.0856573255414768,2.549227674541802,2.278310342941193,2.128662531008448,2.0451013734676318,1.995283934424371,1.9672614266833548,1.9500354943926987,1.9397165577129352,3.63,3.63,3.63,3.63,3.63,3.63,3.63,3.63,3.63,3.63,3.63,3.04,5.092787320918091,5.707171337229262,5.975386162729099,6.1108448285294035,6.185668734495776,6.227449313266184,6.252358032787814,6.266369286658322,6.2749822528036505,6.280141721143532,second
+280,13.02,93,4.012208618535926e+16,1.86,0.62057648772511,141.1,Unknown,Acid,0,0.17922324002209344,0.12830301525952192,2.87,1.2627324113638743,0.8857717826967734,0.7002279784932081,0.5860948548168315,0.5072022098768606,0.4489239076433531,0.40424153386815664,0.3681248676016346,0.3384289395313021,0.31355010758385493,2.09,1.286366205681937,1.0978858913483867,1.0051139892466041,0.9480474274084159,0.9086011049384304,0.8794619538216767,0.8571207669340783,0.8390624338008174,0.8242144697656512,0.8117750537919276,1.22,2.0236337943180627,2.212114108651613,2.304886010753396,2.3619525725915844,2.4013988950615697,2.4305380461783233,2.4528792330659215,2.470937566199183,2.485785530234349,2.4982249462080723,third
+280,7.27,91,1.7982977004917194e+17,4.95,1.599387576580599,44.4,Unknown,Acid,0,1.8966642297788385,0.9726022094015672,3.28,1.7452445064368352,1.7400528737729757,1.7400007379184557,1.7399989140838223,1.7399990867319495,1.7400012635871716,1.7399991378358324,1.7399993708537658,1.7400008029258758,1.7400003604284735,0.77,0.0026222532184177376,2.6436886487941067e-05,3.689592278259628e-07,-5.429580888195475e-07,-4.566340252093199e-07,6.317935858495404e-07,-4.3108208367859674e-07,-3.145731170517405e-07,4.0146293795853336e-07,1.8021423688931086e-07,3.12,3.8873777467815827,3.889973563113513,3.8899996310407734,3.8900005429580897,3.8900004566340263,3.889999368206415,3.890000431082085,3.8900003145731183,3.889999598537063,3.889999819785764,third
+277,1.37,95,4.7484762302843475e+17,4.2,1.4350845252893227,104.3,Unknown,Base,0,0.5774309120071986,0.374582934286424,3.2,2.7380552703942413,2.2761105407884825,1.8141658111827232,1.3522210815769644,0.8902763519712054,0.42833162236544564,-0.033613107240313855,-0.49555783684607313,-0.9575025664518333,-1.4194472960575935,0.73,0.73,0.73,0.73,0.73,0.73,0.73,0.73,0.73,0.73,0.73,2.38,2.8419447296057587,3.3038894592115176,3.765834188817277,4.227778918423036,4.689723648028795,5.151668377634555,5.6136131072403135,6.075557836846073,6.537502566451833,6.9994472960575935,zero
+276,6.42,94,2.480792279334186e+17,4.87,1.5830939370944985,135.3,Linear,None,0,0.401688430632904,0.3412790597397787,7.96,1.3052541190129108,0.7106663230701069,0.488322640292638,0.37209939948561166,0.3005963112122423,0.25203025487006664,0.21693876948114676,0.1906633102521011,0.169868343622887,0.1531494009021252,3.72,3.72,3.72,3.72,3.72,3.72,3.72,3.72,3.72,3.72,3.72,1.32,4.647372940493545,4.944666838464948,5.055838679853682,5.113950300257195,5.14970184439388,5.173984872564967,5.191530615259427,5.20466834487395,5.215065828188557,5.223425299548938,second
+270,4.72,97,9.975882712103336e+16,1.28,0.2468600779315258,81.2,Branched,Enzyme,1,0.01708029992927337,0.012006895696612386,8.97,5.65333872707445,4.640776538376458,4.1288132302780065,3.8220684632594693,3.6180853436882536,3.4778894193310608,3.3757325046274573,3.3004650155618425,3.2447485758241332,3.20211439350698,3.55,1.8916693635372248,1.3853882691882282,1.1294066151390025,0.9760342316297342,0.8740426718441262,0.8039447096655298,0.7528662523137282,0.715232507780921,0.6873742879120662,0.6660571967534896,4.88,6.538330636462775,7.044611730811772,7.3005933848609965,7.4539657683702645,7.5559573281558725,7.626055290334469,7.6771337476862715,7.714767492219078,7.742625712087933,7.76394280324651,third
+272,9.18,97,3.203498578478158e+17,2.87,1.0543120297715298,153.4,Unknown,Acid,1,0.07536285448668043,0.05193808779596447,2.57,1.43492336322282,1.1483764351072272,1.0187047534570755,0.9478823709451142,0.906917824913209,0.8811965015293562,0.865555536402116,0.8552921921103026,0.8485915122917684,0.8442944459503873,2.99,2.99,2.99,2.99,2.99,2.99,2.99,2.99,2.99,2.99,2.99,0.27,0.6483588789257265,0.7438745216309242,0.787098415514308,0.8107058763516285,0.8243607250289302,0.8329344994902145,0.8381481545326278,0.8415692692965656,0.843802829236077,0.845235184683204,third
+273,9.56,95,6.4516300159589e+16,2.14,0.7608058290337602,42.0,Linear,Enzyme,1,0.042867048050885065,0.02257569790967347,6.83,2.2481937361617597,1.7983839491450042,1.6439295124711408,1.578209959335326,1.5483980700959195,1.5346466930230804,1.5279136545652878,1.524489131604091,1.523430795912672,1.5224954233050505,3.66,3.66,3.66,3.66,3.66,3.66,3.66,3.66,3.66,3.66,3.66,4.92,6.447268754612748,6.597205350284999,6.64869016250962,6.670596680221559,6.6805339766346945,6.685117768992307,6.6873621151449045,6.688503622798637,6.688856401362443,6.68916819223165,third
+272,8.09,94,3.3743969743342746e+17,4.58,1.5216989981260935,184.6,Unknown,None,0,0.2991349363176686,0.1832286716545709,2.46,2.2206920509458654,1.9813841018917302,1.7420761528375952,1.5027682037834604,1.2634602547293254,1.0241523056751902,0.7848443566210555,0.5455364075669209,0.3062284585127859,0.06692050945865136,0.46,0.46,0.46,0.46,0.46,0.46,0.46,0.46,0.46,0.46,0.46,0.2,0.43930794905413484,0.6786158981082698,0.9179238471624047,1.1572317962165397,1.3965397452706745,1.6358476943248097,1.8751556433789445,2.1144635924330792,2.3537715414872142,2.5930794905413483,zero
+270,6.94,95,3.062093086471288e+17,2.4,0.8754687373538999,145.0,Linear,Base,0,0.12779085650906433,0.09115143124277365,2.37,1.1260926246824665,0.8452503200394413,0.7054648020504017,0.6176462576049752,0.5564529982737335,0.5099760744308152,0.4738523570875698,0.44458049342857936,0.41986700200955984,0.39885582182080986,3.52,3.52,3.52,3.52,3.52,3.52,3.52,3.52,3.52,3.52,3.52,1.41,1.8246357917725111,1.9182498933201861,1.964845065983199,1.9941179141316747,2.0145156672420885,2.030007975189728,2.042049214304143,2.051806502190473,2.06004433266348,2.067048059393063,third
+273,8.11,92,3.7799862803007834e+17,1.53,0.4252677354043441,155.0,Unknown,None,0,0.941829115562395,0.577745346086558,2.88,1.3541902566298742,0.6386628890456418,0.3011266094237969,0.1419047134200019,0.06678184910554158,0.03145050712701562,0.01482717594246055,0.006990765254612071,0.0032908130075462103,0.001550809068329755,1.08,1.08,1.08,1.08,1.08,1.08,1.08,1.08,1.08,1.08,1.08,3.09,3.09,3.09,3.09,3.09,3.09,3.09,3.09,3.09,3.09,3.09,first
+273,13.78,100,1.4242181298987309e+17,3.22,1.169381359556317,144.0,Unknown,Base,1,0.010454847276272558,0.00782828847497288,5.67,4.980498746264293,4.541189809201437,4.231649900625495,4.00307784901009,3.824542900033019,3.682457355741986,3.567640303201411,3.472564902123201,3.3922140521111794,3.32410086941276,1.69,1.3452493731321462,1.125594904600718,0.9708249503127477,0.856538924505045,0.7672714500165093,0.6962286778709929,0.6388201516007053,0.5912824510616003,0.5511070260555897,0.5170504347063798,1.44,1.7847506268678537,2.0044050953992816,2.1591750496872524,2.273461075494955,2.3627285499834905,2.433771322129007,2.4911798483992946,2.5387175489383997,2.57889297394441,2.6129495652936203,third
+277,9.77,95,1.0170304591202834e+17,4.32,1.463255402256019,76.9,Linear,Base,0,0.12367437406625886,0.09324307356859217,9.51,8.03513091471564,7.451588516783804,7.188609415757909,7.0629224171329446,7.001366510564952,6.97080443688407,6.955476748467115,6.947777994860782,6.943918739545313,6.941973706872748,2.57,1.095130914715641,0.5115885167838041,0.24860941575790835,0.12292241713294447,0.06136651056495225,0.030804436884069357,0.015476748467114946,0.0077779948607820636,0.0039187395453138514,0.001973706872748827,1.66,3.134869085284359,3.7184114832161956,3.9813905842420914,4.107077582867055,4.168633489435048,4.19919556311593,4.214523251532885,4.222222005139218,4.226081260454687,4.228026293127252,second
+278,6.41,91,3.181923296268617e+17,4.9,1.589235205116581,38.1,Unknown,Acid,0,2.5332777428728597,1.6092103299214573,8.91,4.0106592483818675,4.010000272583949,4.00999940375979,4.010001265440249,4.009999555604318,4.010000804669946,4.00999991721496,4.010000345799669,4.010000555197645,4.010000154245326,4.9,0.0006592483818672354,2.725839478809003e-07,-5.962402119813918e-07,1.2654402475545207e-06,-4.443956834827487e-07,8.046699434564825e-07,-8.278504189847106e-08,3.457996665339238e-07,5.551976432267528e-07,1.5424532484279696e-07,3.79,8.689340751618134,8.689999727416057,8.690000596240218,8.689998734559758,8.690000444395688,8.68999919533006,8.690000082785044,8.689999654200337,8.68999944480236,8.689999845754679,second
+276,10.56,98,2.0338201453458186e+17,3.8,1.33500106673234,166.1,Unknown,Acid,1,0.057618288906999965,0.02977252970630617,1.84,1.6004539568276166,1.41479371350404,1.2679106845701074,1.1508707300521814,1.0570341516716346,0.9805355267372935,0.9169597769176248,0.8644136020249827,0.8208527176569501,0.7845359704229239,3.63,3.3904539568276166,3.20479371350404,3.0579106845701074,2.9408707300521817,2.8470341516716346,2.7705355267372935,2.7069597769176243,2.6544136020249827,2.61085271765695,2.574535970422924,1.46,1.6995460431723832,1.8852062864959598,2.0320893154298925,2.149129269947818,2.242965848328365,2.3194644732627063,2.3830402230823755,2.435586397975017,2.47914728234305,2.515464029577076,second
+274,7.0,94,2.6934445595672522e+17,1.72,0.5423242908253617,91.1,Linear,Enzyme,1,0.3234058195088851,0.2571746206024842,2.91,0.8366358908115952,0.7629694312474876,0.7560414308380253,0.7553434625742553,0.755247331916978,0.7556778247743379,0.7548518616822406,0.7557595910891584,0.7557881559483262,0.7556217681665618,3.61,2.573317945405797,2.5364847156237436,2.5330207154190125,2.5326717312871274,2.532623665958489,2.532838912387169,2.53242593084112,2.5328797955445794,2.5328940779741633,2.532810884083281,0.74,1.7766820545942026,1.8135152843762563,1.8169792845809876,1.8173282687128725,1.817376334041511,1.8171610876128312,1.8175740691588798,1.8171202044554209,1.817105922025837,1.817189115916719,third
+274,7.46,90,5.8347339997026296e+16,0.53,-0.6348782724359695,142.8,Ring,Base,0,0.40554390790471156,0.3101359201492308,1.0,0.6098456799412704,0.4375709322264748,0.34085216527680723,0.27956283839811213,0.23665023288975046,0.2052225682699751,0.18134717766577776,0.16225881208930343,0.14680996809513308,0.1340489309054807,3.04,3.04,3.04,3.04,3.04,3.04,3.04,3.04,3.04,3.04,3.04,2.14,2.335077160029365,2.4212145338867628,2.469573917361596,2.5002185808009436,2.5216748835551246,2.537388715865012,2.549326411167111,2.5588705939553478,2.566595015952433,2.5729755345472594,second
+275,9.07,93,1.6230737080223405e+17,2.37,0.8628899551470398,136.0,Branched,Base,0,0.3506668496873671,0.21400989073729104,5.53,2.7432730634664346,2.628155078979265,2.6126602557716803,2.610394378871969,2.610058134377209,2.6100089283318173,2.610001432067691,2.6099999191479464,2.610000280139614,2.610000099934594,1.46,0.06663653173321789,0.009077539489633076,0.0013301278858404834,0.00019718943598496386,2.9067188604904092e-05,4.46416590928695e-06,7.160338459499329e-07,-4.042602636067651e-08,1.400698076700983e-07,4.9967297527640466e-08,1.38,2.773363468266782,2.8309224605103673,2.83866987211416,2.839802810564015,2.8399709328113953,2.839995535834091,2.8399992839661543,2.840000040426027,2.8399998599301925,2.839999950032703,third
+273,12.84,94,3.513113155026189e+17,3.83,1.3428648031925547,144.9,Ring,Base,0,0.36265097590744444,0.20312302073512478,3.1,2.9518692062217813,2.9409640429615505,2.9400786805137833,2.940006768169101,2.9400009274729135,2.9400004595530134,2.939998965714613,2.9400000497556014,2.9400019183171917,2.9400003366375507,0.08,0.005934603110890513,0.0004820214807753539,3.9340256891658905e-05,3.3840845504839053e-06,4.637364566015992e-07,2.2977650650154225e-07,-5.17142693639663e-07,2.4877800633840904e-08,9.59158595813071e-07,1.683187750529857e-07,1.49,1.5640653968891094,1.5695179785192248,1.5699606597431084,1.5699966159154495,1.5699995362635433,1.5699997702234934,1.5700005171426936,1.5699999751221994,1.5699990408414042,1.5699998316812247,third
+275,9.97,94,6.543252490450888e+16,4.84,1.5769147207285403,74.7,Linear,None,1,0.09128494168822437,0.07213301732287476,2.82,2.999639127389062,3.1331766371048357,3.2304771060124136,3.3000006642699438,3.34958037628183,3.3845755948145397,3.408865260371768,3.4259525725039395,3.4379035603351245,3.4461904558918826,0.12,0.29963912738906207,0.433176637104836,0.5304771060124136,0.6000006642699438,0.6495803762818304,0.6845755948145398,0.7088652603717683,0.72595257250394,0.7379035603351248,0.7461904558918827,4.0,3.8203608726109377,3.686823362895164,3.5895228939875863,3.519999335730056,3.4704196237181693,3.4354244051854597,3.411134739628231,3.39404742749606,3.382096439664875,3.373809544108117,second
+277,2.13,97,2.0069143930411146e+17,4.03,1.3937663759585917,188.8,Ring,Enzyme,0,0.10240368197340553,0.06218821206667851,6.24,1.3932122620225826,0.9971719885930933,0.8180949046768448,0.7098738431873892,0.6359418547126247,0.5807101895862085,0.5382422739203699,0.503853129150641,0.4750823557441709,0.45073828009337696,3.58,3.58,3.58,3.58,3.58,3.58,3.58,3.58,3.58,3.58,3.58,0.62,2.2355959126591394,2.3676093371356357,2.4273016984410516,2.4633753856042033,2.4880193817624585,2.5064299368045972,2.52058590869321,2.532048956949786,2.541639214751943,2.549753906635541,third
+272,2.72,91,4.546894825290668e+17,4.35,1.4701758451005926,28.5,Unknown,Enzyme,0,1.5188819954038897,0.7887045176517147,6.51,0.38867435362732317,0.20016178749483904,0.13481807398306003,0.10161511423664699,0.08163281694969643,0.06809743815812877,0.058490239660642956,0.05125144180118962,0.045575252606974447,0.041032637482999915,2.11,2.11,2.11,2.11,2.11,2.11,2.11,2.11,2.11,2.11,2.11,4.16,7.220662823186339,7.314919106252582,7.347590963008471,7.364192442881677,7.374183591525153,7.380951280920936,7.385754880169679,7.389374279099405,7.392212373696513,7.3944836812585,second
+276,4.32,92,2.665861806579976e+17,2.63,0.9669838461896731,34.5,Unknown,Base,0,1.0319582070266977,0.7063220601669074,6.05,2.647925319321753,1.1613531604303988,0.5092014684777052,0.22335124396676287,0.09796384566710385,0.04294145279439387,0.018810094858195552,0.008241052971266597,0.0036125551579861085,0.0015857295004899888,0.44,0.44,0.44,0.44,0.44,0.44,0.44,0.44,0.44,0.44,0.44,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,first
+280,6.98,100,3.514636860957797e+17,3.5,1.252762968495368,47.0,Unknown,None,1,0.07762079975016997,0.0585052759635174,8.03,4.454600775159771,4.069081468172183,3.966280432458614,3.934674934245394,3.9245703702078387,3.9213567906263074,3.92023358353093,3.9198957648360806,3.9197690559713716,3.919774863658151,2.18,0.39230038757988595,0.19954073408609158,0.14814021622930712,0.13233746712269717,0.12728518510391948,0.1256783953131538,0.12511679176546514,0.12494788241804038,0.1248845279856859,0.12488743182907558,0.49,2.2776996124201143,2.470459265913908,2.521859783770693,2.537662532877303,2.5427148148960805,2.544321604686846,2.544883208234535,2.5450521175819594,2.545115472014314,2.545112568170924,third
+276,10.36,95,4.327523440000299e+17,3.69,1.3056264580524357,81.1,Ring,Acid,1,0.45318504861848163,0.32168075466722396,3.76,1.1916573003825663,1.1854731357407287,1.185964699651432,1.186184645425021,1.1851772176380213,1.1873183512341623,1.1848867496509052,1.1868108646086157,1.1847308912569046,1.1860959216977418,1.14,1.14,1.14,1.14,1.14,1.14,1.14,1.14,1.14,1.14,1.14,1.49,2.3461142332058107,2.3481756214197564,2.348011766782855,2.347938451524992,2.3482742607873255,2.3475605495886116,2.348371083449697,2.347729711797127,2.348423036247697,2.347968026100751,third
+274,12.19,91,1.9651537337784496e+17,2.77,1.0188473201992472,167.1,Linear,None,1,0.8805805595269929,0.7512702261338382,3.18,3.2734084929737697,3.2761493772347694,3.276617829847351,3.2764879736349037,3.276064236932043,3.275559124436066,3.2748295693661564,3.2745627012006273,3.2756972041304406,3.2757400051746193,1.03,1.12340849297377,1.1261493772347695,1.126617829847351,1.1264879736349038,1.1260642369320433,1.125559124436066,1.124829569366157,1.1245627012006274,1.1256972041304405,1.1257400051746191,4.42,4.3265915070262295,4.32385062276523,4.323382170152649,4.323512026365095,4.323935763067956,4.324440875563933,4.325170430633843,4.325437298799374,4.324302795869561,4.324259994825382,second
+274,4.05,97,4.4650885277259936e+17,4.41,1.4838746894587547,184.6,Unknown,None,0,0.14366040653855172,0.11466326227068471,6.51,5.803207660711556,5.173155387532527,4.611194044599016,4.109659463313013,3.6626872226529565,3.264766983488676,2.9106874786444967,2.5955365128992396,2.3147009629862234,2.0638667775932635,4.5,4.5,4.5,4.5,4.5,4.5,4.5,4.5,4.5,4.5,4.5,0.52,0.52,0.52,0.52,0.52,0.52,0.52,0.52,0.52,0.52,0.52,first
+278,4.42,91,4.190092625902058e+17,2.97,1.0885619528146082,165.7,Linear,Base,1,3.3359284311538895,1.8850597475777253,3.61,0.9287009180263988,0.9273807331949753,0.9282670031748242,0.9286893583511262,0.9274520059918313,0.9281559386790743,0.9285597586140625,0.927145689081743,0.9288005369416787,0.9281879850415782,1.8,1.8,1.8,1.8,1.8,1.8,1.8,1.8,1.8,1.8,1.8,0.52,1.413766360657867,1.4142064222683417,1.4139109989417251,1.4137702138829584,1.41418266466939,1.4139480204403085,1.4138134137953124,1.4142847703060855,1.4137331543527734,1.413937338319473,third
+272,12.05,100,2.0251559052389728e+17,4.29,1.4562867329399256,60.0,Unknown,None,0,0.012643086407342066,0.007891420725326073,6.17,3.4014910680936223,2.609891762880763,2.195441280960437,1.933120015601619,1.7447954264083307,1.6041502224754234,1.492779872218886,1.4010100693571237,1.3244160449349862,1.2591350400782497,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,3.94,4.862836310635459,5.126702745706413,5.264852906346522,5.352293328132795,5.415068191197224,5.461949925841527,5.499073375927039,5.529663310214293,5.555194651688339,5.576954986640584,third
+279,10.06,97,1.6001615739614163e+17,1.18,0.16551443847757333,115.7,Unknown,Acid,0,0.11042757587764392,0.0922211628910016,5.57,5.481657939297885,5.39331587859577,5.3049738178936545,5.216631757191539,5.128289696489424,5.039947635787309,4.9516055750851935,4.863263514383078,4.774921453680964,4.686579392978848,0.48,0.48,0.48,0.48,0.48,0.48,0.48,0.48,0.48,0.48,0.48,1.33,1.418342060702115,1.5066841214042304,1.5950261821063454,1.6833682428084604,1.7717103035105757,1.860052364212691,1.948394424914806,2.036736485616921,2.1250785463190365,2.2134206070211517,zero
+272,8.97,96,1.2957471272554526e+17,4.8,1.5686159179138452,123.0,Unknown,Acid,1,0.04743502265026698,0.037153086249322224,1.03,1.1133655965246383,1.1877461223224501,1.2531192152191313,1.3097670924343316,1.35814427807681,1.3988811888511712,1.4327841340578638,1.4608188745905897,1.4838336617746577,1.5025848628529925,0.18,0.22168279826231913,0.25887306116122505,0.2915596076095656,0.31988354621716575,0.34407213903840506,0.3644405944255855,0.3813920670289318,0.3954094372952948,0.40691683088732883,0.41629243142649613,1.72,1.6783172017376808,1.641126938838775,1.6084403923904345,1.5801164537828343,1.555927860961595,1.5355594055744146,1.5186079329710682,1.5045905627047051,1.4930831691126711,1.483707568573504,third
+273,12.14,91,4.685457597632515e+17,2.48,0.9082585601768908,196.3,Ring,Enzyme,0,1.8137460875196394,1.0743817764662034,3.0,0.3375812998212,0.2393868292200027,0.1956280456727903,0.16964041131481084,0.15165288269718538,0.13852330750265474,0.12830450516991038,0.11998907267679113,0.11311796251611422,0.10730496226981835,3.04,3.04,3.04,3.04,3.04,3.04,3.04,3.04,3.04,3.04,3.04,3.71,4.597472900059601,4.63020439026,4.644790651442404,4.653453196228398,4.659449039100939,4.663825564165783,4.667231831610031,4.6700036424410705,4.672294012494629,4.674231679243395,third
+272,2.32,93,6.091624472738294e+16,1.88,0.6312717768418578,97.2,Unknown,Acid,0,0.08403305279411016,0.07193133450926685,8.01,7.4892173788038106,7.0022944766961235,6.547000259568313,6.121269301182331,5.723233438883978,5.351117880787596,5.003239472729524,4.678006698268097,4.373919678683644,4.089570172978491,2.91,2.91,2.91,2.91,2.91,2.91,2.91,2.91,2.91,2.91,2.91,4.32,4.8407826211961895,5.327705523303877,5.782999740431687,6.208730698817669,6.6067665611160225,6.978882119212404,7.326760527270476,7.6519933017319035,7.956080321316356,8.240429827021508,first
+273,13.87,99,3.940862462059314e+17,0.51,-0.6733445532637656,155.2,Unknown,None,1,0.04494434435550194,0.03450753276812012,1.8,1.7358641933263896,1.6888304952847384,1.6536026508054231,1.6267861777281112,1.6066875291155729,1.5916625963169728,1.5799755448302109,1.570551729636826,1.5632423330709062,1.557558524237462,0.72,0.6879320966631948,0.6644152476423691,0.6468013254027115,0.6333930888640555,0.6233437645577864,0.6158312981584864,0.6099877724151054,0.605275864818413,0.6016211665354531,0.598779262118731,1.68,1.7120679033368051,1.7355847523576307,1.7531986745972885,1.7666069111359446,1.7766562354422137,1.7841687018415135,1.7900122275848946,1.7947241351815872,1.798378833464547,1.801220737881269,third
+274,10.0,95,2.8046275696939658e+17,3.67,1.3001916620664788,139.9,Linear,Enzyme,1,0.21710545273199575,0.18037137039209414,3.21,2.354217721572324,2.009270132680335,1.8501034019074314,1.7723584614731227,1.7334029865893263,1.7130445507069023,1.7028873120140768,1.69749849841247,1.6946217816790892,1.6933085696444328,2.77,1.9142177215723235,1.5692701326803344,1.4101034019074306,1.3323584614731219,1.2934029865893255,1.2730445507069015,1.262887312014076,1.257498498412469,1.2546217816790883,1.253308569644432,1.03,1.8857822784276763,2.2307298673196656,2.389896598092569,2.4676415385268777,2.506597013410674,2.526955449293098,2.5371126879859234,2.5425015015875307,2.545378218320911,2.5466914303555677,second
+276,2.59,96,1.1010068682069547e+17,1.17,0.1570037488096647,118.4,Linear,Enzyme,1,0.07456987156799556,0.05269464658990915,4.14,2.908396869858394,2.3313900907752565,2.0152389381892877,1.8279009131844806,1.7128216985966902,1.6384472830952077,1.5913318018317322,1.5597820970628868,1.5388584242761918,1.5250956602883066,2.99,2.99,2.99,2.99,2.99,2.99,2.99,2.99,2.99,2.99,2.99,1.85,2.465801565070803,2.7543049546123717,2.9123805309053563,3.0060495434077596,3.0635891507016546,3.100776358452396,3.1243340990841335,3.140108951468556,3.1505707878619034,3.157452169855846,second
+273,3.29,92,2.5401675115917818e+17,1.04,0.03922071315328133,187.7,Linear,Enzyme,0,0.6329133344453429,0.5423476819463876,5.77,3.727407683035117,3.5119560090804254,3.477177424813498,3.471238602722021,3.470214558014999,3.470036905561773,3.4700064305295637,3.4700010639155483,3.47000008204946,3.470000244360291,2.3,0.2574076830351165,0.04195600908042525,0.007177424813497884,0.0012386027220206526,0.00021455801499906105,3.6905561772684e-05,6.430529563311667e-06,1.06391554824171e-06,8.20494599666057e-08,2.443602905673838e-07,2.54,4.582592316964883,4.798043990919574,4.832822575186501,4.8387613972779775,4.839785441985,4.839963094438226,4.839993569470436,4.83999893608445,4.839999917950538,4.839999755639708,second
+272,3.91,98,7.281408387709085e+16,1.62,0.4824261492442928,142.7,Ring,None,0,0.01100784080625987,0.006471285768413892,3.4,3.2079009899845845,3.036351156211492,2.88216343905329,2.7427437671370263,2.616261195942193,2.5010997464486246,2.395810839766968,2.299113297138675,2.2098933399360114,2.1272045896620475,0.32,0.32,0.32,0.32,0.32,0.32,0.32,0.32,0.32,0.32,0.32,1.89,1.9860495050077076,2.0718244218942536,2.148918280473355,2.2186281164314865,2.2818694020289034,2.3394501267756875,2.392094580116516,2.440443351430662,2.4850533300319944,2.5263977051689763,second
+278,5.62,91,1.0230255300823534e+17,1.26,0.23111172096338664,58.5,Branched,None,0,0.8144784032938399,0.4235312622838897,3.72,1.9375327259920665,1.0108126025960658,0.5276653762358547,0.27484130522318906,0.14342422387307524,0.07487183617326548,0.038997554570156016,0.020350114929717507,0.0106238743629628,0.005538126263358479,2.61,2.61,2.61,2.61,2.61,2.61,2.61,2.61,2.61,2.61,2.61,1.6,1.6,1.6,1.6,1.6,1.6,1.6,1.6,1.6,1.6,1.6,first
+273,2.4,93,3.18515158173003e+17,1.43,0.3576744442718159,106.4,Branched,None,0,0.510821779444899,0.3660400584190654,5.28,3.508690074705893,2.3309035246336522,1.5487748411522613,1.0304634329026303,0.6842156593862526,0.4554770416893421,0.3024561967253688,0.20117289039272343,0.13381425840227482,0.08893222783017982,3.96,3.96,3.96,3.96,3.96,3.96,3.96,3.96,3.96,3.96,3.96,2.7,4.471309925294108,5.649096475366348,6.431225158847739,6.94953656709737,7.295784340613747,7.524522958310658,7.677543803274631,7.778827109607277,7.846185741597725,7.89106777216982,first
+276,11.37,96,4.3360905372992794e+17,2.4,0.8754687373538999,136.4,Unknown,Acid,0,0.2936781993015052,0.1544706786116149,8.89,7.39763855823828,7.170608958212111,7.129452987946355,7.121776647589653,7.120334583032371,7.120062721022601,7.120011714379902,7.120002118381684,7.120000418657325,7.1200002224112415,1.77,0.2776385582382803,0.050608958212110505,0.009452987946354297,0.0017766475896521115,0.00033458303237139046,6.272102260048896e-05,1.171437990123275e-05,2.1183816836049294e-06,4.1865732397613527e-07,2.2241124112484534e-07,3.14,4.63236144176172,4.859391041787889,4.900547012053646,4.908223352410348,4.909665416967629,4.9099372789774,4.9099882856200985,4.909997881618316,4.909999581342675,4.909999777588759,second
+274,8.77,95,7.117434968780426e+16,3.79,1.332366019094335,76.6,Ring,Base,1,0.05509586933698382,0.03261011380185757,4.78,3.4205568348520474,2.7094040541153426,2.2819619948932433,2.0025133663739973,1.8138039195223854,1.6789790233818833,1.5812655760351657,1.5102049193259606,1.4566426148516596,1.416004320309821,3.35,3.35,3.35,3.35,3.35,3.35,3.35,3.35,3.35,3.35,3.35,1.03,1.7097215825739762,2.065297972942329,2.2790190025533787,2.4187433168130013,2.5130980402388072,2.5805104883090584,2.629367211982417,2.6648975403370194,2.69167869257417,2.7119978398450892,second
+276,2.97,96,4.919615319005893e+17,3.23,1.172482137234565,150.1,Unknown,Acid,0,0.33319963126084307,0.19899714688882505,9.76,6.520019050725733,6.519999813353167,6.519998690656507,6.520001188303156,6.519998865978216,6.520002393184664,6.519999154911767,6.520000161896898,6.519999844231883,6.520000434609765,1.62,9.525362867115532e-06,-9.33234160033111e-08,-6.546717456404716e-07,5.941515784992735e-07,-5.670108910948076e-07,1.1965923326038924e-06,-4.225441155831572e-07,8.09484498667085e-08,-7.7884058270992e-08,2.1730488273681717e-07,0.56,2.179990474637133,2.180000093323416,2.180000654671746,2.1799994058484216,2.1800005670108913,2.1799988034076674,2.180000422544116,2.1799999190515504,2.180000077884058,2.179999782695117,third
+273,8.08,98,2.841202685633877e+17,2.13,0.7561219797213337,119.5,Ring,Acid,0,0.05034178099572633,0.03757068375497275,1.89,1.8497265752034189,1.8094531504068379,1.7691797256102566,1.7289063008136756,1.6886328760170946,1.6483594512205135,1.6080860264239325,1.5678126016273513,1.5275391768307705,1.4872657520341892,4.57,4.57,4.57,4.57,4.57,4.57,4.57,4.57,4.57,4.57,4.57,2.72,2.760273424796581,2.8005468495931627,2.8408202743897437,2.8810936991863247,2.9213671239829058,2.961640548779487,3.001913973576068,3.042187398372649,3.08246082316923,3.1227342479658113,zero
+272,5.26,92,4.600272244261511e+17,3.84,1.3454723665996355,117.3,Ring,None,0,0.9875216050143123,0.7171302558290908,9.4,8.60998271598855,7.819965431977101,7.0299481479656505,6.239930863954202,5.449913579942752,4.659896295931301,3.8698790119198514,3.0798617279083995,2.2898444438969507,1.4998271598854993,0.35,0.35,0.35,0.35,0.35,0.35,0.35,0.35,0.35,0.35,0.35,4.0,4.79001728401145,5.580034568022899,6.37005185203435,7.160069136045799,7.950086420057248,8.7401037040687,9.53012098808015,10.3201382720916,11.110155556103049,11.9001728401145,zero
+274,9.59,94,4.825779758420211e+16,1.32,0.27763173659827955,187.8,Branched,Base,0,0.05794384191045048,0.04307796086985783,4.56,4.513644926471639,4.467289852943279,4.420934779414918,4.374579705886557,4.328224632358197,4.281869558829837,4.235514485301477,4.189159411773116,4.142804338244756,4.096449264716395,2.98,2.98,2.98,2.98,2.98,2.98,2.98,2.98,2.98,2.98,2.98,2.69,2.73635507352836,2.7827101470567204,2.829065220585081,2.8754202941134412,2.9217753676418017,2.968130441170162,3.0144855146985226,3.060840588226883,3.1071956617552434,3.153550735283604,zero
+274,13.15,90,1.3088019766299326e+17,3.17,1.1537315878891892,144.0,Linear,None,0,0.9096844317203924,0.542378668991871,7.94,3.834983714910605,1.8517511326869085,0.8947502991041075,0.4328757240243738,0.20923055192657286,0.10102370963366641,0.04883891018521994,0.02363080042046469,0.011420730017510558,0.005519378995935557,1.5,1.5,1.5,1.5,1.5,1.5,1.5,1.5,1.5,1.5,1.5,2.69,6.795016285089395,8.778248867313092,9.735249700895892,10.197124275975625,10.420769448073425,10.528976290366334,10.58116108981478,10.606369199579534,10.618579269982488,10.624480621004064,first
+272,6.96,96,4.177670699683301e+17,3.2,1.1631508098056809,139.7,Branched,Acid,0,0.15293717431160925,0.09233507615873623,6.48,6.357650260550713,6.235300521101425,6.112950781652137,5.99060104220285,5.8682513027535625,5.745901563304275,5.623551823854988,5.5012020844057,5.378852344956413,5.256502605507126,1.9,1.9,1.9,1.9,1.9,1.9,1.9,1.9,1.9,1.9,1.9,0.72,0.8423497394492874,0.9646994788985749,1.0870492183478622,1.2093989577971496,1.331748697246437,1.4540984366957246,1.576448176145012,1.6987979155942994,1.8211476550435872,1.9434973944928746,zero
+277,13.48,95,4.856790763908758e+17,3.83,1.3428648031925547,172.7,Unknown,None,0,0.5906023288788868,0.34403059107201583,6.11,0.5424738816274803,0.3183337381247371,0.22870514221091018,0.17930164390015751,0.14797636709589168,0.12606534008388368,0.11006614687772921,0.09761353174729265,0.08773820676173108,0.07970701765451842,4.23,1.44623694081374,1.3341668690623685,1.2893525711054552,1.264650821950079,1.248988183547946,1.238032670041942,1.2300330734388647,1.2238067658736465,1.2188691033808656,1.2148535088272592,4.72,7.503763059186259,7.61583313093763,7.660647428894543,7.685349178049919,7.701011816452052,7.711967329958056,7.719966926561133,7.7261932341263515,7.731130896619132,7.735146491172738,third
+276,1.99,94,3.127620026287215e+17,4.34,1.4678743481123135,135.0,Linear,None,1,0.5064223999893036,0.419297411075609,5.29,1.4654044220477007,1.3222409544693312,1.3105988210165862,1.3095698036012204,1.3094926081088323,1.3074981504206356,1.311521850648521,1.3099498238871412,1.3091527674829277,1.3094542707399892,3.67,3.67,3.67,3.67,3.67,3.67,3.67,3.67,3.67,3.67,3.67,0.08,1.9922977889761497,2.063879522765334,2.0697005894917067,2.0702150981993896,2.0702536959455835,2.0712509247896818,2.069239074675739,2.070025088056429,2.070423616258536,2.070272864630005,second
+280,8.98,96,2.5705897292826e+17,4.93,1.5953389880545987,71.5,Linear,None,0,0.3164947536863021,0.23046472642321894,5.92,1.4853646385421815,0.8484080403227693,0.594136195895351,0.45752729333428477,0.37135798737320846,0.3130953468840528,0.27017025548965473,0.23774731428625046,0.21247317165532206,0.1918641841339248,4.99,4.99,4.99,4.99,4.99,4.99,4.99,4.99,4.99,4.99,4.99,2.01,4.227317680728909,4.545795979838615,4.672931902052324,4.741236353332857,4.784321006313395,4.8134523265579725,4.834914872255172,4.851126342856874,4.863763414172339,4.8740679079330365,second
+274,3.27,97,4.7898373449419085e+17,2.4,0.8754687373538999,114.6,Ring,Base,1,0.1541089221311221,0.09562811146215555,8.48,1.477282499875658,1.3647972098311447,1.3522694319307924,1.3505123463120943,1.3498762085678813,1.3504591399809458,1.3488309213164074,1.3520603916471787,1.350602638579997,1.350585811300236,2.46,2.46,2.46,2.46,2.46,2.46,2.46,2.46,2.46,2.46,2.46,1.59,3.9242391667081145,3.961734263389619,3.9659101893564035,3.966495884562636,3.966707930477374,3.966513620006352,3.9670563595611985,3.9659798694509414,3.966465787140002,3.9664713962332554,third
+273,4.56,98,4.260430701127157e+17,1.94,0.6626879730752367,172.2,Linear,Acid,0,0.07548833822665552,0.04670986649511178,2.8,2.6359106680378654,2.481437601288214,2.3360157006261324,2.1991080142246875,2.070223874249512,1.9488988316846654,1.834690934015736,1.7271807252298357,1.6259712458156041,1.5306880327632055,3.65,3.65,3.65,3.65,3.65,3.65,3.65,3.65,3.65,3.65,3.65,4.39,4.39,4.39,4.39,4.39,4.39,4.39,4.39,4.39,4.39,4.39,first
+280,7.89,97,2.8444544816370803e+17,3.04,1.1118575154181303,190.7,Ring,Acid,0,0.22791542169087925,0.11695350901232963,9.46,9.277667662647298,9.095335325294595,8.91300298794189,8.730670650589188,8.548338313236483,8.36600597588378,8.183673638531078,8.001341301178373,7.81900896382567,7.636676626472966,3.84,3.84,3.84,3.84,3.84,3.84,3.84,3.84,3.84,3.84,3.84,3.33,3.512332337352704,3.694664674705407,3.8769970120581103,4.059329349410814,4.241661686763517,4.423994024116221,4.606326361468924,4.788658698821627,4.970991036174331,5.1533233735270345,zero
+276,9.6,92,7.59969039669186e+16,4.71,1.5496879080283263,151.0,Linear,None,1,0.2941848994711897,0.23881635324512185,1.46,1.0574434024735986,0.9377689111761708,0.8974754807883928,0.8828826464551636,0.8777065835647632,0.8759353344208597,0.8751452830319884,0.8748844963395493,0.8749613717729737,0.8748345582848279,0.82,0.82,0.82,0.82,0.82,0.82,0.82,0.82,0.82,0.82,0.82,0.65,0.8512782987632007,0.9111155444119146,0.9312622596058037,0.9385586767724182,0.9411467082176185,0.9420323327895702,0.9424273584840057,0.9425577518302253,0.942519314113513,0.942582720857586,second
+270,5.05,96,4.606964294827034e+17,1.14,0.131028262406404,162.2,Branched,Enzyme,1,0.1231480732856642,0.0909977228787414,3.01,1.5357502457351684,1.1803853645050455,1.0280955265820624,0.9515777426913977,0.9101106996245216,0.8866360034790016,0.8731362979120566,0.8655579139544556,0.8608680166588553,0.8581562887719143,2.22,1.4828751228675847,1.3051926822525233,1.2290477632910315,1.1907888713456993,1.1700553498122612,1.1583180017395014,1.1515681489560288,1.1477789569772283,1.145434008329428,1.1440781443859578,0.05,0.7871248771324157,0.964807317747477,1.0409522367089685,1.079211128654301,1.099944650187739,1.1116819982604988,1.1184318510439715,1.122221043022772,1.1245659916705721,1.1259218556140425,third
+278,9.13,93,3.342604892069307e+17,1.75,0.5596157879354227,194.3,Unknown,None,1,1.120149001813021,0.676271873836331,9.62,2.0459825210419558,2.0460873951819782,2.0452203936886413,2.0441743425757,2.0465936905846243,2.0476785408605362,2.044758464251866,2.0481935836066896,2.0448310395301563,2.0453981394825727,2.43,2.43,2.43,2.43,2.43,2.43,2.43,2.43,2.43,2.43,2.43,3.14,6.927008739479021,6.92695630240901,6.927389803155679,6.92791282871215,6.926703154707687,6.926160729569731,6.927620767874067,6.9259032081966545,6.927584480234922,6.927300930258713,second
+275,8.22,96,1.1470814578127365e+17,0.98,-0.020202707317519466,191.6,Linear,Acid,1,0.0667264026020614,0.05800390625681551,3.08,1.692845461374054,1.4392683595967812,1.352979618384051,1.3194295604737933,1.3047707584928434,1.2992248414479242,1.29623744914979,1.2955456035028439,1.2949637195777244,1.2946796467211121,1.53,1.53,1.53,1.53,1.53,1.53,1.53,1.53,1.53,1.53,1.53,1.9,2.362384846208648,2.4469105468010723,2.475673460538649,2.4868568131754016,2.4917430805023852,2.4935917195173585,2.4945875169500695,2.4948181321657183,2.4950120934740916,2.4951067844262957,third
+279,12.1,91,1.594227939874916e+17,4.01,1.3887912413184778,167.5,Linear,Base,1,1.461605876311349,1.28344723551244,5.7,4.532259422225351,4.5314283993581395,4.53163596214928,4.532150011920225,4.532076067386836,4.5316471036975825,4.531360871176326,4.5310928231655,4.531080874871157,4.531695089410689,1.86,0.6922594222253514,0.6914283993581398,0.6916359621492796,0.6921500119202249,0.6920760673868347,0.6916471036975809,0.6913608711763252,0.6910928231654987,0.6910808748711555,0.6916950894106864,2.4,3.5677405777746483,3.5685716006418597,3.56836403785072,3.567849988079775,3.5679239326131653,3.5683528963024194,3.568639128823675,3.568907176834501,3.5689191251288443,3.568304910589314,second
+274,1.54,92,2.9297989353757075e+17,3.74,1.3190856114264407,181.9,Branched,None,1,0.8463814214901452,0.6757035002860341,3.42,1.6716398261443317,1.6636938310691962,1.665512359193422,1.6634139509732797,1.665371326412968,1.6627733125749402,1.6655988807417592,1.6631199367476108,1.6659927267288968,1.6648225976111866,2.95,2.95,2.95,2.95,2.95,2.95,2.95,2.95,2.95,2.95,2.95,2.59,3.4641800869278336,3.4681530844654014,3.4672438204032883,3.46829302451336,3.4673143367935157,3.46861334371253,3.4672005596291204,3.4684400316261943,3.4670036366355514,3.4675887011944067,second
+276,10.21,94,1.7264663651381155e+17,1.96,0.6729444732424258,21.0,Ring,Acid,1,0.27954842109511524,0.22857793150003974,5.41,1.1590202336197344,1.1042163986560347,1.1000307570493755,1.099692285921989,1.1002820077345232,1.0993109280099929,1.0992389597885077,1.100328380251353,1.1008960517744952,1.0999730881329677,4.77,4.77,4.77,4.77,4.77,4.77,4.77,4.77,4.77,4.77,4.77,0.19,1.6069932554600885,1.6252612004479883,1.6266564143168747,1.6267692380260035,1.626572664088492,1.6268963573300022,1.6269203467371638,1.626557206582882,1.6263679827418345,1.6266756372890103,third
+274,3.61,99,4.082222777188967e+17,4.12,1.415853163361435,188.9,Branched,Enzyme,0,0.05459026513997565,0.040965242715610334,4.12,4.076327787888019,4.0326555757760385,3.988983363664058,3.945311151552078,3.901638939440097,3.8579667273281166,3.8142945152161363,3.7706223031041555,3.726950090992175,3.6832778788801943,3.53,3.53,3.53,3.53,3.53,3.53,3.53,3.53,3.53,3.53,3.53,0.26,0.30367221211198053,0.34734442422396106,0.3910166363359416,0.4346888484479221,0.4783610605599026,0.5220332726718832,0.5657054847838636,0.6093776968958442,0.6530499090078248,0.6967221211198054,zero
+279,4.4,98,2.0393349316114077e+17,2.94,1.0784095813505903,185.0,Branched,Acid,1,0.09144807458543155,0.056562084094001326,4.49,3.8464951491746993,3.4584883923784444,3.208504999448661,3.042746814926885,2.9282097010516805,2.849387379650557,2.7937378436648324,2.753773333870934,2.7256038137644563,2.705507411777536,2.97,2.3264951491746997,1.938488392378445,1.6885049994486616,1.5227468149268852,1.408209701051681,1.329387379650557,1.2737378436648326,1.2337733338709338,1.2056038137644567,1.1855074117775362,3.02,3.6635048508253005,4.051511607621555,4.301495000551339,4.467253185073115,4.58179029894832,4.660612620349443,4.716262156335168,4.756226666129066,4.7843961862355435,4.804492588222464,second
+274,9.43,98,4.3459928060371994e+17,0.98,-0.020202707317519466,101.0,Ring,Base,0,0.0901471005255462,0.06112700995088608,1.26,0.9705367555725809,0.822450145030258,0.723654930452417,0.6533496391668814,0.6002392857463884,0.5588631900422717,0.5248311082842668,0.4960914067698766,0.47162824241418455,0.4504550701270613,2.0,2.0,2.0,2.0,2.0,2.0,2.0,2.0,2.0,2.0,2.0,2.99,3.0864877481424733,3.135849951656581,3.1687816898491947,3.1922167869443734,3.2099202380845377,3.22371226998591,3.2350562972385783,3.244636197743375,3.252790585861939,3.2598483099576465,third
+279,4.53,97,8.517884277527557e+16,4.8,1.5686159179138452,153.4,Branched,Base,0,0.05878214598323711,0.04959630209689519,4.65,4.436392299315397,4.23259714182107,4.038160276084272,3.852652327673675,3.6756680862544653,3.5068180235594006,3.345728275621258,3.192040642772834,3.0454125896469444,2.9055172451764246,2.14,2.14,2.14,2.14,2.14,2.14,2.14,2.14,2.14,2.14,2.14,1.22,1.4336077006846035,1.6374028581789306,1.8318397239157285,2.0173476723263257,2.1943319137455353,2.3631819764406,2.5242717243787425,2.6779593572271665,2.824587410353056,2.9644827548235764,first
+279,11.14,100,4.808620348772931e+16,4.18,1.430311246536665,101.7,Ring,None,1,0.00910439538515278,0.007147277825349957,8.03,7.955816043939149,7.886877661969016,7.8227443768992915,7.763021664382909,7.707370693012253,7.65547717648693,7.607049949137932,7.5618209659276285,7.519545302449772,7.480001154929496,1.4,1.3258160439391498,1.2568776619690176,1.1927443768992925,1.1330216643829103,1.077370693012254,1.0254771764869317,0.9770499491379333,0.9318209659276299,0.8895453024497734,0.850001154929497,0.86,0.9341839560608501,1.0031223380309824,1.0672556231007075,1.1269783356170897,1.182629306987746,1.2345228235130683,1.2829500508620666,1.3281790340723703,1.3704546975502265,1.409998845070503,second
+279,6.16,97,1.1407683970066442e+17,1.74,0.5538851132264376,172.0,Unknown,Acid,0,0.07872473053293486,0.06759037621365596,8.27,1.599102078979425,1.141519569354018,0.9348072611206448,0.8115183578674194,0.7259538798619403,0.6634511839667587,0.614643211762561,0.5749484314235948,0.5421366861002919,0.5143603909925849,2.18,2.18,2.18,2.18,2.18,2.18,2.18,2.18,2.18,2.18,2.18,1.91,4.133632640340191,4.28616014354866,4.355064246293118,4.3961605473775265,4.42468204004602,4.44551627201108,4.461785596079146,4.4750171895254685,4.485954437966569,4.495213203002471,third
+273,11.16,93,2.6755428233115338e+17,2.75,1.0116009116784799,53.0,Ring,None,1,0.42909277970459525,0.27865329455481586,2.51,1.4743334554400187,1.3808196439643399,1.3697271007767127,1.3682456217429988,1.367582239109735,1.367701579164666,1.3670571311886583,1.3689507736064634,1.3688017606617893,1.368103389368987,4.85,4.85,4.85,4.85,4.85,4.85,4.85,4.85,4.85,4.85,4.85,2.31,2.8278332722799906,2.87459017801783,2.8801364496116433,2.8808771891285003,2.8812088804451323,2.881149210417667,2.881471434405671,2.880524613196768,2.880599119669105,2.8809483053155063,second
+278,4.85,100,3.9451453440247776e+17,2.2,0.7884573603642703,184.6,Unknown,None,0,0.06396546134607432,0.051489991192970985,4.17,1.6602504299920382,1.223007296509344,1.0131949913632112,0.8834787226203543,0.7941154530114872,0.7271644049341953,0.6743098709366808,0.6319216271361383,0.5968705342560734,0.5667742589343421,3.83,3.83,3.83,3.83,3.83,3.83,3.83,3.83,3.83,3.83,3.83,3.41,4.246583190002654,4.392330901163552,4.462268336212263,4.505507092459882,4.5352948489961715,4.5576118650219355,4.575230043021106,4.5893594576212875,4.601043155247976,4.611075247021887,third
+273,13.23,97,3.103508571991301e+17,1.73,0.5481214085096876,196.0,Branched,Enzyme,0,0.0854322603321621,0.042729125343417586,2.61,2.54165419173427,2.4733083834685403,2.4049625752028105,2.336616766937081,2.2682709586713514,2.1999251504056216,2.131579342139892,2.063233533874162,1.9948877256084325,1.9265419173427027,4.53,4.53,4.53,4.53,4.53,4.53,4.53,4.53,4.53,4.53,4.53,4.97,5.0383458082657295,5.106691616531459,5.175037424797189,5.243383233062919,5.311729041328649,5.380074849594378,5.448420657860108,5.516766466125837,5.585112274391567,5.653458082657297,zero
+278,5.67,100,1.9214418902592234e+17,4.54,1.5129270120532565,68.6,Branched,Acid,0,0.031153710761570468,0.022040728320153087,1.23,1.1997236041012995,1.1701924609128702,1.141388225914847,1.1132929848976185,1.0858892943708385,1.0591601636214965,1.0330889944648378,1.007659581056966,0.9828561098948418,0.9586631598162852,3.5,3.5,3.5,3.5,3.5,3.5,3.5,3.5,3.5,3.5,3.5,4.32,4.32,4.32,4.32,4.32,4.32,4.32,4.32,4.32,4.32,4.32,first
+274,5.01,100,2.4789202927426992e+17,2.9,1.0647107369924282,108.4,Unknown,Base,1,0.0213715886839773,0.014325803126369453,1.98,1.8570700625802532,1.7500207353248989,1.6560068549180926,1.5731256304697583,1.4997507298747064,1.434436888236856,1.3759199078692337,1.323116658293975,1.2752972255029296,1.2319733701384759,0.29,0.29,0.29,0.29,0.29,0.29,0.29,0.29,0.29,0.29,0.29,0.09,0.15146496870987333,0.2049896323375506,0.25199657254095376,0.29343718476512093,0.3301246350626469,0.3627815558815721,0.39204004606538323,0.41844167085301254,0.4423513872485352,0.464013314930762,second
+275,12.27,100,6.554036801424939e+16,2.54,0.9321640810304452,172.0,Linear,Enzyme,1,0.006628393835312298,0.004851937703754989,7.66,4.559151753270363,3.571909808118243,3.0534668317481084,2.7253877954632513,2.4962203331503967,2.326208770938557,2.19733793601875,2.0947053501566257,2.011094220944281,1.9424717563492013,3.04,3.04,3.04,3.04,3.04,3.04,3.04,3.04,3.04,3.04,3.04,2.75,3.783616082243212,4.112696730627253,4.285511056083964,4.394870734845583,4.471259888949867,4.527930409687148,4.5708873546604165,4.605098216614459,4.632968593018573,4.655842747883599,third
+270,11.94,100,4.986467079221459e+16,2.85,1.0473189942805592,76.9,Unknown,Enzyme,0,0.002243526809313848,0.0017337131094370395,7.74,7.726120541297703,7.712265971403354,7.698436245686176,7.684631319595272,7.67085114865958,7.657095688487812,7.64336489476841,7.629658723269301,7.615977129837576,7.602320070399482,3.06,3.06,3.06,3.06,3.06,3.06,3.06,3.06,3.06,3.06,3.06,3.3,3.3,3.3,3.3,3.3,3.3,3.3,3.3,3.3,3.3,3.3,first
+277,7.85,98,2.8221678986776278e+17,0.89,-0.11653381625595151,188.8,Branched,Base,0,0.09328032570888761,0.07307706343953116,5.6,5.197315736765935,4.823588090102334,4.476720429232024,4.154745334754382,3.8559275843396335,3.578636574066641,3.321331385398222,3.0825607851811503,2.860963225646154,2.6552668444079184,2.46,2.46,2.46,2.46,2.46,2.46,2.46,2.46,2.46,2.46,2.46,4.72,4.72,4.72,4.72,4.72,4.72,4.72,4.72,4.72,4.72,4.72,first
+274,9.93,99,5.505927543164573e+16,1.08,0.0769610411361284,149.5,Linear,Base,1,0.007362901557024341,0.004924487957849372,1.31,1.2839242028632314,1.2601261380365893,1.2383364004856388,1.2183239359359004,1.1998974583999324,1.182897797922041,1.1671813536485542,1.1526199358694684,1.139100766018448,1.126526476672826,3.5,3.5,3.5,3.5,3.5,3.5,3.5,3.5,3.5,3.5,3.5,1.05,1.058691932378923,1.0666246206544703,1.073887866504787,1.0805586880213667,1.0867008472000226,1.0923674006926531,1.097606215450482,1.102460021376844,1.1069664113271842,1.1111578411090581,third
+271,5.84,91,3.869567327527934e+17,2.12,0.7514160886839212,124.9,Linear,Enzyme,0,1.1142528246848873,0.7457044500453813,1.6,0.4167178781800096,0.23935115588940029,0.16800312901308548,0.12942787744157236,0.10517012834764335,0.08866002304821358,0.07660652750627998,0.06738454626199415,0.060212673115078136,0.0544261818056699,0.72,0.72,0.72,0.72,0.72,0.72,0.72,0.72,0.72,0.72,0.72,0.81,1.4016410609099954,1.4903244220553,1.5259984354934575,1.545286061279214,1.5574149358261784,1.5656699884758933,1.5716967362468603,1.5763077268690031,1.5798936634424612,1.5827869090971654,second
+271,5.86,98,2.629103511843384e+17,4.49,1.501852701754163,98.4,Branched,Acid,0,0.03387240609230528,0.030058923473160335,7.54,7.338425110151045,7.142239140239841,6.951297835071378,6.7654608367100035,6.584592155550283,6.408559167315759,6.23723256875967,6.070486377664949,5.9081979328442245,5.750247894139818,1.05,1.05,1.05,1.05,1.05,1.05,1.05,1.05,1.05,1.05,1.05,1.95,2.151574889848956,2.3477608597601596,2.538702164928623,2.7245391632899967,2.9054078444497176,3.081440832684242,3.252767431240331,3.4195136223350517,3.5818020671557766,3.739752105860182,first
+277,12.94,97,4.180371401433005e+17,3.04,1.1118575154181303,51.7,Ring,Base,0,0.21330527351212986,0.18208026488346604,6.4,2.0131659790126335,1.195965799257078,0.8499912280545537,0.6590652229526525,0.5389281163632205,0.45510325701445054,0.394180326252214,0.34784600301279506,0.3109319178208079,0.281105634061898,1.92,1.92,1.92,1.92,1.92,1.92,1.92,1.92,1.92,1.92,1.92,1.44,3.633417010493684,4.042017100371462,4.215004385972724,4.310467388523675,4.370535941818391,4.4124483714927765,4.442909836873895,4.4660769984936035,4.4845340410895975,4.499447182969052,second
+277,12.37,94,2.9012143307321837e+17,0.72,-0.3285040669720361,186.4,Branched,Base,1,0.5446344312051572,0.4066297884102356,6.33,1.5390813266365497,1.4217362542548546,1.4143145617799389,1.4136880755161407,1.4132294227741953,1.4160031708108387,1.4142384281238116,1.4139572969464227,1.4133441587086022,1.4143718576808626,1.12,1.12,1.12,1.12,1.12,1.12,1.12,1.12,1.12,1.12,1.12,0.22,2.615459336681725,2.674131872872573,2.6778427191100307,2.67815596224193,2.678385288612903,2.676998414594581,2.6778807859380946,2.678021351526789,2.6783279206456996,2.6778140711595695,second
+280,11.09,92,7.659142245475019e+16,2.79,1.0260415958332743,86.9,Branched,Base,0,0.5257145253030858,0.34913945329960266,9.04,5.935711344280309,3.897844921869189,2.557144912372169,1.6829564211774564,1.104230951493238,0.725967649632012,0.47681347781665845,0.313122872502451,0.20593331588002414,0.13523414819595628,2.61,2.61,2.61,2.61,2.61,2.61,2.61,2.61,2.61,2.61,2.61,2.7,2.7,2.7,2.7,2.7,2.7,2.7,2.7,2.7,2.7,2.7,first
+278,1.72,90,2.125855290004743e+16,1.84,0.6097655716208943,49.8,Linear,Enzyme,0,0.2608723041102303,0.14268878935785367,8.17,6.63109998575143,5.381481077321898,4.36640682502591,3.544268754327066,2.8783123035638796,2.336353591339704,1.8953227565820643,1.5381605052686038,1.249320473226928,1.0147325521715849,0.02,0.02,0.02,0.02,0.02,0.02,0.02,0.02,0.02,0.02,0.02,1.49,3.0289000142485705,4.278518922678103,5.293593174974091,6.115731245672935,6.781687696436121,7.323646408660297,7.764677243417936,8.121839494731397,8.410679526773073,8.645267447828417,first
+277,7.23,99,4.583080911242614e+16,3.94,1.3711807233098425,178.8,Branched,None,1,0.009812625233337932,0.007494120459576355,8.48,7.487464044794492,6.707655217336339,6.081709180524759,5.568795445739942,5.139243021756182,4.775646218612338,4.465609229835808,4.198533764886282,3.965612255524973,3.7603584999170683,4.65,4.65,4.65,4.65,4.65,4.65,4.65,4.65,4.65,4.65,4.65,0.09,0.5862679776027545,0.9761723913318305,1.2891454097376207,1.5456022771300293,1.7603784891219094,1.9421768906938313,2.097195385082096,2.2307331175568597,2.347193872237514,2.4498207500414666,second
+279,10.88,95,3.214566804515168e+17,2.29,0.8285518175661483,173.3,Ring,Base,0,0.5254017859059689,0.28709713281850274,6.83,4.862536176121227,4.670495628966704,4.644322746086104,4.640615695957057,4.640087574423896,4.640012706058594,4.640001858160514,4.6400004228714185,4.64000008692677,4.640000079336655,2.19,0.22253617612122728,0.030495628966704137,0.004322746086103071,0.0006156959570559105,8.757442389559592e-05,1.2706058593486769e-05,1.858160512995448e-06,4.228714171281464e-07,8.692676966642946e-08,7.933665393771315e-08,1.71,3.6774638238787722,3.8695043710332953,3.8956772539138966,3.8993843040429437,3.8999124255761037,3.8999872939414058,3.8999981418394865,3.8999995771285825,3.8999999130732297,3.8999999206633453,second
+277,7.81,100,4.104963252712323e+17,1.51,0.412109650826833,108.8,Unknown,Base,0,0.05693213144290577,0.04657023186902665,4.75,4.287873058043761,3.9419575746305893,3.6737154965474415,3.4623994515439387,3.2928492315630207,3.152564415374329,3.0351756921784174,2.936712012969818,2.8533750153647413,2.782066636125855,2.49,2.0278730580437614,1.6819575746305893,1.4137154965474414,1.202399451543939,1.0328492315630204,0.892564415374329,0.7751756921784172,0.6767120129698181,0.593375015364741,0.522066636125855,3.72,4.1821269419562395,4.528042425369411,4.79628450345256,5.007600548456062,5.17715076843698,5.317435584625671,5.434824307821583,5.5332879870301825,5.616624984635259,5.687933363874145,second
+278,2.42,98,3.58504551468152e+17,3.85,1.3480731482996928,23.9,Ring,Enzyme,1,0.13809550797399728,0.12170410789754205,3.1,2.436219444933426,2.32244542008854,2.297094307955704,2.290890271274991,2.289389358431748,2.2894057093601874,2.2887522254647,2.2892173985075486,2.2893317333136016,2.2891397061421936,1.17,0.8381097224667129,0.7812227100442699,0.768547153977852,0.7654451356374956,0.764694679215874,0.7647028546800937,0.7643761127323501,0.7646086992537742,0.7646658666568008,0.7645698530710969,4.14,4.471890277533287,4.52877728995573,4.541452846022148,4.544554864362504,4.545305320784125,4.545297145319906,4.54562388726765,4.545391300746226,4.545334133343199,4.545430146928903,third
+271,9.03,91,4.571527777514769e+17,0.63,-0.4620354595965587,198.6,Unknown,Base,0,1.316384315885633,0.8607486459353906,3.63,1.2677049673159229,0.44289744685532184,0.15466497783168257,0.054001647369285054,0.018853369788233928,0.006582137322069654,0.002298066124590895,0.000802377000377571,0.0002801516026403316,9.815806673460207e-05,1.41,1.41,1.41,1.41,1.41,1.41,1.41,1.41,1.41,1.41,1.41,0.69,0.69,0.69,0.69,0.69,0.69,0.69,0.69,0.69,0.69,0.69,first
+272,4.98,94,4.726316296709024e+17,3.03,1.1085626195212777,76.1,Unknown,Base,1,0.4189804386344138,0.2192409609974719,1.55,1.784865085980451,1.9252129872822281,2.010315397175913,2.060376379433637,2.0908979334264117,2.1094644180789617,2.119858346167312,2.12653945472774,2.1306082956571535,2.1329735032396933,4.13,4.13,4.13,4.13,4.13,4.13,4.13,4.13,4.13,4.13,4.13,4.67,4.4351349140195495,4.294787012717772,4.209684602824088,4.1596236205663635,4.129102066573589,4.110535581921039,4.100141653832688,4.0934605452722606,4.089391704342847,4.0870264967603065,first
+277,9.51,99,4.664373267796944e+17,4.95,1.599387576580599,164.2,Branched,Base,0,0.09986676585398012,0.08854667127654287,4.36,4.280106587316816,4.200213174633632,4.120319761950448,4.040426349267263,3.9605329365840793,3.880639523900895,3.8007461112177108,3.720852698534527,3.6409592858513427,3.5610658731681584,4.66,4.66,4.66,4.66,4.66,4.66,4.66,4.66,4.66,4.66,4.66,4.87,4.949893412683185,5.029786825366369,5.1096802380495525,5.189573650732737,5.269467063415921,5.349360476099106,5.42925388878229,5.5091473014654735,5.589040714148657,5.668934126831842,zero
+270,9.17,95,3.026894142220727e+17,1.41,0.34358970439007686,31.8,Unknown,None,1,0.12632189292534207,0.09755745703034246,1.56,1.1022366551584126,1.0192500540019607,1.0005290958126072,0.9960010046287056,0.9951758487678686,0.9947896707503658,0.9947756327299558,0.9943729875941987,0.9952892896511438,0.9949328272239505,3.43,3.2011183275792066,3.1596250270009802,3.1502645479063034,3.1480005023143525,3.147587924383934,3.1473948353751826,3.1473878163649776,3.1471864937970992,3.1476446448255717,3.147466413611975,3.75,3.9788816724207936,4.02037497299902,4.029735452093697,4.031999497685648,4.032412075616067,4.032605164624818,4.032612183635023,4.032813506202902,4.032355355174429,4.032533586388027,third
+280,4.68,99,2.4637012528978605e+17,0.67,-0.40047756659712525,149.4,Branched,None,1,0.08360740063900993,0.07219944564499756,4.75,1.862758970400114,1.696655931647417,1.6699339811728908,1.6652583935729641,1.6648256965641728,1.6641173435415146,1.664475582940411,1.6626630523681114,1.6666233315094092,1.6649280853395674,2.43,2.43,2.43,2.43,2.43,2.43,2.43,2.43,2.43,2.43,2.43,4.31,5.272413676533295,5.327781356117528,5.336688672942371,5.338247202142346,5.338391434478611,5.33862755215283,5.338508139019865,5.339112315877298,5.337792222830199,5.338357304886813,third
+272,4.57,91,3.1742200629011354e+17,3.37,1.2149127443642704,25.3,Ring,None,0,1.0603424728835966,0.6668445912613825,3.39,1.4506287129825715,0.6218881112713548,0.2665025223617424,0.11425115081270659,0.048987086732168686,0.021001832702812414,0.008999400687673447,0.00385405644334302,0.0016505258230196476,0.0007081325777125239,1.16,1.16,1.16,1.16,1.16,1.16,1.16,1.16,1.16,1.16,1.16,3.54,3.54,3.54,3.54,3.54,3.54,3.54,3.54,3.54,3.54,3.54,first
+270,11.98,91,4.834808852415341e+17,1.51,0.412109650826833,132.5,Unknown,Acid,1,1.1987680745519689,0.8740059201667095,1.2,1.2619990380338024,1.2610615250214887,1.2639208262434767,1.2604893092513791,1.26172909899003,1.262737592053589,1.262353916161026,1.2640794878483121,1.2611017290640636,1.2621205341149673,1.8,1.8,1.8,1.8,1.8,1.8,1.8,1.8,1.8,1.8,1.8,2.78,2.7593336539887323,2.7596461583261704,2.7586930579188413,2.7598368969162075,2.7594236336699907,2.759087469315471,2.7592153612796584,2.7586401707172294,2.759632756978646,2.759293155295011,third
+277,5.95,100,3.955341397188026e+17,4.61,1.5282278570085572,131.1,Ring,None,0,0.05485701149151222,0.02935205754239579,2.86,2.286148276117013,1.9039003999024569,1.6315618820017215,1.4285564189050417,1.2690896304678425,1.1419801264997673,1.038731511650104,0.9524095079207533,0.8789350502027415,0.8159870646392708,2.74,2.74,2.74,2.74,2.74,2.74,2.74,2.74,2.74,2.74,2.74,0.47,0.7569258619414934,0.9480498000487716,1.0842190589991392,1.1857217905474793,1.2654551847660787,1.3290099367501162,1.380634244174948,1.4237952460396233,1.460532474898629,1.4920064676803644,second
+276,8.17,96,4.970725407670004e+17,2.88,1.0577902941478545,150.4,Linear,None,1,0.3366612561222015,0.2100296375596237,7.93,4.571283988596427,4.108427998731737,4.010417956155416,3.9881060062217766,3.9829909991466126,3.9819804911100727,3.9814319462702232,3.9816056024132673,3.9813919344057807,3.981558770139422,4.76,1.4012839885964277,0.9384279987317372,0.8404179561554158,0.8181060062217764,0.8129909991466124,0.8119804911100723,0.8114319462702233,0.8116056024132668,0.8113919344057805,0.8115587701394217,1.23,4.588716011403573,5.051572001268263,5.1495820438445845,5.171893993778223,5.1770090008533876,5.1780195088899275,5.1785680537297765,5.178394397586733,5.1786080655942195,5.178441229860579,second
+272,3.26,94,4.660657156144301e+17,3.57,1.2725655957915476,117.5,Unknown,Acid,1,0.4131598600300318,0.3654707290379211,5.07,5.2896175009547655,5.313403024867421,5.315982096693524,5.316188728945004,5.316131622693801,5.317212951870766,5.315068186129324,5.3162887783229795,5.316268048756391,5.31611541139524,0.38,0.5996175009547655,0.6234030248674212,0.6259820966935239,0.626188728945004,0.6261316226938003,0.627212951870765,0.6250681861293235,0.6262887783229788,0.6262680487563899,0.6261154113952387,4.01,3.790382499045234,3.7665969751325785,3.764017903306476,3.763811271054996,3.7638683773061996,3.762787048129235,3.7649318138706764,3.763711221677021,3.76373195124361,3.763884588604761,second
+273,4.02,90,2.4777540069746096e+17,2.95,1.0818051703517284,106.3,Linear,None,1,1.4901337528003533,1.001228607896114,6.23,4.115624518584266,3.8275734315725485,3.7877331348942476,3.7825574588780917,3.7825146091691684,3.7804768153329094,3.783187034538921,3.7801854752285577,3.7835006166780727,3.7823445684590196,3.17,3.17,3.17,3.17,3.17,3.17,3.17,3.17,3.17,3.17,3.17,3.18,5.294375481415735,5.5824265684274526,5.622266865105754,5.6274425411219084,5.627485390830832,5.629523184667091,5.626812965461079,5.629814524771442,5.626499383321928,5.627655431540981,first
+280,2.02,90,9.18141134000328e+16,3.6,1.2809338454620642,155.8,Linear,None,0,1.487980819373696,0.7793387593883215,1.96,0.5970008874224951,0.18163346517943327,0.05526540948763261,0.016831939944070184,0.005130480673854058,0.0015622558517914677,0.0004753152800325011,0.00014460406407940845,4.401391820655269e-05,1.3627240566566013e-05,3.84,3.84,3.84,3.84,3.84,3.84,3.84,3.84,3.84,3.84,3.84,1.46,1.46,1.46,1.46,1.46,1.46,1.46,1.46,1.46,1.46,1.46,first
+279,5.36,95,6.149449954380552e+16,1.87,0.6259384308664954,144.0,Unknown,Acid,0,0.10050909453282372,0.08985345218722164,3.7,3.619592724373741,3.539185448747482,3.458778173121223,3.378370897494964,3.297963621868705,3.217556346242446,3.137149070616187,3.056741794989928,2.976334519363669,2.8959272437374097,3.7,3.7,3.7,3.7,3.7,3.7,3.7,3.7,3.7,3.7,3.7,3.4,3.480407275626259,3.560814551252518,3.6412218268787773,3.721629102505036,3.802036378131295,3.882443653757554,3.962850929383813,4.043258205010072,4.1236654806363315,4.20407275626259,zero
+271,2.94,98,1.3730907025884896e+17,3.0,1.0986122886681098,57.6,Linear,Acid,0,0.017690397380754286,0.009057658833618417,5.79,3.8568081650496135,3.0419565278761405,2.56789491820709,2.249523948491597,2.0160563426445726,1.8376612699071355,1.693653568159662,1.5749914282760296,1.4754426592071872,1.3901836030961143,3.65,2.683404082524807,2.27597826393807,2.038947459103545,1.8797619742457985,1.7630281713222862,1.6738306349535677,1.6018267840798308,1.5424957141380147,1.4927213296035935,1.450091801548057,1.26,2.226595917475193,2.63402173606193,2.871052540896455,3.030238025754201,3.1469718286777137,3.236169365046432,3.308173215920169,3.3675042858619855,3.4172786703964064,3.459908198451943,third
+273,5.4,95,3.422236332973112e+17,4.8,1.5686159179138452,28.1,Ring,None,1,0.2273862093209929,0.18097475175313948,7.32,5.68993545520162,5.688263555622276,5.688276058628004,5.68814966758185,5.688139454364835,5.6881255883200055,5.688031552386945,5.688127754616635,5.688082701920017,5.688343362993296,0.91,0.09496772760080922,0.09413177781113782,0.0941380293140021,0.09407483379092518,0.09406972718241746,0.09406279416000264,0.09401577619347185,0.094063877308317,0.0940413509600083,0.09417168149664769,3.01,3.82503227239919,3.825868222188862,3.825861970685998,3.8259251662090747,3.8259302728175824,3.825937205839997,3.8259842238065276,3.8259361226916826,3.8259586490399915,3.825828318503352,third
+274,7.54,97,7.940065515414877e+16,3.61,1.2837077723447896,118.1,Linear,Base,1,0.02554648206422382,0.017239207008095628,1.49,1.4755535948693306,1.4629246831212843,1.4518741989565684,1.4421931005361937,1.4336971549635804,1.4262460486103037,1.4197148987427952,1.4139883286402284,1.4089604675945189,1.404534950910324,0.15,0.15,0.15,0.15,0.15,0.15,0.15,0.15,0.15,0.15,0.15,2.73,2.737223202565335,2.743537658439358,2.7490629005217158,2.753903449731903,2.7581514225182096,2.761876975694848,2.7651425506286023,2.768005835679886,2.7705197662027405,2.7727325245448378,second
+279,12.26,92,3.9027846982168205e+17,3.59,1.2781522025001875,123.5,Branched,Enzyme,1,2.3250203798165807,1.199855419582483,4.45,1.7271821380681962,1.7247962508884953,1.7244034159900112,1.7244614153686864,1.7248041495343605,1.7244470422301519,1.7247993205129843,1.725178266017877,1.7249202579049914,1.7255379246238582,4.12,1.3971821380681961,1.3947962508884952,1.3944034159900112,1.3944614153686863,1.3948041495343604,1.3944470422301518,1.3947993205129843,1.3951782660178769,1.3949202579049913,1.3955379246238582,1.94,4.662817861931803,4.6652037491115035,4.665596584009987,4.665538584631313,4.665195850465638,4.6655529577698465,4.665200679487014,4.664821733982121,4.665079742095007,4.664462075376141,second
+278,5.55,99,4.1446842125767795e+17,3.82,1.3402504226184837,37.4,Ring,None,1,0.1035798196054779,0.08147171221023358,1.98,1.7273238307546526,1.5762807586715903,1.48181207364369,1.423387915346399,1.3858232443665046,1.361631948658489,1.3466914422677954,1.3367523893645576,1.3302774873770433,1.3261533043208154,3.83,3.577323830754653,3.4262807586715907,3.33181207364369,3.273387915346399,3.2358232443665047,3.211631948658489,3.1966914422677957,3.186752389364558,3.180277487377044,3.176153304320816,4.65,4.902676169245348,5.05371924132841,5.14818792635631,5.206612084653601,5.244176755633496,5.268368051341511,5.283308557732204,5.293247610635443,5.2997225126229575,5.3038466956791845,second
+279,6.57,90,6.554832170941625e+16,4.03,1.3937663759585917,108.6,Unknown,None,1,0.9248453867930042,0.5665513673382293,2.25,1.451632158061163,1.3720116954316242,1.3616522814082606,1.3603291807304598,1.3602861623557931,1.3599436903138473,1.3602423740030662,1.3599715864428903,1.3603473046528554,1.3603174167019705,1.66,0.8616321580611628,0.7820116954316241,0.7716522814082604,0.7703291807304594,0.770286162355793,0.769943690313847,0.7702423740030658,0.7699715864428899,0.7703473046528551,0.7703174167019701,0.82,1.6183678419388372,1.6979883045683761,1.7083477185917397,1.7096708192695405,1.7097138376442071,1.710056309686153,1.709757625996934,1.71002841355711,1.709652695347145,1.7096825832980298,second
+279,7.85,94,4.882157277149444e+17,4.86,1.5810384379124025,51.4,Linear,Enzyme,0,1.2280287907486376,0.8004085140326946,5.83,0.46940929197329806,0.24481627075258153,0.1655419466852469,0.12499029382884233,0.1003932276627293,0.08392817123242323,0.0721033050430643,0.06313861874210291,0.0562238185293205,0.05067700189844333,2.46,2.46,2.46,2.46,2.46,2.46,2.46,2.46,2.46,2.46,2.46,2.87,5.55029535401335,5.6625918646237094,5.702229026657377,5.722504853085579,5.734803386168635,5.743035914383788,5.748948347478468,5.7534306906289485,5.756888090735339,5.759661499050778,second
+279,5.71,98,4.495678450225178e+17,2.35,0.8544153281560676,131.4,Unknown,Enzyme,1,0.2015956927209875,0.15157263276100788,8.97,8.035070459248427,7.330196200424614,6.797121208439936,6.3969966617912055,6.097383551701205,5.86961558595552,5.696918354902669,5.567858346268785,5.471416431018157,5.3978195123846815,0.08,0.08,0.08,0.08,0.08,0.08,0.08,0.08,0.08,0.08,0.08,3.08,4.014929540751575,4.719803799575387,5.2528787915600645,5.653003338208795,5.952616448298795,6.180384414044481,6.3530816450973315,6.482141653731215,6.578583568981844,6.652180487615319,first
+272,8.68,98,4.6891903384925914e+17,1.12,0.11332868530700327,33.5,Branched,Enzyme,0,0.0708899405278634,0.056158189150293754,9.91,9.363623970017866,8.847371802631507,8.359559882768256,7.898627287434069,7.463119696472276,7.051647021789661,6.662883407356462,6.295567229206375,5.948501095436544,5.620551846207574,1.72,1.72,1.72,1.72,1.72,1.72,1.72,1.72,1.72,1.72,1.72,2.66,3.206376029982135,3.722628197368493,4.2104401172317445,4.671372712565931,5.106880303527723,5.518352978210339,5.907116592643536,6.274432770793625,6.621498904563455,6.949448153792425,first
+278,11.48,100,3.2321376947636486e+17,0.62,-0.4780358009429998,30.8,Unknown,Acid,1,0.05240495868998216,0.04548499007480235,4.67,3.408048689912851,2.730858195813659,2.3213456616910193,2.0532227832984926,1.8722238397630182,1.7432233345940857,1.6507981040260846,1.5840239735389388,1.5339490597805812,1.4965187576530306,0.56,0.56,0.56,0.56,0.56,0.56,0.56,0.56,0.56,0.56,0.56,0.55,1.1809756550435746,1.5195709020931703,1.7243271691544901,1.8583886083507535,1.9488880801184907,2.013388332702957,2.0596009479869575,2.0929880132305305,2.1180254701097097,2.1367406211734847,second
+273,6.11,92,3.441139966691955e+17,2.0,0.6931471805599453,153.3,Branched,Enzyme,1,0.8574014747741364,0.665282619663655,8.5,1.7191673008194333,1.7049744505188884,1.7062242598640187,1.704776616788304,1.706765005401759,1.7034013340983236,1.7072963204515947,1.7049306151410148,1.70604509027228,1.7057170814410483,0.75,0.75,0.75,0.75,0.75,0.75,0.75,0.75,0.75,0.75,0.75,0.35,3.740416349590283,3.747512774740556,3.746887870067991,3.747611691605848,3.746617497299121,3.7482993329508387,3.746351839774203,3.747534692429493,3.7469774548638606,3.7471414592794763,second
+272,10.01,94,1.9579266825193894e+17,3.02,1.1052568313867783,111.9,Unknown,Base,0,0.17356709300797357,0.13085526273720902,4.99,2.1827589573781587,1.7417936559319551,1.5406820437404831,1.4233490810055862,1.34558067963786,1.2911946588627998,1.250798094833307,1.2201345167142255,1.19641821437512,1.1775459742195387,1.95,0.5463794786890793,0.32589682796597735,0.22534102187024144,0.16667454050279296,0.12779033981892982,0.10059732943139976,0.08039904741665335,0.06506725835711256,0.05320910718755981,0.04377298710976917,4.2,5.603620521310921,5.824103172034023,5.9246589781297585,5.983325459497207,6.02220966018107,6.0494026705686,6.069600952583347,6.084932741642888,6.09679089281244,6.106227012890231,third
+278,10.55,93,1.5935146392715098e+17,4.8,1.5686159179138452,28.3,Linear,None,0,0.534006827067555,0.46622888033857984,9.14,5.9616475358086625,3.8890035548369033,2.534558416262499,1.6571015319252007,1.079978728842227,0.7054922158100209,0.4601578560790782,0.30029431126618067,0.19614013431088032,0.1279559257882956,2.06,2.06,2.06,2.06,2.06,2.06,2.06,2.06,2.06,2.06,2.06,2.77,2.77,2.77,2.77,2.77,2.77,2.77,2.77,2.77,2.77,2.77,first
+278,11.22,93,1.0617610626084944e+17,4.95,1.599387576580599,175.9,Ring,None,0,0.35580950571413733,0.3195696661774406,1.76,1.3240088405956671,0.9958147831153934,0.7488440301582013,0.5637539267582747,0.42420386120456216,0.3189114008496785,0.24005882778018034,0.1807727701107598,0.13598445163104017,0.10230741495221674,3.58,3.58,3.58,3.58,3.58,3.58,3.58,3.58,3.58,3.58,3.58,0.45,0.8859911594043328,1.2141852168846066,1.4611559698417986,1.6462460732417252,1.785796138795438,1.8910885991503217,1.9699411722198197,2.02922722988924,2.07401554836896,2.1076925850477837,first
+270,3.86,93,1.1449269936838189e+17,3.53,1.2612978709452054,188.8,Ring,Enzyme,0,0.11646526538439966,0.05966357613217593,6.54,2.95711318098413,1.9089376845160464,1.408753968850182,1.1175347573515897,0.9248340335528149,0.7901231318709793,0.6884906459169455,0.610394480633167,0.548728185752077,0.497968639771177,0.16,0.16,0.16,0.16,0.16,0.16,0.16,0.16,0.16,0.16,0.16,3.46,5.251443409507935,5.775531157741978,6.02562301557491,6.171232621324206,6.267582983223594,6.334938434064512,6.385754677041528,6.424802759683417,6.455635907123963,6.481015680114413,second
+271,8.92,95,2.856994108422276e+16,1.29,0.25464221837358075,185.5,Linear,Base,0,0.0139383651803781,0.008555559771667784,1.6,1.478379666065399,1.3808932203505508,1.3002055899313893,1.2317931650865694,1.1735844177476868,1.123706333016256,1.0803487834069707,1.0417645288477038,1.0063120997491113,0.9738624414404207,3.49,3.49,3.49,3.49,3.49,3.49,3.49,3.49,3.49,3.49,3.49,1.56,1.6005401113115338,1.6330355932164833,1.6599314700228704,1.6827356116378105,1.7021385274174379,1.7187645556612483,1.7332170721976767,1.746078490384099,1.7578959667502965,1.76871251951986,third
+274,8.05,92,3.63345270046801e+17,1.33,0.28517894223366247,46.4,Unknown,Acid,1,1.0496579899756693,0.5886837222287716,5.13,1.6742945262904965,1.585750707859915,1.5812061491316303,1.580804972270052,1.5816032152141077,1.5814913553911125,1.5804830951915723,1.5798222707445833,1.5804102862838814,1.581334641731859,4.95,1.4942945262904967,1.4057507078599152,1.4012061491316306,1.4008049722700522,1.401603215214108,1.4014913553911128,1.4004830951915725,1.3998222707445835,1.4004102862838816,1.4013346417318593,0.4,3.855705473709503,3.9442492921400847,3.9487938508683698,3.949195027729948,3.9483967847858925,3.9485086446088875,3.9495169048084278,3.950177729255417,3.9495897137161187,3.948665358268141,second
+271,8.16,91,1.612509335157403e+17,3.74,1.3190856114264407,37.3,Ring,Base,0,0.4643266105613239,0.26035515420376454,1.3,0.7568866660572485,0.5042790101776577,0.36023923186427315,0.26888454388958094,0.20612032480419282,0.16125625090997875,0.12805756444277322,0.1026402021940423,0.08301775668778323,0.06759738875975953,1.78,1.2368866660572486,0.9842790101776577,0.8402392318642731,0.7488845438895809,0.6861203248041927,0.6412562509099786,0.6080575644427731,0.5826402021940422,0.5630177566877831,0.5475973887597594,2.69,3.2331133339427516,3.485720989822342,3.629760768135727,3.721115456110419,3.7838796751958075,3.8287437490900214,3.8619424355572267,3.8873597978059578,3.9069822433122168,3.9224026112402406,second
+273,6.95,100,2.419914832450818e+17,1.95,0.6678293725756554,94.3,Unknown,Enzyme,1,0.017764020457076292,0.015230323143449843,1.77,1.683264246381894,1.6039751226200483,1.5313031852181704,1.4645657514696044,1.403200223143449,1.3466894156420788,1.2945613859918579,1.2463894328431413,1.2017920964702733,1.1604331587715888,3.86,3.7732642463818937,3.693975122620048,3.6213031852181703,3.554565751469604,3.493200223143449,3.4366894156420784,3.3845613859918577,3.336389432843141,3.291792096470273,3.2504331587715884,0.52,0.606735753618106,0.6860248773799518,0.7586968147818296,0.8254342485303956,0.886799776856551,0.9433105843579213,0.995438614008142,1.0436105671568587,1.0882079035297267,1.1295668412284112,second
+279,1.24,98,4.005860007995832e+17,0.77,-0.2613647641344075,29.5,Linear,Acid,1,0.17963120187449602,0.13105318899026125,2.36,2.617185355321516,2.6665642197452706,2.674795754399809,2.6761401105701013,2.6761359717367994,2.6765308232234695,2.6760786558450995,2.676920779042426,2.675439910347418,2.6761715039342158,0.28,0.4085926776607581,0.43328210987263555,0.4373978771999046,0.43807005528505083,0.4380679858684,0.438265411611735,0.43803932792254985,0.43846038952121325,0.4377199551737091,0.4380857519671081,4.46,4.331407322339242,4.306717890127365,4.302602122800096,4.301929944714949,4.3019320141316,4.301734588388265,4.301960672077451,4.301539610478787,4.302280044826291,4.301914248032892,third
+275,1.38,100,8.80609161061818e+16,3.8,1.33500106673234,120.5,Branched,Acid,1,0.008905998717054256,0.005715345203589791,3.38,3.3277485169975636,3.2779533661328144,3.230465314443193,3.1851458295092168,3.14186883450761,3.100517894732392,3.060983855057035,3.0231648399344624,2.9869662533970507,2.952300779056627,2.84,2.7877485169975635,2.7379533661328144,2.690465314443193,2.6451458295092167,2.6018688345076098,2.560517894732392,2.520983855057035,2.4831648399344624,2.4469662533970507,2.412300779056627,3.25,3.3022514830024363,3.3520466338671855,3.399534685556807,3.444854170490783,3.48813116549239,3.5294821052676077,3.5690161449429647,3.6068351600655375,3.643033746602949,3.677699220943373,second
+274,8.11,91,3.34262631089068e+17,2.4,0.8754687373538999,108.9,Linear,Base,0,1.4978226367431906,0.8276122507599675,8.07,2.436102815140593,0.7350395000984747,0.22206583292956422,0.06715565611984907,0.020288044705073983,0.006123349128478157,0.0018490822972126219,0.0005589683837193461,0.0001691275839909863,5.117749038376337e-05,4.21,4.21,4.21,4.21,4.21,4.21,4.21,4.21,4.21,4.21,4.21,4.72,10.353897184859406,12.054960499901524,12.567934167070435,12.722844343880151,12.769711955294927,12.783876650871521,12.788150917702788,12.789441031616281,12.78983087241601,12.789948822509617,first
+274,9.53,92,3.447162785910874e+17,2.24,0.8064758658669485,58.0,Linear,Base,1,0.9958412175042414,0.8128332405000251,2.55,1.620175312113834,1.6171623356507074,1.618425824513197,1.6165572729355508,1.6178542459876597,1.6193321688804527,1.618379496557249,1.616199745318572,1.6177774802029545,1.6190531045621919,1.77,1.77,1.77,1.77,1.77,1.77,1.77,1.77,1.77,1.77,1.77,2.74,3.204912343943083,3.2064188321746463,3.2057870877434014,3.2067213635322247,3.2060728770061697,3.2053339155597733,3.205810251721375,3.2069001273407136,3.206111259898522,3.2054734477189037,second
+274,10.81,93,3.1104256818765e+17,1.44,0.36464311358790924,89.3,Branched,Base,1,0.5793004641961134,0.4491456603205221,6.02,5.124912508843573,4.736475503689128,4.5644655848533455,4.487306387872963,4.4552339665929255,4.439505056164865,4.434210762168613,4.430362618534074,4.429288648394051,4.429513205386598,2.4,2.4,2.4,2.4,2.4,2.4,2.4,2.4,2.4,2.4,2.4,4.12,5.015087491156427,5.4035244963108715,5.575534415146654,5.652693612127036,5.684766033407074,5.700494943835134,5.705789237831387,5.709637381465925,5.710711351605949,5.710486794613401,first
+280,8.96,94,4.4541973350288186e+17,4.2,1.4350845252893227,67.7,Linear,None,1,1.2948553278540345,1.1436148746193988,1.24,0.9867635899670206,0.9858917908127072,0.9859565775280222,0.9856427826538937,0.9869985267654723,0.9864243975009415,0.98761807825604,0.9877104177900714,0.9871014306938838,0.9866574138279112,4.51,4.25676358996702,4.255891790812707,4.255956577528021,4.255642782653893,4.2569985267654715,4.256424397500941,4.257618078256039,4.257710417790071,4.257101430693883,4.256657413827911,4.5,4.753236410032979,4.754108209187293,4.7540434224719785,4.754357217346107,4.753001473234528,4.753575602499059,4.752381921743961,4.7522895822099285,4.752898569306117,4.753342586172089,second
+271,9.32,91,1.090647853381885e+17,3.18,1.1568811967920856,114.8,Unknown,Base,1,0.3140551251614064,0.23664644656597303,6.58,2.219780698329052,1.9709342095396933,1.9427040409741354,1.9394020079135146,1.9392499277200923,1.9393837077036327,1.937901423216012,1.9410305608291771,1.937982153287219,1.9404142171489622,4.75,4.75,4.75,4.75,4.75,4.75,4.75,4.75,4.75,4.75,4.75,2.67,4.850109650835473,4.974532895230152,4.988647979512932,4.990298996043243,4.9903750361399535,4.990308146148183,4.991049288391993,4.989484719585411,4.99100892335639,4.989792891425518,second
+280,9.85,100,4.7655338272923104e+17,3.99,1.3837912309017721,33.0,Ring,Acid,0,0.10524687515230588,0.07912175373132227,3.29,1.2361870567355921,0.8075709817388307,0.6083319734701879,0.4915699256841386,0.4130995433843872,0.3575086969174891,0.31520134425619556,0.2820271953643505,0.2555375888397692,0.23370087295168013,3.71,2.683093528367796,2.4687854908694153,2.369165986735094,2.310784962842069,2.2715497716921935,2.2437543484587446,2.2226006721280975,2.2060135976821753,2.1927687944198846,2.1818504364758398,4.43,5.4569064716322035,5.671214509130584,5.770834013264905,5.8292150371579305,5.868450228307806,5.896245651541255,5.917399327871902,5.933986402317824,5.947231205580115,5.9581495635241595,third
+279,13.0,91,3.07193905712484e+17,1.24,0.2151113796169455,48.2,Branched,None,0,2.816387835930348,1.5644760518023058,4.16,1.906889731255721,-0.3462205374885563,-2.599330806232835,-4.852441074977113,-7.105551343721395,-9.358661612465674,-11.61177188120995,-13.86488214995423,-16.117992418698506,-18.37110268744279,2.74,2.74,2.74,2.74,2.74,2.74,2.74,2.74,2.74,2.74,2.74,1.02,3.2731102687442792,5.526220537488556,7.779330806232835,10.032441074977113,12.285551343721394,14.538661612465674,16.79177188120995,19.04488214995423,21.297992418698506,23.55110268744279,zero
+278,6.27,96,4.687170438275622e+16,0.84,-0.1743533871447778,124.1,Ring,Enzyme,1,0.042894140852138926,0.03845396563914772,5.39,5.23326807418792,5.086411251012829,4.948795634305769,4.8198423447845995,4.699019839113635,4.5858221299705875,4.479768786046565,4.380404932046074,4.287301248687018,4.2000539727007,4.52,4.52,4.52,4.52,4.52,4.52,4.52,4.52,4.52,4.52,4.52,0.75,0.9067319258120798,1.05358874898717,1.1912043656942304,1.3201576552153997,1.4409801608863644,1.5541778700294127,1.6602312139534354,1.759595067953926,1.8526987513129816,1.9399460272992997,first
+272,5.6,90,3.575784395894992e+17,3.55,1.2669476034873244,163.8,Unknown,None,0,1.8587736354880213,1.2469550518015557,7.12,2.9330425634304023,2.9103035084822513,2.910004272813785,2.9100001828504065,2.910000520622395,2.9099996396614243,2.9099987454198306,2.9100006927795725,2.90999998202433,2.910000149002646,4.21,0.023042563430401918,0.0003035084822509241,4.272813784744692e-06,1.8285040605250944e-07,5.206223945362294e-07,-3.603385760128259e-07,-1.2545801696931224e-06,6.927795720297844e-07,-1.7975670933143398e-08,1.4900264492825444e-07,3.6,7.786957436569598,7.80969649151775,7.809995727186216,7.809999817149595,7.809999479377606,7.810000360338576,7.81000125458017,7.809999307220428,7.810000017975672,7.8099998509973565,second
+270,1.93,90,2.4935125198595702e+17,0.91,-0.09431067947124129,147.6,Branched,None,1,0.9652415976108133,0.6581027588102373,3.44,2.7851455113268053,2.6057333721590217,2.5565842339331666,2.542668106020139,2.539264151065293,2.5382600025930815,2.5378573871018153,2.537471895061985,2.538550592233681,2.5380261755195477,3.0,3.0,3.0,3.0,3.0,3.0,3.0,3.0,3.0,3.0,3.0,2.82,3.4748544886731945,3.654266627840978,3.703415766066833,3.717331893979861,3.720735848934707,3.7217399974069183,3.7221426128981845,3.722528104938015,3.7214494077663187,3.721973824480452,first
+277,10.87,94,1.691286320799219e+17,3.83,1.3428648031925547,24.9,Linear,Base,0,0.31749903948016067,0.2748594372729626,1.47,1.1402558549531583,0.8844962689337702,0.6855597934305496,0.5315339675303492,0.41282245579019233,0.3206569156060164,0.2485677986582422,0.19275797229111882,0.14969106896511708,0.11620813350823317,1.24,1.24,1.24,1.24,1.24,1.24,1.24,1.24,1.24,1.24,1.24,1.98,1.98,1.98,1.98,1.98,1.98,1.98,1.98,1.98,1.98,1.98,first
+276,13.2,95,3.064394711213033e+17,2.96,1.085189268335969,192.7,Branched,Enzyme,0,0.32090822509495187,0.16341367339141427,1.48,0.9927813970414913,0.7324301810136264,0.5679200309346955,0.45550163905352936,0.37474466333342105,0.3139799966314148,0.26635853318203534,0.22862306267847188,0.19808645288534985,0.17270463144569265,1.83,1.3427813970414912,1.0824301810136265,0.9179200309346957,0.8055016390535296,0.7247446633334212,0.6639799966314149,0.6163585331820356,0.5786230626784721,0.5480864528853501,0.5227046314456929,3.14,3.627218602958509,3.8875698189863734,4.052079969065304,4.16449836094647,4.245255336666578,4.306020003368585,4.3536414668179635,4.391376937321527,4.42191354711465,4.447295368554307,second
+272,8.04,91,3.691180942965286e+17,3.93,1.3686394258811698,150.2,Branched,None,0,1.2330323201811735,0.6935513829364659,2.76,1.0297960952515923,0.38456333843850327,0.14356099668690364,0.05359345581175026,0.02000718702249312,0.007468966824326842,0.0027882879347255964,0.0010409241623157046,0.0003885709338921408,0.0001451061818027234,3.4,3.4,3.4,3.4,3.4,3.4,3.4,3.4,3.4,3.4,3.4,2.66,2.66,2.66,2.66,2.66,2.66,2.66,2.66,2.66,2.66,2.66,first
+279,9.14,94,4.616527593040973e+17,2.34,0.85015092936961,46.7,Branched,Acid,0,1.1612138806085184,0.8275301633791029,7.53,5.030002080582722,5.0300003913359985,5.029999473543477,5.029999884472659,5.02999930194847,5.029998697331952,5.0299998414100076,5.03000083020812,5.030001826012722,5.03000150955472,1.25,1.0402913612343487e-06,1.956679992260453e-07,-2.632282609773175e-07,-5.776367120562459e-08,-3.4902576559349517e-07,-6.513340241794306e-07,-7.929499672225005e-08,4.151040593489088e-07,9.130063603519538e-07,7.547773586283142e-07,3.43,4.679998959708638,4.679999804332,4.680000263228261,4.680000057763672,4.680000349025766,4.680000651334025,4.680000079294997,4.679999584895943,4.67999908699364,4.6799992452226435,third
+279,11.64,100,4.085950226211338e+17,2.81,1.0331844833456545,63.1,Ring,Base,0,0.07736128803134819,0.04991459920935437,1.46,1.372381268696802,1.2900208340651385,1.21260215896327,1.1398248390055499,1.0714153049345672,1.007114839207493,0.9466774651817853,0.8898699471151887,0.8364717901657336,0.786275240391737,0.57,0.57,0.57,0.57,0.57,0.57,0.57,0.57,0.57,0.57,0.57,1.51,1.51,1.51,1.51,1.51,1.51,1.51,1.51,1.51,1.51,1.51,first
+274,4.16,93,2.3279141294812448e+17,2.67,0.9820784724121582,42.2,Linear,None,1,0.43356179306094134,0.25660824582945085,2.16,1.8899477168155718,1.735284212895978,1.6453859865644749,1.594591653602269,1.5644967781714612,1.547667091144266,1.5379408664922212,1.5319339657291786,1.528935582509174,1.527214400668182,1.27,1.27,1.27,1.27,1.27,1.27,1.27,1.27,1.27,1.27,1.27,1.94,2.210052283184428,2.364715787104022,2.454614013435525,2.505408346397731,2.535503221828539,2.552332908855734,2.5620591335077787,2.5680660342708217,2.571064417490826,2.572785599331818,first
+273,8.1,96,1.491274649640541e+17,4.26,1.449269160281279,41.2,Unknown,Enzyme,1,0.06377774666690902,0.04844567054034234,3.41,3.164145611722099,2.9871406102572067,2.8566279018272667,2.7598399892778676,2.6881835513536685,2.6336215289275624,2.5912385780478364,2.558971027759289,2.5345077891918546,2.515659924566448,2.72,2.474145611722099,2.2971406102572063,2.1666279018272663,2.069839989277867,1.9981835513536679,1.943621528927562,1.901238578047836,1.8689710277592888,1.8445077891918544,1.8256599245664475,4.72,4.965854388277901,5.142859389742793,5.273372098172733,5.370160010722133,5.441816448646332,5.496378471072439,5.538761421952165,5.571028972240711,5.595492210808146,5.614340075433553,second
+271,1.38,96,4.799035451272647e+17,4.76,1.5602476682433286,119.6,Branched,None,1,0.15021100141860402,0.12730209460218392,4.37,4.171219017189626,4.012035580513114,3.8842195423474686,3.7811886200570948,3.699131565893551,3.6343631658395896,3.5831476555596247,3.5417001018352146,3.5078380691073576,3.4807209356308197,1.7,1.7,1.7,1.7,1.7,1.7,1.7,1.7,1.7,1.7,1.7,2.98,3.1787809828103737,3.337964419486886,3.4657804576525315,3.5688113799429053,3.650868434106449,3.7156368341604105,3.7668523444403754,3.8082998981647855,3.8421619308926425,3.8692790643691803,first
+277,12.78,98,4.9381901777335866e+17,2.64,0.9707789171582248,166.3,Unknown,Base,1,0.1632206178828896,0.1435179272413424,8.47,7.757290088310105,7.543942612398431,7.47533409661123,7.452747291414378,7.445243285701916,7.442748174842472,7.441958828358627,7.441654868102488,7.441588975857671,7.441546221852767,1.15,0.43729008831010596,0.22394261239843186,0.1553340966112312,0.13274729141437963,0.12524328570191726,0.12274817484247368,0.1219588283586281,0.12165486810248972,0.12158897585767331,0.12154622185276835,0.0,0.712709911689894,0.9260573876015681,0.9946659033887688,1.0172527085856204,1.0247567142980827,1.0272518251575262,1.0280411716413718,1.02834513189751,1.0284110241423265,1.0284537781472316,second
+271,5.92,90,4.1611290957363085e+17,1.95,0.6678293725756554,126.7,Branched,Base,1,1.8676144974191147,1.345085630442027,4.37,1.3144363125687744,1.3144160726250553,1.3132624952037606,1.3149084833852551,1.3146028850314724,1.3134324542166083,1.3150560054643678,1.3151600964195962,1.313047072806872,1.3147823425656804,1.15,1.15,1.15,1.15,1.15,1.15,1.15,1.15,1.15,1.15,1.15,0.87,2.397781843715612,2.397791963687472,2.3983687523981194,2.3975457583073725,2.3976985574842637,2.3982837728916957,2.397471997267816,2.3974199517902015,2.398476463596564,2.3976088287171593,second
+275,12.08,94,1.7721592594155907e+17,2.15,0.7654678421395714,191.4,Ring,Acid,0,0.24723400922413682,0.200797324167078,8.26,0.914202863187275,0.6485752428558361,0.529861105770921,0.45939291506322566,0.4107467375143141,0.3753085858642327,0.3474415292488976,0.32493626348582333,0.30638360884636634,0.2906718971612805,2.26,2.26,2.26,2.26,2.26,2.26,2.26,2.26,2.26,2.26,2.26,4.16,6.608599045604242,6.697141585714721,6.736712964743027,6.760202361645591,6.776417754161895,6.788230471378589,6.797519490250368,6.805021245504726,6.8112054637178785,6.81644270094624,third
+271,6.44,93,1.7108599686890864e+17,0.51,-0.6733445532637656,162.2,Ring,Enzyme,1,0.20278058878893107,0.12617412602782296,6.28,5.513821979039907,4.924703762355137,4.471048287070479,4.123736552899324,3.857703205628672,3.6517450119104065,3.493175337252655,3.372156572676197,3.2795352419401667,3.2076807989363734,3.2,3.2,3.2,3.2,3.2,3.2,3.2,3.2,3.2,3.2,3.2,1.46,2.2261780209600928,2.815296237644863,3.2689517129295207,3.6162634471006765,3.882296794371328,4.088254988089593,4.246824662747345,4.367843427323804,4.460464758059834,4.532319201063627,first
+272,4.1,100,2.1225000009421094e+17,2.28,0.8241754429663494,196.5,Unknown,Enzyme,0,0.01325080742775116,0.00717407529985439,9.79,8.107290728029337,6.917106777772677,6.032868291615486,5.353273234523032,4.807572154402678,4.362274021838954,3.9945405871762367,3.68499702804578,3.4184917950062848,3.1874755246189097,0.48,0.48,0.48,0.48,0.48,0.48,0.48,0.48,0.48,0.48,0.48,1.03,1.8713546359853304,2.4664466111136614,2.9085658541922563,3.248363382738483,3.5212139227986605,3.7438629890805224,3.9277297064118812,4.08250148597711,4.215754102496858,4.331262237690545,second
+274,3.68,94,1.5487333737456182e+17,3.88,1.355835153635182,98.8,Ring,Enzyme,0,0.18595867665359903,0.15809903495746994,5.75,1.043558491459686,0.7440984570165292,0.6088906668213147,0.5283354808634702,0.47264611935127954,0.43201876954928786,0.40002271737890044,0.37418258547315414,0.3528744006797532,0.3348201123384601,0.26,0.26,0.26,0.26,0.26,0.26,0.26,0.26,0.26,0.26,0.26,4.78,6.3488138361801045,6.448633847661156,6.4937031110595616,6.520554839712177,6.539117960216241,6.552660410150238,6.5633257608737,6.571939138175615,6.5790418664400825,6.585059962553847,third
+273,1.39,95,3.2136956575249875e+17,3.77,1.3270750014599193,37.2,Ring,Acid,0,0.2135299851840139,0.1145618527403258,5.92,5.249740785623159,4.999888776148308,4.897422523741082,4.853696361227275,4.834737295493322,4.826461919221541,4.822837707289076,4.821247305055061,4.820548401436983,4.82024077043974,1.1,0.429740785623159,0.1798887761483077,0.0774225237410824,0.033696361227274804,0.014737295493321673,0.00646191922154102,0.0028377072890762244,0.0012473050550608437,0.0005484014369832099,0.00024077043973913314,3.66,4.3302592143768415,4.580111223851692,4.682577476258918,4.726303638772725,4.745262704506678,4.753538080778459,4.757162292710924,4.758752694944939,4.759451598563017,4.75975922956026,second
+275,7.39,94,4.3869603241980166e+17,0.57,-0.5621189181535413,34.6,Unknown,Acid,0,0.612025010447632,0.38409334474390705,9.47,8.906898380316898,8.900088535181292,8.900001177046306,8.900000205820373,8.900001148122282,8.899999868934385,8.899999533841157,8.900001101571991,8.900001019540747,8.90000021893591,0.57,0.006898380316897001,8.853518129140725e-05,1.1770463050467552e-06,2.058203716385011e-07,1.1481222827311673e-06,-1.3106561588301734e-07,-4.6615884416131857e-07,1.1015719901901068e-06,1.0195407466934124e-06,2.189359089560057e-07,3.34,3.9031016196831025,3.9099114648187085,3.9099988229536953,3.9099997941796287,3.9099988518777176,3.910000131065616,3.910000466158844,3.90999889842801,3.9099989804592536,3.909999781064091,second
+280,11.64,98,4.819262334795548e+17,4.58,1.5216989981260935,67.6,Ring,Base,0,0.25130218697980544,0.15810116814924102,4.92,0.8975355851069052,0.6399914254622912,0.523739113680771,0.4544862843101779,0.4065597454463642,0.37160362378350464,0.34411522622158947,0.32188294190634154,0.30353895162591826,0.28800058147768026,3.27,3.27,3.27,3.27,3.27,3.27,3.27,3.27,3.27,3.27,3.27,4.68,6.020821471631031,6.106669524845903,6.1454202954397426,6.168504571896607,6.184480084851212,6.196132125405498,6.2052949245928035,6.212705686031219,6.218820349458027,6.223999806174106,third
+279,12.44,92,2.6469538135431334e+17,3.36,1.2119409739751128,126.5,Unknown,Base,1,1.5768795966974203,1.1001438403199217,5.29,1.902078207448832,1.9037145279603895,1.902811688662372,1.9008661149778947,1.900487342180657,1.9011507131453131,1.902745746586242,1.904131937063911,1.902994855057869,1.9029550935749426,1.03,1.03,1.03,1.03,1.03,1.03,1.03,1.03,1.03,1.03,1.03,3.49,5.183960896275583,5.183142736019804,5.183594155668813,5.1845669425110525,5.18475632890967,5.184424643427343,5.183627126706879,5.1829340314680445,5.183502572471066,5.183522453212529,second
+273,7.43,94,4.8469958281171654e+17,2.4,0.8754687373538999,190.1,Branched,Acid,0,0.5003447625281225,0.31966509992546205,6.87,6.4697241899775015,6.069448379955004,5.669172569932505,5.268896759910008,4.868620949887509,4.4683451398650105,4.068069329842512,3.667793519820013,3.267517709797514,2.8672418997750153,4.98,4.98,4.98,4.98,4.98,4.98,4.98,4.98,4.98,4.98,4.98,0.66,1.0602758100224983,1.4605516200449962,1.8608274300674945,2.2611032400899926,2.6613790501124908,3.0616548601349898,3.461930670157488,3.862206480179987,4.262482290202486,4.662758100224984,zero
+277,10.59,92,1.1880945708335438e+17,3.45,1.2383742310432684,123.1,Linear,None,1,0.5315392354660251,0.2736344174147462,8.64,1.9609797279248464,1.8771668198814935,1.8739666106834594,1.8729044122669238,1.87302420930908,1.872913920178481,1.8725550812596667,1.8724863683449737,1.8728143675350508,1.8746205141459154,2.91,2.91,2.91,2.91,2.91,2.91,2.91,2.91,2.91,2.91,2.91,3.44,6.779510136037576,6.821416590059252,6.8230166946582695,6.823547793866537,6.823487895345459,6.823543039910759,6.823722459370166,6.823756815827513,6.823592816232474,6.822689742927042,second
+279,1.22,93,2.8573565124871242e+17,1.13,0.12221763272424911,61.4,Ring,Acid,1,1.1060860304852453,0.9352704024187508,4.25,2.041085656699555,2.0437381866530795,2.039495834644722,2.040967310443846,2.0406028933320446,2.0400280029282074,2.043312528951843,2.040492784181969,2.0411457117873546,2.043489773760654,2.96,2.96,2.96,2.96,2.96,2.96,2.96,2.96,2.96,2.96,2.96,3.82,4.924457171650222,4.92313090667346,4.9252520826776385,4.924516344778077,4.924698553333977,4.924985998535896,4.923343735524078,4.9247536079090155,4.924427144106323,4.923255113119673,second
+270,2.54,94,4.8678660859723565e+17,3.85,1.3480731482996928,100.0,Branched,Acid,0,0.3171674651927456,0.2616485372042775,3.41,2.6457851774290795,2.0528795158398427,1.591580629249406,1.2343226746170672,0.9589004638062177,0.7450216876472586,0.5776836416753164,0.44809486210683214,0.34806839598093786,0.270286875836994,2.51,2.51,2.51,2.51,2.51,2.51,2.51,2.51,2.51,2.51,2.51,2.2,2.2,2.2,2.2,2.2,2.2,2.2,2.2,2.2,2.2,2.2,first
+277,5.16,98,3.4498614163622144e+17,2.87,1.0543120297715298,133.5,Linear,Acid,0,0.1140273038750027,0.06178163600693622,8.55,7.046735122183932,6.369907763560629,6.021010852227299,5.829208805067213,5.719097895137284,5.654774461365041,5.6167585996959986,5.594029037427288,5.580478008413305,5.572316094334822,2.99,1.4867351221839311,0.809907763560628,0.46101085222729765,0.26920880506721157,0.15909789513728215,0.09477446136503888,0.056758599695996975,0.03402903742728627,0.020478008413303713,0.012316094334820397,1.97,3.473264877816069,4.150092236439372,4.498989147772702,4.690791194932788,4.800902104862717,4.86522553863496,4.903241400304003,4.9259709625727135,4.939521991586696,4.94768390566518,second
+274,11.63,99,3.485341795359879e+17,0.89,-0.11653381625595151,45.7,Branched,Acid,1,0.04660836585776737,0.04036773464144845,2.7,1.7221324381117824,1.412309532039188,1.2632931723129615,1.1793016251802444,1.1282555356694801,1.095962618509089,1.0755986914070705,1.0616434624725326,1.0524929333486208,1.046463114131101,0.14,0.14,0.14,0.14,0.14,0.14,0.14,0.14,0.14,0.14,0.14,0.72,1.0459558539627392,1.1492301559869373,1.1989022758956793,1.2268994582732518,1.2439148214435065,1.254679127163637,1.2614671028643099,1.2661188458424892,1.2691690222171264,1.2711789619562996,third
+280,3.33,96,1.5199636761789606e+17,3.15,1.1474024528375417,149.8,Linear,Enzyme,0,0.18714014291134695,0.11131735425434991,4.59,3.951784319019217,3.4023146302028118,2.9284534609331216,2.5200278409935306,2.1690210787171624,1.8678495522820777,1.6093626954729001,1.3868429976808145,1.1942631704163258,1.0282080325364102,2.44,2.44,2.44,2.44,2.44,2.44,2.44,2.44,2.44,2.44,2.44,4.62,5.258215680980784,5.807685369797188,6.281546539066879,6.689972159006469,7.0409789212828375,7.3421504477179225,7.600637304527099,7.823157002319185,8.015736829583675,8.18179196746359,first
+280,1.56,91,4.0408330794835936e+17,4.67,1.541159071680806,197.9,Ring,Enzyme,1,4.261865851392659,3.2553800476390946,9.67,6.452667449135184,6.452694592766718,6.452756343826767,6.452630809605698,6.45264118822027,6.452619716801558,6.452604271188934,6.452631293483548,6.452661867948178,6.452706222640103,1.66,0.051333724567593046,0.05134729638335892,0.05137817191338175,0.051315404802848345,0.05132059411013554,0.05130985840077972,0.051302135594468765,0.0513156467417759,0.05133093397409071,0.05135311132005409,1.19,2.798666275432408,2.798652703616641,2.7986218280866164,2.798684595197151,2.7986794058898647,2.798690141599221,2.7986978644055327,2.798684353258226,2.798669066025911,2.7986468886799485,third
+273,11.01,90,1.2553341831123472e+17,0.66,-0.4155154439616658,188.0,Unknown,Acid,0,0.7549643072049067,0.4329941294546888,7.01,3.832010477390558,2.0939372812217503,1.144895758350522,0.6267144813663076,0.3423075212735336,0.18741169070486352,0.10249836135053225,0.056021955757558875,0.03068516687118923,0.016774590262587957,1.2,1.2,1.2,1.2,1.2,1.2,1.2,1.2,1.2,1.2,1.2,0.84,4.017989522609441,5.756062718778249,6.705104241649477,7.223285518633691,7.507692478726465,7.662588309295136,7.747501638649466,7.79397804424244,7.819314833128809,7.833225409737411,first
+275,4.91,94,3.426549715181988e+16,4.9,1.589235205116581,60.6,Unknown,Acid,0,0.04780380879366547,0.029311461194900648,3.93,3.8917569529650677,3.8535139059301353,3.815270858895203,3.7770278118602705,3.738784764825338,3.7005417177904056,3.662298670755473,3.624055623720541,3.5858125766856084,3.547569529650676,4.36,4.36,4.36,4.36,4.36,4.36,4.36,4.36,4.36,4.36,4.36,2.99,3.0282430470349326,3.066486094069865,3.1047291411047975,3.14297218813973,3.1812152351746623,3.2194582822095947,3.257701329244527,3.2959443762794596,3.334187423314392,3.3724304703493244,zero
+273,13.34,97,1.2199167959129494e+17,3.56,1.269760544863939,147.0,Ring,None,1,0.03358142788216674,0.018876918726410983,7.58,7.416741050538046,7.2880671538627615,7.18564538548416,7.103994427662182,7.038996136235276,6.98689619366271,6.944461448059351,6.910038326337652,6.882187628608182,6.859593025631218,1.03,0.8667410505380453,0.738067153862761,0.6356453854841598,0.5539944276621818,0.4889961362352758,0.43689619366270893,0.39446144805934996,0.3600383263376516,0.3321876286081809,0.30959302563121716,1.71,1.8732589494619545,2.001932846137239,2.10435461451584,2.186005572337818,2.251003863764724,2.303103806337291,2.34553855194065,2.3799616736623483,2.407812371391819,2.4304069743687826,second
+271,5.06,90,4.34564141014397e+17,3.64,1.2919836816486494,34.4,Unknown,Base,0,1.95042804763874,1.6934281132864364,9.85,2.0705871949322634,0.43620460885615564,0.09164418620213463,0.019301600414718772,0.004060003153275335,0.0008539025866872606,0.0001799054064197724,3.8062174239814826e-05,8.115222030363753e-06,1.8940732221472184e-06,2.7,2.7,2.7,2.7,2.7,2.7,2.7,2.7,2.7,2.7,2.7,4.55,4.55,4.55,4.55,4.55,4.55,4.55,4.55,4.55,4.55,4.55,first
+273,7.02,99,2.9026486017831984e+16,1.4,0.3364722366212129,167.3,Branched,Base,0,0.0033103829315928248,0.0018678982255515401,7.53,7.527351693654726,7.524703387309452,7.5220550809641775,7.519406774618903,7.516758468273629,7.514110161928355,7.5114618555830805,7.508813549237806,7.506165242892532,7.503516936547258,4.75,4.75,4.75,4.75,4.75,4.75,4.75,4.75,4.75,4.75,4.75,3.86,3.862648306345274,3.8652966126905484,3.8679449190358226,3.870593225381097,3.873241531726371,3.8758898380716453,3.878538144416919,3.8811864507621934,3.883834757107468,3.8864830634527423,zero
+278,13.7,100,2.3927047162852224e+17,4.49,1.501852701754163,139.3,Branched,Enzyme,0,0.038794631805877236,0.03365541279280178,4.57,3.1651196890265054,2.5878156489880335,2.25533373236179,2.0331979215207916,1.8705282657055486,1.7462970819653587,1.6460708883533348,1.5635002265890834,1.4942111488114191,1.4348371888435487,2.0,1.2975598445132526,1.0089078244940166,0.8426668661808949,0.7315989607603957,0.6502641328527742,0.5881485409826792,0.5380354441766673,0.4967501132945415,0.4621055744057094,0.43241859442177416,2.56,3.2624401554867473,3.5510921755059837,3.717333133819105,3.8284010392396044,3.909735867147226,3.9718514590173206,4.021964555823333,4.063249886705458,4.097894425594291,4.127581405578226,third
+275,4.05,94,4.801087893123315e+17,2.19,0.7839015438284094,178.3,Linear,Acid,1,0.6697999641667525,0.5100026852428646,1.84,1.598465104129915,1.569493998405583,1.5658006358835332,1.565092621014382,1.5648304865118865,1.5654201783278674,1.5645410328597447,1.566136357987973,1.5641812089745943,1.566149067252768,1.8,1.558465104129915,1.5294939984055829,1.5258006358835332,1.525092621014382,1.5248304865118865,1.5254201783278674,1.5245410328597446,1.526136357987973,1.5241812089745943,1.526149067252768,2.86,3.1015348958700852,3.130506001594417,3.134199364116467,3.134907378985618,3.1351695134881137,3.1345798216721326,3.1354589671402557,3.133863642012027,3.135818791025406,3.1338509327472317,second
+278,11.75,92,8.205071654197744e+16,3.78,1.3297240096314962,181.4,Unknown,Base,0,0.42381302970497825,0.2986581506020852,2.68,1.8115248099273533,1.6528248196486532,1.5981350922177127,1.576279767484057,1.5670551977709462,1.5630763802711751,1.5613455164516319,1.5605898855963982,1.5602593987554432,1.5601136991035218,0.56,0.12576240496367663,0.04641240982432659,0.01906754610885627,0.008139883742028406,0.0035275988854730133,0.0015381901355874374,0.0006727582258157967,0.00029494279819904866,0.00012969937772152823,5.684955176082366e-05,0.97,1.4042375950363235,1.4835875901756734,1.5109324538911437,1.5218601162579717,1.526472401114527,1.5284618098644127,1.5293272417741843,1.5297050572018012,1.5298703006222787,1.5299431504482395,third
+277,9.29,92,2.815203803041919e+17,2.58,0.9477893989335261,103.9,Ring,Enzyme,1,1.2594883554598764,0.90010384748195,3.34,2.3936274687104424,2.3813417522915725,2.38135628408244,2.3824877720660833,2.380987217428065,2.380952901122994,2.3816979322366945,2.3818561728456396,2.3806926217952475,2.381228561874376,1.97,1.023627468710442,1.0113417522915724,1.0113562840824397,1.0124877720660832,1.0109872174280645,1.010952901122994,1.011697932236694,1.0118561728456394,1.0106926217952474,1.0112285618743757,2.41,3.3563725312895576,3.3686582477084275,3.36864371591756,3.3675122279339167,3.369012782571935,3.369047098877006,3.3683020677633055,3.3681438271543604,3.3693073782047525,3.368771438125624,second
+273,9.8,92,1.151404322650477e+17,4.66,1.5390154481375546,30.2,Branched,Base,1,0.2868862568385636,0.23909730218160613,1.21,0.9864440908446009,0.941283438577407,0.9311965514027004,0.9290038266606346,0.9282391513242061,0.9281602700126511,0.9279803064572529,0.9283865494478982,0.9280660804613842,0.9282402006056875,1.39,1.2782220454223006,1.2556417192887035,1.2505982757013503,1.2495019133303173,1.2491195756621032,1.2490801350063256,1.2489901532286265,1.2491932747239491,1.249033040230692,1.2491201003028436,1.15,1.2617779545776993,1.2843582807112963,1.2894017242986495,1.2904980866696825,1.2908804243378966,1.2909198649936742,1.2910098467713733,1.2908067252760507,1.2909669597693079,1.2908798996971562,third
+270,1.5,94,1.807076697044432e+17,4.65,1.536867219599265,133.7,Linear,Acid,1,0.11774069485232679,0.0972104945358949,1.61,1.3401856837428974,1.2873565108739842,1.2756794418015218,1.273161144322181,1.272055870173998,1.2722427253630908,1.2715730594243324,1.2724899040028528,1.2721455184774388,1.2721046665433078,1.97,1.97,1.97,1.97,1.97,1.97,1.97,1.97,1.97,1.97,1.97,2.38,2.4699381054190344,2.487547829708672,2.4914401860661597,2.4922796185592735,2.4926480432753344,2.4925857582123037,2.4928089801918896,2.4925033653323827,2.492618160507521,2.4926317778188976,third
+275,13.21,95,4.962750679667174e+17,1.36,0.3074846997479607,34.7,Linear,Base,0,0.4470714278133162,0.3086379847892423,6.56,0.711530635203502,0.4311675241031604,0.31535355981154845,0.2505916666532486,0.20872826702807712,0.17924332331595996,0.15717041185424835,0.1402438887431042,0.12664819526473528,0.11545233829256527,4.29,1.3657653176017504,1.2255837620515795,1.1676767799057735,1.1352958333266236,1.1143641335140377,1.0996216616579793,1.0885852059271235,1.0801219443715513,1.073324097632367,1.067726169146282,1.12,4.044234682398249,4.184416237948421,4.242323220094226,4.274704166673377,4.295635866485963,4.310378338342021,4.321414794072877,4.329878055628449,4.336675902367634,4.342273830853719,third
+275,4.16,96,1.040611691594412e+17,4.68,1.5432981099295553,100.8,Branched,Enzyme,0,0.0605329937231681,0.04398105296990611,8.08,2.7351906739767453,1.935194055385356,1.5578045702494268,1.3291616942177744,1.1703247870866016,1.0538073764892508,0.9622591112619898,0.8883730743660923,0.8275017356457264,0.7760190647107295,4.47,1.7975953369883724,1.3975970276926777,1.2089022851247129,1.094580847108887,1.0151623935433005,0.9569036882446251,0.9111295556309945,0.8741865371830457,0.8437508678228628,0.8180095323553643,3.28,5.952404663011627,6.352402972307322,6.541097714875286,6.655419152891112,6.734837606456699,6.793096311755375,6.838870444369005,6.875813462816954,6.906249132177137,6.931990467644635,third
+274,6.57,90,1.5377848431200717e+17,1.92,0.6523251860396901,128.8,Unknown,Acid,1,1.0688392561294684,0.8186641938572407,6.8,4.198347467616156,3.6247289920739005,3.497891485327612,3.4696182458326583,3.462698017406683,3.4615945588923163,3.461269325655382,3.461137488708797,3.460636936751728,3.462298680880304,0.81,0.81,0.81,0.81,0.81,0.81,0.81,0.81,0.81,0.81,0.81,1.18,3.7816525323838435,4.355271007926099,4.482108514672388,4.510381754167341,4.517301982593317,4.518405441107683,4.518730674344617,4.518862511291203,4.519363063248272,4.517701319119696,first
+278,13.18,92,7.446953443573085e+16,3.28,1.1878434223960523,119.0,Ring,Acid,0,0.38465427652639084,0.3444880299983616,2.14,0.6969966582352057,0.5067255717299185,0.41744624532455293,0.3634833167099748,0.3258358464450194,0.29823294054071636,0.2764595528366521,0.25879345621101146,0.24418103130605912,0.23178560151653999,1.64,1.64,1.64,1.64,1.64,1.64,1.64,1.64,1.64,1.64,1.64,2.55,3.0310011139215978,3.09442480942336,3.1241845848918155,3.1421722277633415,3.1547213845183264,3.1639223531530942,3.171180149054449,3.1770688479296627,3.181939656231313,3.186071466161153,third
+273,9.9,91,3.766018364583095e+17,3.81,1.3376291891386096,145.0,Linear,Base,1,1.4578300906492228,1.2322397068971171,7.46,1.8433985902746086,1.8419759289280933,1.8414654392903216,1.842687073300368,1.843801133229491,1.8444131069938954,1.8454215165724899,1.8443137551746844,1.8428505467029557,1.843307710200132,3.69,3.69,3.69,3.69,3.69,3.69,3.69,3.69,3.69,3.69,3.69,1.21,4.018300704862695,4.019012035535953,4.019267280354839,4.018656463349815,4.018099433385253,4.017793446503052,4.017289241713755,4.017843122412658,4.018574726648523,4.018346144899936,second
+272,11.32,97,2.4602996289906816e+17,3.32,1.199964782928397,158.4,Linear,Enzyme,1,0.05787897150288146,0.048425704228612566,4.87,1.857774293615098,1.4716244985467195,1.3273649431516497,1.2618287636575727,1.229567581554222,1.2126999509209497,1.2039912034054918,1.1996597194971754,1.1970471059585384,1.19572776639694,1.14,1.14,1.14,1.14,1.14,1.14,1.14,1.14,1.14,1.14,1.14,0.81,1.814075235461634,1.9427918338177603,1.9908783522827838,2.012723745447476,2.0234774728152596,2.0291000163596835,2.032002932198169,2.033446760167608,2.034317631347154,2.03475741120102,third
+279,11.06,93,2.2841505184752003e+17,1.99,0.688134638736401,109.0,Unknown,Acid,0,0.8841973232846401,0.5614305413788705,1.38,0.6796019719652303,0.33550361131949025,0.1656641749092646,0.08166846092234083,0.040257353717768556,0.019875092131635023,0.009811756875613137,0.004834238774692819,0.0023844475356379815,0.0011780273285516324,3.15,3.15,3.15,3.15,3.15,3.15,3.15,3.15,3.15,3.15,3.15,4.7,5.40039802803477,5.74449638868051,5.914335825090736,5.998331539077659,6.039742646282232,6.0601249078683646,6.070188243124386,6.075165761225307,6.077615552464361,6.078821972671448,first
+279,3.13,100,3.529651691051951e+17,2.14,0.7608058290337602,116.6,Linear,Base,0,0.0668286166018709,0.05780745689532259,5.63,4.583689504939814,3.904634441343852,3.428280161584208,3.0789657692905443,2.8083939111127654,2.5951901683192435,2.4238605390790156,2.2821494282749852,2.1632297129229947,2.0625446306897643,4.41,3.3636895049398143,2.684634441343852,2.208280161584208,1.8589657692905448,1.5883939111127658,1.3751901683192438,1.2038605390790162,1.062149428274986,0.9432297129229953,0.8425446306897648,3.99,5.036310495060186,5.715365558656148,6.191719838415792,6.541034230709456,6.811606088887235,7.024809831680757,7.1961394609209846,7.337850571725015,7.456770287077005,7.557455369310236,second
+278,10.58,97,4.7005561012711917e+17,0.54,-0.616186139423817,180.0,Branched,Acid,1,0.2790842277089148,0.20461764521631587,5.52,2.0239570189042655,1.961939286184528,1.9584078251414112,1.9581353566822892,1.9594767937465891,1.9584877502608053,1.9577252013656756,1.9570497314430282,1.9571785214576305,1.9591934874348065,2.89,1.1419785094521326,1.110969643092264,1.1092039125707058,1.1090676783411448,1.1097383968732948,1.1092438751304028,1.108862600682838,1.1085248657215143,1.1085892607288155,1.1095967437174035,4.02,5.768021490547867,5.799030356907736,5.800796087429295,5.800932321658856,5.800261603126706,5.800756124869598,5.801137399317162,5.801475134278486,5.801410739271185,5.800403256282597,third
+272,2.87,98,4.5608618514929875e+17,4.54,1.5129270120532565,40.0,Linear,None,0,0.06894990436922092,0.0541115165957604,6.44,5.272692278131183,4.542399594749245,4.046856544606444,3.688602734420242,3.4215363281831284,3.2142629291549962,3.0500933292040733,2.9186516938385028,2.811357043629439,2.7220628898864856,4.26,3.092692278131183,2.3623995947492444,1.8668565446064436,1.5086027344202408,1.241536328183127,1.0342629291549952,0.8700933292040723,0.7386516938385015,0.6313570436294379,0.5420628898864848,0.24,1.4073077218688166,2.137600405250755,2.6331434553935558,2.9913972655797587,3.2584636718168722,3.4657370708450044,3.6299066707959273,3.761348306161498,3.8686429563705618,3.957937110113515,second
+273,3.58,100,3.228487816705087e+17,3.16,1.1505720275988207,171.2,Unknown,Enzyme,0,0.023699562832666894,0.018745550535953247,3.78,2.6130168293505998,2.056003509571296,1.7168943753562589,1.485527357168853,1.3167829389528616,1.1848083238474496,1.0800003871624728,0.994624483770312,0.9226183050910544,0.8610030726502769,3.49,2.9065084146753,2.6280017547856485,2.45844718767813,2.3427636785844275,2.2583914694764315,2.192404161923726,2.140000193581237,2.097312241885157,2.061309152545528,2.030501536325139,3.93,4.5134915853247,4.791998245214352,4.96155281232187,5.077236321415573,5.161608530523569,5.227595838076275,5.279999806418764,5.322687758114844,5.358690847454473,5.389498463674862,third
+279,13.5,95,3.8839473006487264e+17,4.55,1.5151272329628591,77.4,Branched,Base,0,0.6348080386007978,0.36051904068163027,7.11,3.294279109150406,3.2900181141914926,3.289999680906023,3.290001989201065,3.289999647087489,3.2899997290322194,3.2900009274110267,3.2899992234367867,3.2900034784585745,3.290000458071802,1.91,0.002139554575202968,9.057095746037771e-06,-1.595469884128826e-07,9.946005325405152e-07,-1.7645625546399962e-07,-1.3548389020867792e-07,4.63705513244897e-07,-3.882816066492224e-07,1.7392292874543847e-06,2.2903590114238534e-07,0.36,2.267860445424797,2.2699909429042537,2.2700001595469885,2.2699990053994674,2.2700001764562554,2.2700001354838903,2.269999536294487,2.270000388281607,2.2699982607707123,2.269999770964099,third
+273,8.24,90,3.871183660477594e+17,2.78,1.0224509277025455,116.4,Branched,Enzyme,0,2.328149372185033,1.559734221439364,5.94,1.3574493866497608,1.3406034524309174,1.3400215147110992,1.340000526586835,1.3399998065678436,1.339997490232557,1.339999610713293,1.3399996796629288,1.3399991086822816,1.3400002869624423,2.3,0.008724693324880264,0.00030172621545854986,1.075735554952223e-05,2.6329341762583795e-07,-9.671607807818193e-08,-1.2548837212818224e-06,-1.9464335334469883e-07,-1.6016853542802414e-07,-4.456588590360356e-07,1.4348122128239797e-07,2.5,4.791275306675119,4.79969827378454,4.7999892426444495,4.799999736706582,4.800000096716078,4.80000125488372,4.800000194643352,4.800000160168534,4.800000445658858,4.799999856518777,third
+275,12.14,97,2.5237716313910634e+17,4.32,1.463255402256019,49.0,Branched,None,0,0.09479872592208387,0.061332387427619185,6.3,3.2252245608541994,2.1668235776286964,1.6324138425684742,1.3099911466697667,1.0929327076335376,0.9380148517201096,0.8221766279431015,0.7309491655438315,0.6580923615010488,0.5984592715018386,0.14,0.14,0.14,0.14,0.14,0.14,0.14,0.14,0.14,0.14,0.14,0.97,2.5073877195729,3.0365882111856517,3.3037930787157626,3.465004426665116,3.5735336461832308,3.650992574139945,3.708911686028449,3.7545254172280838,3.790953819249475,3.8207703642490802,second
+276,1.81,94,1.914280084785834e+17,3.84,1.3454723665996355,180.1,Unknown,None,0,0.3099591084086327,0.1560388313818642,9.8,9.552032713273094,9.304065426546188,9.056098139819282,8.808130853092376,8.56016356636547,8.312196279638561,8.064228992911655,7.816261706184749,7.5682944194578425,7.320327132730935,0.39,0.39,0.39,0.39,0.39,0.39,0.39,0.39,0.39,0.39,0.39,1.52,1.7679672867269063,2.015934573453813,2.2639018601807184,2.5118691469076246,2.759836433634531,3.0078037203614376,3.255771007088344,3.5037382938152506,3.751705580542157,3.999672867269065,zero
+278,6.25,94,4.8265350802644026e+17,2.86,1.0508216248317612,106.7,Unknown,Enzyme,0,1.0493613013497538,0.5257320650417288,6.22,2.5572210306511627,2.3597051945085497,2.3341639169034694,2.3305891797365343,2.330083728383876,2.3300117371100875,2.3300016580733773,2.3300001259279277,2.3300000909657053,2.3300000820283815,3.89,0.22722103065116273,0.02970519450854989,0.0041639169034700715,0.0005891797365350831,8.372838387675513e-05,1.1737110088267356e-05,1.6580733780239194e-06,1.259279284822129e-07,9.096570579384342e-08,8.202838240443031e-08,3.94,7.602778969348836,7.800294805491449,7.825836083096529,7.829410820263464,7.829916271616122,7.829988262889911,7.829998341926622,7.8299998740720715,7.829999909034294,7.829999917971617,second
+271,13.5,98,1.1588472934038432e+17,2.24,0.8064758658669485,70.0,Linear,Base,0,0.014930163816038493,0.01060222589999852,5.75,5.681729772252277,5.614270122640876,5.547611427222605,5.481744175408909,5.416658968675136,5.35234652505314,5.288797670711207,5.226003338674697,5.163954568826044,5.102642507904761,3.41,3.41,3.41,3.41,3.41,3.41,3.41,3.41,3.41,3.41,3.41,1.82,1.82,1.82,1.82,1.82,1.82,1.82,1.82,1.82,1.82,1.82,first
+273,6.36,91,3.4743003446670874e+17,4.98,1.6054298910365616,70.3,Linear,Base,1,1.344905705729171,0.7784063218551874,8.87,1.8515259810869449,1.8519319115889732,1.852032997162327,1.8509869347432468,1.8523165389373026,1.8492487426216169,1.8511066629876067,1.8497496653340482,1.8503854663936967,1.8517311592124026,4.26,4.26,4.26,4.26,4.26,4.26,4.26,4.26,4.26,4.26,4.26,2.41,5.919237009456528,5.919034044205514,5.918983501418837,5.919506532628378,5.91884173053135,5.920375628689192,5.919446668506198,5.9201251673329764,5.9198072668031525,5.9191344203938,second
+274,9.54,96,3.396010682846568e+17,2.92,1.0715836162801904,199.5,Branched,Base,0,0.169480728638378,0.09046302744060362,3.84,2.2962386056784463,1.5789540780663693,1.1676437364191488,0.9041602405856897,0.7201970561474642,0.5864270804422371,0.4853427399865178,0.4060699890700946,0.34315028356553423,0.292231474412888,4.71,3.166238605678446,2.4489540780663694,2.037643736419149,1.7741602405856896,1.590197056147464,1.4564270804422372,1.3553427399865179,1.2760699890700946,1.2131502835655343,1.162231474412888,4.41,5.953761394321553,6.671045921933629,7.08235626358085,7.34583975941431,7.529802943852536,7.663572919557763,7.764657260013482,7.843930010929905,7.906849716434466,7.957768525587112,second
+280,3.32,90,1.3615156859435461e+17,1.33,0.28517894223366247,80.5,Unknown,Base,0,2.2065335610589187,1.4771051314914991,9.23,1.580774468594131,0.271080884777929,0.04651477174266562,0.007980548348054561,0.0013674656654147409,0.00023414662104941975,4.049835655298469e-05,7.038272670821393e-06,1.3653914125682137e-06,2.854406840103383e-07,4.95,4.95,4.95,4.95,4.95,4.95,4.95,4.95,4.95,4.95,4.95,4.96,4.96,4.96,4.96,4.96,4.96,4.96,4.96,4.96,4.96,4.96,first
+273,2.13,93,9.889858375643787e+16,4.71,1.5496879080283263,176.4,Linear,Base,0,0.15860956454576033,0.13633799822431014,6.31,5.5580529636885245,4.895685445686339,4.311452938062314,3.796592600216009,3.343607206722338,2.9454220756159732,2.595385068391348,2.287266590002651,2.0152609782783864,1.7751076260298018,1.8,1.8,1.8,1.8,1.8,1.8,1.8,1.8,1.8,1.8,1.8,2.51,3.2619470363114753,3.92431455431366,4.508547061937685,5.0234073997839905,5.476392793277661,5.874577924384026,6.224614931608651,6.532733409997348,6.8047390217216135,7.044892373970198,first
+280,6.21,91,6.662057988004341e+16,3.77,1.3270750014599193,46.7,Ring,Acid,0,0.702647124505868,0.6289770199801419,4.14,0.7343520415200917,0.4029378045933406,0.2777019091849693,0.21188250149869797,0.17112060703297272,0.14369603635542486,0.12375413934129464,0.10862847067413833,0.09691570122342366,0.08745013192430784,2.78,2.78,2.78,2.78,2.78,2.78,2.78,2.78,2.78,2.78,2.78,2.46,4.1628239792399535,4.328531097703329,4.391149045407515,4.4240587492506505,4.444439696483513,4.458151981822287,4.4681229303293515,4.47568576466293,4.481542149388287,4.486274934037844,second
+278,1.41,100,1.5827495048788976e+17,2.86,1.0508216248317612,195.6,Branched,Base,1,0.0256622490292245,0.017564876289939812,3.21,2.865939640410091,2.598155103579364,2.3842274565408363,2.21143051668742,2.070863430138049,1.9544905950760447,1.8554397623036751,1.771123936875054,1.6992858939766102,1.6376781394932127,0.51,0.51,0.51,0.51,0.51,0.51,0.51,0.51,0.51,0.51,0.51,1.1,1.2720301797949545,1.405922448210318,1.512886271729582,1.59928474165629,1.6695682849309756,1.7277547024619777,1.7772801188481626,1.8194380315624732,1.855357053011695,1.8861609302533937,second
+272,3.59,99,1.487427030521666e+17,1.27,0.23901690047049992,162.0,Unknown,Enzyme,0,0.01445028346187589,0.009403746544131628,1.81,1.5437776991965058,1.350843259553486,1.202888664902672,1.0865079253997134,0.9930724725147486,0.915103961899692,0.8482103836750019,0.7909187698696253,0.7412619363817241,0.6977104537066453,4.19,4.056888849598253,3.960421629776743,3.8864443324513362,3.828253962699857,3.7815362362573746,3.7425519809498464,3.7091051918375015,3.6804593849348133,3.6556309681908625,3.6338552268533233,3.53,3.6631111504017473,3.7595783702232572,3.833555667548664,3.8917460373001433,3.9384637637426256,3.9774480190501538,4.010894808162499,4.039540615065187,4.064369031809138,4.086144773146677,third
+279,7.81,99,7.180826569401282e+16,4.32,1.463255402256019,83.1,Ring,Base,0,0.020923423799099485,0.012471930265635674,2.51,2.49326126096072,2.4765225219214404,2.4597837828821607,2.4430450438428815,2.4263063048036018,2.409567565764322,2.392828826725043,2.376090087685763,2.3593513486464834,2.3426126096072037,1.34,1.34,1.34,1.34,1.34,1.34,1.34,1.34,1.34,1.34,1.34,1.42,1.4367387390392794,1.453477478078559,1.4702162171178386,1.4869549561571183,1.503693695196398,1.5204324342356774,1.5371711732749571,1.5539099123142366,1.5706486513535163,1.5873873903927957,zero
+277,3.25,96,9.125226560566046e+16,0.71,-0.342490308946776,187.3,Branched,Enzyme,0,0.07188030293970753,0.05796949693199718,5.34,5.21442267683573,5.123333703062207,5.05636531977447,5.007143691095451,4.970666132393921,4.943171745995237,4.9226297175928035,4.907282189569189,4.895678543506444,4.886931895238711,0.48,0.3544226768357302,0.2633337030622071,0.19636531977446992,0.14714369109545153,0.11066613239392156,0.08317174599523669,0.06262971759280282,0.04728218956918874,0.035678543506443436,0.026931895238711208,4.22,4.34557732316427,4.436666296937792,4.50363468022553,4.552856308904548,4.589333867606078,4.616828254004763,4.637370282407196,4.6527178104308105,4.664321456493556,4.673068104761288,second
+280,12.76,93,2.5816053975627344e+17,4.05,1.3987168811184478,64.5,Linear,Acid,1,1.153189496857602,0.8349348665737161,4.35,1.766279312679406,1.766069915661055,1.7676962667325096,1.765311060168129,1.7633799039556963,1.7635357715704068,1.7654904557464064,1.7668641959760547,1.766929403940056,1.7656162199225105,2.89,2.89,2.89,2.89,2.89,2.89,2.89,2.89,2.89,2.89,2.89,3.01,4.301860343660297,4.301965042169472,4.301151866633745,4.302344469915934,4.3033100480221504,4.303232114214795,4.302254772126795,4.30156790201197,4.30153529802997,4.302191890038743,second
+275,12.72,91,1.0692827597100314e+17,4.62,1.5303947050936475,154.8,Ring,None,0,0.554052661087904,0.3963269880461375,1.11,1.0017586398292515,0.9438677192222187,0.9080228379212807,0.8846776730708917,0.8689376884392417,0.8580127153852748,0.8502671944801216,0.844767071561272,0.8407830364794401,0.8378917739766792,0.14,0.08587931991462577,0.05693385961110929,0.039011418960640316,0.027338836535445787,0.019468844219620758,0.014006357692637326,0.010133597240060733,0.007383535780635941,0.00539151823972,0.003945886988339549,4.15,4.204120680085375,4.233066140388891,4.25098858103936,4.262661163464555,4.27053115578038,4.2759936423073635,4.27986640275994,4.282616464219365,4.28460848176028,4.2860541130116605,third
+279,4.01,92,2.3557514512660624e+17,4.88,1.5851452198650557,159.3,Branched,None,1,1.403400535130364,0.820903393953248,3.31,0.9817077219252129,0.9822605435833602,0.9823462189770834,0.9829151484011065,0.981427638705277,0.9814462042750888,0.9806897539874917,0.9809006978460935,0.9810916421628064,0.9816911578368608,3.37,3.37,3.37,3.37,3.37,3.37,3.37,3.37,3.37,3.37,3.37,0.84,1.6160974260249292,1.6159131521388803,1.615884593674306,1.615694950532965,1.6161907870982413,1.6161845985749705,1.6164367486708362,1.6163664340513022,1.6163027859457315,1.6161029473877133,third
+274,11.02,99,4.688745192455058e+17,0.63,-0.4620354595965587,67.3,Unknown,None,1,0.06270109624104411,0.04992567274473687,3.11,1.6059025278606456,1.2641584395100707,1.109751452909174,1.0262250576204246,0.9758770150894043,0.9451100658675772,0.924677929786856,0.9116349157341795,0.9032508699172183,0.8973552148479662,1.25,1.25,1.25,1.25,1.25,1.25,1.25,1.25,1.25,1.25,1.25,0.13,0.6313658240464514,0.7452805201633097,0.7967495156969419,0.8245916474598584,0.8413743283035318,0.8516299780441409,0.858440690071048,0.86278836142194,0.8655830433609272,0.8675482617173446,third
+279,10.0,100,3.47027807011707e+17,1.02,0.01980262729617973,181.1,Linear,Acid,1,0.06570446688483765,0.04185596757372605,4.31,4.331476300460493,4.347970834779547,4.360639717263542,4.370296899860526,4.377649536571089,4.3833099405221,4.3876452455865005,4.390926023403413,4.393410088666048,4.395325912432056,0.04,0.061476300460493294,0.07797083477954699,0.09063971726354178,0.1002968998605259,0.10764953657108911,0.1133099405221,0.11764524558650066,0.12092602340341332,0.12341008866604775,0.12532591243205526,1.0,0.9785236995395067,0.9620291652204531,0.9493602827364582,0.9397031001394741,0.9323504634289109,0.9266900594779001,0.9223547544134995,0.9190739765965867,0.9165899113339524,0.9146740875679448,second
+270,5.4,99,2.1934160400444726e+17,3.27,1.184789984909162,46.0,Ring,Base,0,0.015407349683603223,0.009639503579600467,1.82,1.6775036255212072,1.559596811703301,1.4597471435657707,1.3736198259672556,1.299138301418427,1.2344108457222647,1.1776202213649782,1.127023677516009,1.0809529500280277,1.0381971009866886,1.93,1.8587518127606035,1.7997984058516503,1.749873571782885,1.7068099129836276,1.6695691507092132,1.6372054228611321,1.608810110682489,1.5835118387580043,1.5604764750140137,1.539098550493344,4.38,4.451248187239396,4.5102015941483495,4.560126428217115,4.603190087016372,4.640430849290786,4.672794577138867,4.701189889317511,4.7264881612419956,4.749523524985985,4.770901449506655,third
+278,13.6,96,3.59431565686342e+17,1.63,0.4885800148186709,105.5,Branched,None,0,0.32892996762726584,0.2584538639464702,3.74,1.0608639988273145,0.71745952184829,0.5603408988014721,0.46612752429655085,0.40281568476573365,0.3560411517335423,0.3201673337882295,0.2918196618860527,0.26841518065764836,0.24876570005562673,2.3,0.9604319994136571,0.7887297609241448,0.7101704494007359,0.6630637621482752,0.6314078423828666,0.6080205758667708,0.5900836668941145,0.5759098309430261,0.5642075903288238,0.5543828500278131,2.58,3.919568000586343,4.091270239075855,4.169829550599264,4.216936237851725,4.248592157617133,4.271979424133229,4.289916333105885,4.304090169056973,4.315792409671176,4.325617149972187,third
+277,12.7,93,4.993538298661111e+17,1.44,0.36464311358790924,156.0,Unknown,Base,1,1.447148780253089,1.1140867814389004,7.56,4.709829133916191,4.7074290273276,4.70931854799675,4.7110027681593465,4.708320948130257,4.7091816314862145,4.708931030232724,4.708479069553655,4.708959447342854,4.709272440694437,4.04,1.1898291339161913,1.1874290273275998,1.1893185479967499,1.1910027681593462,1.1883209481302568,1.1891816314862151,1.1889310302327243,1.1884790695536553,1.188959447342855,1.1892724406944362,4.42,7.270170866083809,7.2725709726724,7.2706814520032506,7.268997231840654,7.271679051869744,7.270818368513786,7.271068969767277,7.2715209304463455,7.271040552657146,7.270727559305564,second
+277,13.71,95,5.148909912555856e+16,3.81,1.3376291891386096,63.5,Linear,Base,1,0.06261250141020493,0.05356652944094929,8.91,8.609031707001233,8.334776440893787,8.084813334812894,7.856938449592497,7.649309040423428,7.4601949489679615,7.28796747644288,7.131099383619469,6.988164890823525,6.857839677935348,2.05,2.05,2.05,2.05,2.05,2.05,2.05,2.05,2.05,2.05,2.05,3.06,3.360968292998767,3.6352235591062136,3.885186665187105,4.113061550407502,4.320690959576571,4.509805051032037,4.68203252355712,4.83890061638053,4.981835109176474,5.112160322064652,first
+272,4.68,99,3.460341423039912e+17,3.94,1.3711807233098425,82.6,Branched,Base,1,0.033617053752385315,0.02182306676477814,7.48,4.421779190473547,3.6600231429526446,3.309455914096038,3.1137344003600615,2.995514563339485,2.919617561898022,2.8704539095842176,2.836820871762637,2.8142809236102235,2.799034417522171,2.83,1.3008895952367734,0.9200115714763222,0.7447279570480186,0.6468672001800306,0.5877572816697423,0.5498087809490108,0.5252269547921087,0.5084104358813184,0.4971404618051115,0.48951720876108523,3.2,4.729110404763227,5.109988428523677,5.285272042951981,5.383132799819969,5.442242718330258,5.480191219050989,5.504773045207891,5.521589564118682,5.532859538194889,5.540482791238915,third
+280,9.56,98,2.2897441012817344e+17,1.44,0.36464311358790924,31.0,Ring,None,1,0.11939953883017253,0.09067894025293106,5.09,1.6599670417050827,1.5452854547591268,1.5318292045328363,1.5301546706773663,1.5303259382789223,1.5297535468615613,1.530027309697301,1.530559594582517,1.529551009435116,1.5312928322097914,4.15,4.15,4.15,4.15,4.15,4.15,4.15,4.15,4.15,4.15,4.15,3.53,4.6733443194316395,4.7115715150802915,4.716056931822388,4.716615109774211,4.716558020573692,4.716748817712813,4.716657563434233,4.716480135139161,4.716816330188295,4.716235722596736,third
+280,3.46,95,5.435121418346165e+16,4.4,1.4816045409242156,106.5,Branched,Acid,1,0.10282578207691226,0.08804689327409142,2.76,2.8453616921766445,2.91863261834582,2.98153405690066,3.0357141291683187,3.0822843132094473,3.122144883710457,3.1561686338415544,3.1852008752567422,3.2100594380938188,3.231534670974376,3.91,3.91,3.91,3.91,3.91,3.91,3.91,3.91,3.91,3.91,3.91,4.53,4.444638307823356,4.37136738165418,4.30846594309934,4.254285870831681,4.207715686790553,4.167855116289544,4.133831366158446,4.104799124743257,4.079940561906182,4.0584653290256245,first
+275,10.67,99,1.5279550245165837e+17,1.78,0.5766133643039938,119.8,Branched,Base,1,0.023931008758698948,0.021489528683617205,7.88,2.9032431862167334,2.280228452207526,2.0415484985460237,1.9293538992167318,1.8707525112584384,1.839719785717454,1.8219299085991194,1.813014562391311,1.8074409989352747,1.8042699577360994,2.28,2.28,2.28,2.28,2.28,2.28,2.28,2.28,2.28,2.28,2.28,4.47,6.1289189379277556,6.3365905159308245,6.416150500484659,6.45354870026109,6.473082496247187,6.483426738094182,6.489356697133627,6.492328479202897,6.4941863336882415,6.4952433474213,third
+270,2.71,96,1.9228122630103677e+17,4.32,1.463255402256019,73.6,Unknown,Acid,0,0.05139840691746988,0.033010875993112955,2.92,1.7637196024345758,1.308281227921044,1.055272743683921,0.8908316209395812,0.7740061758180711,0.6867818383808697,0.617682660149023,0.5621991249749191,0.5167546334417314,0.47843477354227226,3.11,2.531859801217288,2.3041406139605223,2.1776363718419605,2.095415810469791,2.037003087909036,1.993390919190435,1.9588413300745116,1.9310995624874598,1.908377316720866,1.8892173867711364,3.2,3.778140198782712,4.005859386039478,4.132363628158039,4.214584189530209,4.2729969120909645,4.316609080809565,4.351158669925488,4.378900437512541,4.401622683279134,4.420782613228864,third
+280,3.26,95,4.419437080567362e+17,2.52,0.9242589015233319,171.5,Unknown,Base,0,0.8361028929641143,0.6315717528435206,8.56,4.385031275080541,2.245291273206237,1.1511629316042917,0.5905418143878164,0.30233421877266364,0.15502942434923533,0.07956105432144177,0.04073827884239796,0.020881522897932908,0.010718184135205618,3.17,3.17,3.17,3.17,3.17,3.17,3.17,3.17,3.17,3.17,3.17,2.86,7.03496872491946,9.174708726793764,10.26883706839571,10.829458185612184,11.117665781227338,11.264970575650766,11.34043894567856,11.379261721157604,11.39911847710207,11.409281815864796,first
+278,13.58,95,4.7395204961263514e+17,3.21,1.1662709371419244,97.3,Linear,Enzyme,1,0.6685329358980319,0.5814968347143799,4.22,1.5196448154595372,1.519582357083794,1.5197856102878096,1.5202678889669652,1.5222215677015658,1.5200971240152816,1.522477860369843,1.5189655120749697,1.5214594524857539,1.520882232989353,4.56,4.56,4.56,4.56,4.56,4.56,4.56,4.56,4.56,4.56,4.56,3.14,4.04011839484682,4.040139214305401,4.040071463237395,4.039910703677676,4.039259477432808,4.039967625328236,4.0391740465433825,4.040344829308341,4.03951351583808,4.03970592233688,third
+279,10.49,95,1.9658481599683e+17,1.2,0.1823215567939546,62.2,Linear,Enzyme,0,0.32130616561353037,0.21476849515126953,9.53,7.369840788023257,5.698798608498619,4.404404369403383,3.406808700697148,2.6375545644589153,2.0392153525069494,1.576162875480838,1.219757933956448,0.9442653000088225,0.7302320763762293,0.93,0.93,0.93,0.93,0.93,0.93,0.93,0.93,0.93,0.93,0.93,4.58,6.740159211976742,8.41120139150138,9.705595630596616,10.703191299302851,11.472445435541085,12.07078464749305,12.533837124519161,12.890242066043552,13.165734699991177,13.379767923623769,first
+271,3.69,97,1.2767580520890085e+17,3.11,1.1346227261911428,160.6,Branched,Base,0,0.02563903517673401,0.022242629915008333,7.13,2.651511643720954,1.9425018997032881,1.606872952952523,1.4001971768811194,1.2576622632139645,1.150375355888446,1.0674815156470705,1.000334870670291,0.9439004842345091,0.8960548891087888,2.63,2.63,2.63,2.63,2.63,2.63,2.63,2.63,2.63,2.63,2.63,2.48,3.972829452093015,4.209166033432237,4.321042349015825,4.38993427437296,4.437445912262012,4.473208214703852,4.5008394947843104,4.52322170977657,4.5420331719218305,4.5579817036304044,third
+272,13.96,90,2.7886587578811882e+17,4.25,1.4469189829363254,52.4,Linear,Acid,1,1.4496079191667646,1.065609488485412,1.4,0.6130123373283699,0.6136624747701027,0.6137389110986227,0.6133626601391055,0.6132067974182042,0.6142977000584326,0.613371134229988,0.613272107351123,0.613741798883098,0.6142954036258771,4.95,4.556506168664184,4.55683123738505,4.55686945554931,4.5566813300695514,4.5566033987090995,4.557148850029215,4.556685567114993,4.556636053675561,4.556870899441548,4.557147701812938,1.94,2.3334938313358147,2.333168762614948,2.333130544450688,2.3333186699304465,2.3333966012908967,2.3328511499707822,2.3333144328850053,2.3333639463244378,2.3331291005584505,2.332852298187061,third
+276,7.02,90,1.0876703983961507e+17,3.82,1.3402504226184837,124.2,Branched,Enzyme,1,1.0065777832789577,0.7300113800030189,3.6,1.9025416564087048,1.9038769408476606,1.9015764517739924,1.9040468334530736,1.9018783147433587,1.9035724775385319,1.902379120424617,1.9028209092320918,1.9029592640279462,1.903097001909621,1.66,0.8112708282043524,0.8119384704238303,0.8107882258869962,0.8120234167265368,0.8109391573716793,0.8117862387692659,0.8111895602123085,0.8114104546160459,0.8114796320139731,0.8115485009548105,3.2,4.048729171795649,4.04806152957617,4.0492117741130045,4.047976583273464,4.049060842628322,4.048213761230735,4.048810439787693,4.0485895453839555,4.048520367986029,4.048451499045191,third
+273,6.5,95,2.684161069969474e+17,0.59,-0.527632742082372,169.4,Linear,Base,0,0.17834572236485408,0.08917855112733741,2.11,1.3229339892197738,0.9624563699820523,0.7554754590125669,0.6220141538323908,0.5287246877023399,0.45931652208402873,0.4065493970860681,0.3645189065622052,0.330175557135886,0.3017495538732082,2.26,2.26,2.26,2.26,2.26,2.26,2.26,2.26,2.26,2.26,2.26,4.75,5.143533005390113,5.323771815008974,5.427262270493717,5.4939929230838045,5.540637656148831,5.575341738957986,5.601725301456966,5.622740546718898,5.639912221432057,5.654125223063397,second
+280,2.31,95,3.403140175070185e+17,0.7,-0.35667494393873245,124.1,Ring,Base,1,0.6438320749151379,0.5391801186553113,6.17,6.639477041025029,6.6476276225242765,6.648126456658973,6.648154348577084,6.648006370988166,6.64740461186993,6.647262159037117,6.648024670247027,6.648007079728215,6.647697445830324,0.02,0.48947704102502926,0.49762762252427645,0.49812645665897376,0.4981543485770849,0.49800637098816647,0.4974046118699296,0.49726215903711735,0.4980246702470276,0.4980070797282152,0.49769744583032344,4.43,3.96052295897497,3.952372377475723,3.9518735433410255,3.9518456514229143,3.9519936290118327,3.9525953881300695,3.9527378409628815,3.951975329752971,3.951992920271784,3.9523025541696755,second
+280,3.85,100,4.6905919405873485e+17,1.96,0.6729444732424258,112.4,Ring,Enzyme,1,0.1035917826318113,0.05696003530148754,4.28,3.162593589852216,2.553759995624931,2.1844842033987604,1.9440090072506413,1.783191344077688,1.6706163814395665,1.591230729867441,1.5349458701042877,1.4937110719213402,1.4636514145911645,4.57,3.452593589852216,2.843759995624931,2.4744842033987604,2.2340090072506413,2.073191344077688,1.9606163814395665,1.881230729867441,1.8249458701042878,1.7837110719213403,1.7536514145911646,1.29,2.407406410147784,3.0162400043750695,3.38551579660124,3.625990992749359,3.786808655922312,3.899383618560434,3.978769270132559,4.0350541298957125,4.07628892807866,4.106348585408836,second
+278,2.16,97,2.0434251366886477e+17,4.12,1.415853163361435,198.3,Branched,Enzyme,0,0.12132345915401574,0.07411943480990424,1.87,0.86835043917019,0.5815701377104644,0.4406054486312607,0.3563403547674674,0.29941895560645715,0.2588682966331265,0.22780798414041437,0.20360812671525674,0.1842970773727669,0.16828650349166546,3.52,3.019175219585095,2.875785068855232,2.8053027243156303,2.763170177383734,2.7347094778032286,2.7144341483165633,2.6989039920702074,2.686804063357629,2.677148538686384,2.669143251745833,2.16,2.6608247804149054,2.8042149311447684,2.8746972756843703,2.9168298226162666,2.945290522196772,2.9655658516834373,2.9810960079297932,2.9931959366423717,3.002851461313617,3.0108567482541675,third
+278,2.38,91,1.6581536445542275e+17,4.0,1.3862943611198906,164.6,Ring,Base,0,1.3201335578826376,1.032190357919553,5.26,1.831487660580272,0.6379429987764986,0.22210462082667792,0.07731438309566954,0.026911091757422262,0.009367038031044285,0.0032605964196416237,0.0011350624667283774,0.00039512422448156225,0.00013793260623237697,1.4,1.4,1.4,1.4,1.4,1.4,1.4,1.4,1.4,1.4,1.4,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,first
+279,13.51,96,3.521294456940458e+17,2.79,1.0260415958332743,194.8,Ring,Enzyme,0,0.3739760053268019,0.26576047654261836,9.01,8.710819195738559,8.411638391477117,8.112457587215674,7.813276782954233,7.514095978692792,7.21491517443135,6.9157343701699086,6.616553565908467,6.317372761647025,6.018191957385584,3.07,3.07,3.07,3.07,3.07,3.07,3.07,3.07,3.07,3.07,3.07,1.65,1.9491808042614414,2.248361608522883,2.547542412784325,2.846723217045766,3.145904021307208,3.4450848255686495,3.7442656298300907,4.043446434091532,4.342627238352973,4.641808042614414,zero
+274,6.46,94,2.648304819799436e+17,2.61,0.959350221334602,138.8,Linear,None,0,0.31798582507084333,0.25391898905593574,9.46,9.205611339943326,8.951222679886651,8.696834019829977,8.442445359773302,8.188056699716627,7.933668039659952,7.679279379603277,7.424890719546602,7.170502059489927,6.916113399433252,2.04,2.04,2.04,2.04,2.04,2.04,2.04,2.04,2.04,2.04,2.04,2.14,2.394388660056675,2.64877732011335,2.9031659801700243,3.157554640226699,3.4119433002833737,3.666331960340049,3.9207206203967235,4.175109280453398,4.429497940510073,4.6838866005667485,zero
+279,2.37,97,1.22651884069364e+17,4.94,1.5973653311998313,61.3,Linear,None,0,0.0846423914622278,0.07026819002378872,9.9,6.042200996428219,5.894918866395415,5.881430521239583,5.8801378139807765,5.880013398254903,5.880001075221427,5.8799998555186,5.880000393050397,5.879999166985927,5.880001143897632,2.01,0.08110049821410943,0.007459433197707621,0.0007152606197915903,6.890699038771008e-05,6.699127451330898e-06,5.376107137451952e-07,-7.224070025479896e-08,1.9652519791142584e-07,-4.1650703687538236e-07,5.719488158467915e-07,2.28,4.20889950178589,4.282540566802291,4.289284739380208,4.289931093009612,4.289993300872548,4.289999462389286,4.2900000722407,4.289999803474802,4.290000416507037,4.289999428051184,third
+276,11.44,93,3.26565952446192e+17,3.78,1.3297240096314962,174.4,Linear,None,1,0.8175844121573469,0.46087462469493395,8.77,7.049665706950506,7.041686304500516,7.041885714424914,7.041246715810277,7.042348444832528,7.0416593847203695,7.0416030339901985,7.041769181810262,7.0415112916954055,7.041840194508854,2.07,0.3496657069505068,0.3416863045005165,0.3418857144249148,0.34124671581027866,0.3423484448325296,0.34165938472037205,0.34160303399020026,0.3417691818102649,0.34151129169540756,0.3418401945088557,2.54,4.2603342930494925,4.268313695499483,4.268114285575085,4.268753284189722,4.267651555167471,4.268340615279629,4.2683969660098,4.268230818189736,4.268488708304593,4.268159805491145,second
+276,4.19,91,4.536767191557544e+17,4.81,1.5706970841176697,107.4,Linear,Base,1,2.715399587517889,1.667014582781911,3.22,1.7359350173661072,1.7372195769413645,1.7382292280015925,1.736838582886643,1.7367039305202778,1.7373008204945222,1.7377160595035652,1.7371364603406398,1.7374144391383177,1.736622751573924,3.71,2.225935017366107,2.2272195769413647,2.2282292280015925,2.226838582886643,2.226703930520278,2.2273008204945226,2.2277160595035657,2.2271364603406405,2.2274144391383186,2.2266227515739248,4.81,6.294064982633892,6.292780423058635,6.291770771998407,6.293161417113357,6.293296069479722,6.292699179505478,6.292283940496435,6.29286353965936,6.292585560861682,6.293377248426075,second
+277,2.34,100,2.6226518391507683e+17,3.98,1.3812818192963463,117.9,Linear,Base,0,0.036373811418860466,0.026374713558584527,3.99,2.089763869939636,1.477019353821749,1.1596893866777351,0.9614897084180203,0.8238400462643322,0.722477578602858,0.645071857450897,0.5827685311503981,0.5318559570142246,0.4894512354499665,4.54,3.589881934969818,3.2835096769108745,3.124844693338867,3.0257448542090097,2.9569200231321657,2.9062387893014288,2.8675359287254483,2.836384265575199,2.810927978507112,2.7897256177249834,4.3,5.250118065030183,5.556490323089126,5.715155306661132,5.81425514579099,5.883079976867834,5.933761210698571,5.972464071274552,6.003615734424801,6.029072021492888,6.050274382275017,third
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+274,9.99,94,3.708943824884416e+17,3.26,1.1817271953786161,120.8,Ring,Enzyme,0,0.4453382984767589,0.3433037837525449,8.93,6.253229760478344,4.379033807965681,3.0632021736151955,2.147765507332109,1.5054887532582661,1.0534600187894614,0.7388872597107381,0.5174041755928582,0.36227198285143986,0.2540592987421476,3.18,3.18,3.18,3.18,3.18,3.18,3.18,3.18,3.18,3.18,3.18,3.28,3.28,3.28,3.28,3.28,3.28,3.28,3.28,3.28,3.28,3.28,first
+275,4.34,99,2.927385862306986e+17,2.11,0.7466879474879751,173.0,Linear,Base,0,0.04584905680265303,0.03543116777799249,4.29,4.253320754557877,4.216641509115755,4.179962263673633,4.14328301823151,4.106603772789388,4.069924527347265,4.033245281905143,3.99656603646302,3.9598867910208977,3.923207545578775,1.66,1.66,1.66,1.66,1.66,1.66,1.66,1.66,1.66,1.66,1.66,2.27,2.3066792454421226,2.343358490884245,2.3800377363263676,2.4167169817684897,2.4533962272106122,2.4900754726527348,2.5267547180948573,2.5634339635369794,2.600113208979102,2.6367924544212245,zero
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+274,9.75,92,1.3576019080801962e+17,3.31,1.1969481893889715,93.4,Ring,Enzyme,1,0.3921938187991387,0.2262114281989336,1.28,1.5902786562345066,1.6268129863817076,1.6307301929191895,1.6315294246327956,1.6321894200548723,1.6305580980410317,1.6320550788769066,1.6306505231106312,1.6307054615648957,1.6312033379405781,1.01,1.01,1.01,1.01,1.01,1.01,1.01,1.01,1.01,1.01,1.01,4.79,4.6348606718827465,4.616593506809146,4.614634903540406,4.614235287683602,4.613905289972563,4.614720950979484,4.613972460561547,4.614674738444684,4.614647269217552,4.61439833102971,second
+280,12.09,91,4.563692299367768e+16,3.47,1.244154593958768,33.7,Branched,Enzyme,0,0.4813325367407843,0.3645685706158067,1.12,0.7349339706073725,0.349867941214745,-0.035198088177882614,-0.4202641175705101,-0.8053301469631375,-1.190396176355765,-1.5754622057483925,-1.9605282351410194,-2.3455942645336467,-2.7306602939262747,2.89,2.89,2.89,2.89,2.89,2.89,2.89,2.89,2.89,2.89,2.89,4.59,4.975066029392628,5.360132058785255,5.745198088177882,6.13026411757051,6.515330146963137,6.900396176355764,7.285462205748392,7.670528235141019,8.055594264533646,8.440660293926275,zero
+276,3.23,91,1.8623436265562237e+17,2.83,1.0402767116551463,85.8,Linear,Acid,1,1.1146719463096781,0.9059265767259912,6.61,1.528698642400237,1.528668549054942,1.5276524614729896,1.5267254495717109,1.5265419230334198,1.5274050150409324,1.52878339065457,1.5286289065682528,1.5271805819957156,1.5277066650101905,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,2.69,4.383767119199921,4.3837771503150185,4.3841158461756695,4.384424850142761,4.384486025655524,4.384198328319687,4.383738869781806,4.383790364477246,4.384273139334758,4.384097778329933,third
+270,9.47,94,3.2711951510952915e+17,1.43,0.3576744442718159,131.9,Linear,Acid,0,0.2131358291086699,0.14711487859686642,1.11,0.9359916623898349,0.7891996666973258,0.6653405401338985,0.5610278831831323,0.47321151988526994,0.39914885109684234,0.33655971373929805,0.2837859587061196,0.239316774269761,0.20181891534718338,4.89,4.89,4.89,4.89,4.89,4.89,4.89,4.89,4.89,4.89,4.89,0.12,0.2940083376101652,0.44080033330267426,0.5646594598661016,0.6689721168168677,0.7567884801147302,0.8308511489031578,0.8934402862607022,0.9462140412938805,0.9906832257302391,1.0281810846528168,first
+278,13.19,96,4.212809859509162e+17,4.27,1.451613827240533,167.1,Linear,None,1,0.3855308055824522,0.3409226880196269,3.88,2.1084822252134874,1.7487238417289517,1.6475333779045132,1.6165201777994473,1.606733409473135,1.6039696750321035,1.6027846867754414,1.602702656399071,1.6024582532258953,1.6024968126389783,3.54,1.7684822252134875,1.4087238417289516,1.307533377904513,1.2765201777994473,1.2667334094731348,1.2639696750321034,1.2627846867754413,1.2627026563990709,1.2624582532258952,1.2624968126389782,0.01,1.7815177747865125,2.1412761582710487,2.242466622095487,2.2734798222005526,2.283266590526865,2.2860303249678964,2.2872153132245585,2.2872973436009287,2.2875417467741044,2.2875031873610214,second
+276,13.79,90,3.257994769993939e+17,1.78,0.5766133643039938,158.9,Unknown,Base,0,3.0150909304424287,2.4007720368229806,2.89,0.19416867335901333,0.1003694165921486,0.06769927557945175,0.05109972955559496,0.04103226564113372,0.0342694626906719,0.02941314983254554,0.025795866454007717,0.022943267820518854,0.020657078837397154,1.93,1.93,1.93,1.93,1.93,1.93,1.93,1.93,1.93,1.93,1.93,0.9,2.2479156633204935,2.2948152917039257,2.311150362210274,2.319450135222202,2.3244838671794326,2.3278652686546635,2.3302934250837266,2.332102066772996,2.33352836608974,2.334671460581301,second
+272,4.79,92,4.255890959280593e+17,2.6,0.9555114450274363,174.0,Branched,Enzyme,0,0.9135946847748687,0.6711965814172675,9.03,4.342574486024925,2.095186647411393,1.0105055705017143,0.48676392965668003,0.23431939934179838,0.11294427934549407,0.054476517799941365,0.02624135489942178,0.01263194593820001,0.006093987240547865,2.45,2.45,2.45,2.45,2.45,2.45,2.45,2.45,2.45,2.45,2.45,0.18,0.18,0.18,0.18,0.18,0.18,0.18,0.18,0.18,0.18,0.18,first
+276,4.81,90,1.515499507675762e+17,3.86,1.3506671834767394,142.2,Branched,None,0,1.4025095628657671,1.1330578854111253,2.02,0.6587412665251171,0.21471365671588336,0.0699561642472278,0.0227940153346021,0.007429932983249096,0.002423086347092609,0.0007905353768777588,0.0002579829598736958,8.422030862578636e-05,2.7504236630109028e-05,4.89,4.89,4.89,4.89,4.89,4.89,4.89,4.89,4.89,4.89,4.89,3.2,3.2,3.2,3.2,3.2,3.2,3.2,3.2,3.2,3.2,3.2,first
+274,13.7,98,2.456366081705949e+17,2.4,0.8754687373538999,97.2,Ring,Base,1,0.05095136830127391,0.04342280643149408,4.76,1.9447388899443625,1.5327091445093335,1.3726867019342155,1.2964915683692513,1.255992307920312,1.2349142391160635,1.2225865199130332,1.2158846255200428,1.2124605299666489,1.21016797218163,1.46,1.46,1.46,1.46,1.46,1.46,1.46,1.46,1.46,1.46,1.46,0.88,1.8184203700185457,1.9557636184968887,2.0091044326885945,2.0345028105435827,2.0480025640265622,2.0550285869613116,2.0591378266956553,2.0613717914933187,2.0625131566777837,2.063277342606123,third
+276,8.64,91,3.8543785719193197e+17,3.66,1.297463147413275,118.0,Linear,Acid,1,2.3069682755165375,1.2778963763829319,3.49,2.3742157971842968,2.3724577892698426,2.372329383801115,2.372057947612463,2.372289066174894,2.3724564609440804,2.372768111506678,2.3726884213132546,2.372433566696011,2.372433745531269,1.5,0.384215797184297,0.3824577892698427,0.38232938380111525,0.3820579476124628,0.38228906617489383,0.38245646094408065,0.382768111506678,0.38268842131325453,0.38243356669601114,0.3824337455312692,0.52,1.6357842028157032,1.6375422107301576,1.6376706161988852,1.6379420523875379,1.6377109338251068,1.6375435390559199,1.6372318884933226,1.6373115786867463,1.6375664333039897,1.6375662544687317,second
+278,10.89,93,2.24316390371382e+17,1.45,0.371563556432483,114.4,Ring,None,1,0.7517124783756632,0.5825539287065238,9.95,5.981941901764211,5.9818168105413925,5.981801449218926,5.981900761864761,5.981977126594819,5.9820237817102315,5.982175243575759,5.982117663180892,5.9822457085245375,5.982286557574834,2.09,0.10597095088210523,0.10590840527069657,0.10590072460946369,0.10595038093238092,0.10598856329741022,0.1060118908551166,0.10608762178788085,0.1060588315904469,0.10612285426226883,0.10614327878741696,2.91,4.894029049117894,4.894091594729303,4.894099275390536,4.894049619067618,4.894011436702588,4.893988109144882,4.893912378212118,4.893941168409553,4.893877145737731,4.893856721212584,third
+272,1.96,91,4.614049028963193e+17,1.79,0.5822156198526637,89.6,Linear,None,0,1.5413147357229628,0.8316893815175019,3.6,1.0506893466253864,0.3062451068759686,0.08932504363655423,0.02609129409831358,0.007613899470285901,0.0022192335730475774,0.0006473283698529901,0.00018906529813778438,5.526097090060412e-05,1.6207829970626578e-05,4.17,4.17,4.17,4.17,4.17,4.17,4.17,4.17,4.17,4.17,4.17,3.34,3.34,3.34,3.34,3.34,3.34,3.34,3.34,3.34,3.34,3.34,first
+279,5.56,91,4.745867707193332e+16,1.81,0.5933268452777344,32.1,Unknown,Enzyme,0,0.43510642082802115,0.2919087499372354,6.3,4.447853229383059,3.140360955578871,2.214796474807635,1.5654034988779215,1.1065665688795945,0.7806096420627703,0.5518666801359957,0.38982100431903777,0.2751736194281208,0.19445634212183965,4.7,4.7,4.7,4.7,4.7,4.7,4.7,4.7,4.7,4.7,4.7,1.31,1.31,1.31,1.31,1.31,1.31,1.31,1.31,1.31,1.31,1.31,first
+279,1.71,92,4.481668634116154e+17,1.99,0.688134638736401,53.7,Ring,Acid,1,2.6698810504883026,2.201671592461764,7.31,4.503261331536667,4.5031484766482395,4.503377543146083,4.503454911905291,4.503469221361653,4.503292199214395,4.50352308517003,4.503427760811372,4.5033506259178555,4.503265914411306,1.53,0.12663066576833287,0.12657423832411843,0.12668877157304015,0.1267274559526441,0.12673461068082495,0.12664609960719608,0.12676154258501368,0.1267138804056844,0.1266753129589259,0.126632957205651,1.71,3.1133693342316664,3.11342576167588,3.113311228426958,3.113272544047354,3.113265389319173,3.113353900392802,3.113238457414985,3.1132861195943136,3.113324687041072,3.113367042794347,third
+279,1.29,91,2.0894132474620627e+17,0.87,-0.13926206733350766,93.4,Branched,Acid,0,1.9155972644494867,1.223542436083161,1.26,0.13394098868758464,0.02548517358388727,0.0052494910345392744,0.0010953102729153157,0.0002302726982126701,4.815011877979222e-05,1.0013514801891607e-05,2.0918902276143666e-06,6.402425103683868e-07,1.4225996307844142e-07,2.28,1.1539409886875849,1.0454851735838875,1.0252494910345396,1.0210953102729154,1.020230272698213,1.0200481501187801,1.0200100135148022,1.020002091890228,1.0200006402425108,1.0200001422599634,0.51,1.6360590113124152,1.7445148264161126,1.7647505089654605,1.7689046897270846,1.769769727301787,1.76995184988122,1.7699899864851978,1.769997908109772,1.7699993597574892,1.7699998577400367,second
+273,12.01,100,4.708106336409479e+17,3.87,1.3532545070416904,102.4,Ring,Enzyme,1,0.034561091222109486,0.02528220486808981,3.47,3.00772634271285,2.684227830176134,2.447811421481998,2.272595221768429,2.1406699277813876,2.0369482925849947,1.9551976125890087,1.891259827617113,1.8409568787944228,1.8004183940311629,3.42,3.42,3.42,3.42,3.42,3.42,3.42,3.42,3.42,3.42,3.42,2.69,2.921136828643575,3.0828860849119333,3.201094289259001,3.288702389115785,3.354665036109306,3.4065258537075027,3.4474011937054954,3.479370086191443,3.5045215606027886,3.524790802984419,second
+274,11.02,90,4.046586917307248e+17,1.13,0.12221763272424911,98.6,Ring,None,0,2.812585239026319,2.489994637266641,9.23,6.979931808778943,4.729863617557889,2.479795426336833,0.22972723511577708,-2.0203409561052785,-4.270409147326338,-6.520477338547395,-8.770545529768455,-11.020613720989516,-13.270681912210577,4.44,4.44,4.44,4.44,4.44,4.44,4.44,4.44,4.44,4.44,4.44,1.26,3.5100681912210567,5.760136382442111,8.010204573663167,10.260272764884222,12.510340956105278,14.760409147326337,17.010477338547396,19.260545529768454,21.510613720989518,23.76068191221058,zero
+272,2.18,94,2.7631212149766584e+16,3.59,1.2781522025001875,58.1,Unknown,None,0,0.024494631039761076,0.021596935423413496,5.88,4.778765201662602,4.024601133918435,3.4762728948496884,3.0626120711982154,2.7344519356588703,2.4694061899291393,2.252615722092459,2.0714115980495933,1.91611731291163,1.7822772527288413,1.28,1.28,1.28,1.28,1.28,1.28,1.28,1.28,1.28,1.28,1.28,1.03,1.5806173991686987,1.9576994330407822,2.2318635525751556,2.438693964400892,2.602774032170564,2.7352969050354297,2.8436921389537697,2.9342942009752027,3.0119413435441844,3.0788613736355788,second
+276,6.24,99,3.6275086208950125e+17,3.13,1.1410330045520618,112.7,Branched,None,0,0.06646507327640552,0.04760141705340429,7.35,7.296827941378876,7.243655882757751,7.190483824136627,7.137311765515502,7.084139706894378,7.030967648273253,6.977795589652128,6.9246235310310045,6.87145147240988,6.818279413788756,4.45,4.45,4.45,4.45,4.45,4.45,4.45,4.45,4.45,4.45,4.45,0.14,0.19317205862112444,0.24634411724224886,0.2995161758633733,0.3526882344844977,0.4058602931056221,0.45903235172674656,0.512204410347871,0.5653764689689954,0.6185485275901198,0.6717205862112443,zero
+274,3.4,95,6.993563913745801e+16,1.25,0.22314355131420976,131.8,Branched,Enzyme,0,0.0541369868894788,0.03697166620539297,5.77,3.854114814071428,2.8977494213477564,2.318776993495967,1.9303076889390143,1.6563179375579518,1.4486403056946937,1.2870158378672711,1.1590267259226976,1.0541098841965297,0.9659158610681465,4.19,4.19,4.19,4.19,4.19,4.19,4.19,4.19,4.19,4.19,4.19,3.53,4.487942592964285,4.966125289326121,5.255611503252017,5.4498461555304925,5.586841031221025,5.690679847152653,5.771492081066365,5.835486637038652,5.887945057901735,5.932042069465927,second
+272,9.22,99,8.645419398840328e+16,2.87,1.0543120297715298,39.1,Ring,Acid,0,0.008398984178486306,0.00434380612108242,7.55,6.854535958326215,6.276315580072726,5.786613390420121,5.368502047608457,5.0089433887381505,4.696304092780297,4.4203556805766615,4.1729466461887545,3.951365455017958,3.752128765484395,1.7,1.7,1.7,1.7,1.7,1.7,1.7,1.7,1.7,1.7,1.7,1.12,1.4677320208368922,1.7568422099636365,2.001693304789939,2.2107489761957715,2.3905283056309243,2.5468479536098516,2.684822159711669,2.8085266769056227,2.919317272491021,3.0189356172578026,second
+275,11.82,99,5.750331468355318e+16,3.15,1.1474024528375417,174.1,Linear,Acid,0,0.009006235820204912,0.006772454014470321,8.52,8.34553458098222,8.184505972045006,8.035481136603304,7.897342125720519,7.769086183886652,7.649794047373958,7.538629944236947,7.434841594312383,7.337760209219283,7.246800492358921,2.96,2.7855345809822203,2.6245059720450064,2.475481136603305,2.33734212572052,2.2090861838866527,2.0897940473739585,1.9786299442369473,1.8748415943123833,1.777760209219284,1.6868004923589213,0.24,0.4144654190177798,0.5754940279549938,0.7245188633966952,0.8626578742794802,0.9909138161133475,1.1102059526260417,1.2213700557630527,1.325158405687617,1.422239790780716,1.5131995076410787,second
+274,12.94,90,3.9978087258799443e+17,4.31,1.4609379041156563,30.0,Linear,Enzyme,0,2.77868189677805,2.4518002193917563,3.0,0.20992950507189762,0.10877951824816917,0.07341042083203832,0.05544265010819179,0.0444682858273808,0.03719121383685085,0.031901626176454166,0.027958434527390785,0.02489735176509659,0.02241625927629718,4.18,4.18,4.18,4.18,4.18,4.18,4.18,4.18,4.18,4.18,4.18,4.42,5.815035247464052,5.865610240875917,5.8832947895839816,5.892278674945905,5.89776585708631,5.901404393081576,5.904049186911774,5.906020782736306,5.907551324117453,5.908791870361852,second
+273,13.28,100,1.1197656735852384e+17,3.06,1.1184149159642893,137.6,Branched,Acid,0,0.008219934051379166,0.006906997244957921,5.91,5.903424052758897,5.896848105517794,5.89027215827669,5.883696211035587,5.877120263794484,5.870544316553381,5.8639683693122775,5.857392422071174,5.85081647483007,5.844240527588967,3.15,3.15,3.15,3.15,3.15,3.15,3.15,3.15,3.15,3.15,3.15,1.04,1.0465759472411034,1.0531518944822067,1.05972784172331,1.0663037889644134,1.0728797362055167,1.07945568344662,1.0860316306877233,1.0926075779288267,1.09918352516993,1.1057594724110333,zero
+276,6.26,97,1.2474249982214587e+17,2.03,0.7080357930536959,106.1,Unknown,None,0,0.054641804424124966,0.03302015494230653,1.97,1.680507896329703,1.4653561491985085,1.2983202238141605,1.1659447188401613,1.0595576696226794,0.9713119978940293,0.8953760510920749,0.8303724479803503,0.774208073491615,0.7251451556316566,2.29,2.29,2.29,2.29,2.29,2.29,2.29,2.29,2.29,2.29,2.29,4.55,4.694746051835149,4.802321925400746,4.88583988809292,4.952027640579919,5.00522116518866,5.049344001052985,5.0873119744539625,5.119813776009825,5.147895963254192,5.172427422184172,second
+273,10.15,92,1.0939607640368098e+17,1.92,0.6523251860396901,35.5,Unknown,Base,0,0.2725735022431787,0.1584454523707549,1.66,1.334762624366314,1.0732612347183463,0.8624748894006528,0.6930162047747853,0.5574748461972435,0.44896484170856965,0.36123460429866366,0.2904185337552231,0.23354135202501733,0.18782416473665278,4.13,4.13,4.13,4.13,4.13,4.13,4.13,4.13,4.13,4.13,4.13,4.91,4.91,4.91,4.91,4.91,4.91,4.91,4.91,4.91,4.91,4.91,first
+277,5.29,90,2.3864946267084835e+17,4.52,1.5085119938441398,27.9,Linear,None,0,2.544507958539661,2.183476932863485,7.61,5.574393633168272,3.5387872663365436,1.5031808995048141,-0.5324254673269149,-2.568031834158644,-4.603638200990373,-6.6392445678221,-8.674850934653827,-10.710457301485553,-12.746063668317278,2.47,2.47,2.47,2.47,2.47,2.47,2.47,2.47,2.47,2.47,2.47,4.6,6.635606366831728,8.671212733663456,10.706819100495185,12.742425467326914,14.778031834158643,16.813638200990372,18.849244567822097,20.884850934653826,22.920457301485552,24.956063668317277,zero
+279,10.44,98,2.7586208135445526e+17,3.2,1.1631508098056809,95.4,Linear,Acid,1,0.12370236884561732,0.07785660318645797,6.7,3.2585366372910283,2.484103398073429,2.2190333744755635,2.115482915991361,2.073710568358805,2.056843739806042,2.0491107418258676,2.0463504945352984,2.0452146151153974,2.0445039843824655,0.34,0.34,0.34,0.34,0.34,0.34,0.34,0.34,0.34,0.34,0.34,4.31,6.030731681354485,6.4179483009632845,6.550483312762217,6.602258542004319,6.623144715820597,6.631578130096979,6.635444629087066,6.63682475273235,6.637392692442301,6.637748007808766,second
+272,11.46,97,8.07792436288377e+16,0.94,-0.06187540371808753,63.3,Unknown,Base,0,0.01900345585930064,0.015715496876600253,3.5,3.4471927486521583,3.3951822419517805,3.343956458768852,3.2935035550137672,3.2438118705887313,3.1948699279622748,3.14666641656281,3.0991901926069723,3.0524302790996156,3.0063758658338173,1.48,1.48,1.48,1.48,1.48,1.48,1.48,1.48,1.48,1.48,1.48,3.27,3.3228072513478417,3.3748177580482195,3.426043541231148,3.476496444986233,3.5261881294112687,3.5751300720377253,3.62333358343719,3.6708098073930278,3.717569720900384,3.7636241341661827,first
+272,6.28,98,1.4732410645454182e+17,2.3,0.8329091229351039,61.8,Linear,Enzyme,0,0.022272069144116675,0.017694752786691487,8.03,6.243721401196977,5.1065510235382225,4.322842844171429,3.7468870028240717,3.305000166346453,2.958900631700425,2.6781809674316976,2.4447886464102946,2.2489516201257675,2.0821467313765716,1.9,1.9,1.9,1.9,1.9,1.9,1.9,1.9,1.9,1.9,1.9,0.88,1.7731392994015112,2.3417244882308883,2.733578577914285,3.0215564985879637,3.242499916826773,3.415549684149787,3.5559095162841508,3.6726056767948525,3.770524189937116,3.853926634311714,second
+275,10.09,92,3.786125818289903e+17,0.55,-0.5978370007556204,91.2,Branched,None,0,1.2667838466293733,0.8033728573434962,9.15,8.1365729226965,7.123145845393003,6.109718768089504,5.096291690786005,4.082864613482506,3.0694375361790067,2.0560104588755053,1.0425833815720056,0.029156304268505018,-0.9842707730349964,3.14,3.14,3.14,3.14,3.14,3.14,3.14,3.14,3.14,3.14,3.14,0.87,1.8834270773034993,2.8968541546069972,3.9102812319104965,4.923708309213995,5.937135386517493,6.950562463820994,7.963989541124494,8.977416618427995,9.990843695731495,11.004270773034996,zero
+275,10.45,99,1.472318955245232e+17,2.32,0.8415671856782185,145.5,Linear,Base,1,0.023059630190829426,0.01993314462301501,5.19,5.112500133597722,5.037620499531831,4.965272396480616,4.895369983035963,4.82783100885093,4.762575799826866,4.6995271466174575,4.638610304628733,4.5797529940190564,4.522885399699132,0.43,0.43,0.43,0.43,0.43,0.43,0.43,0.43,0.43,0.43,0.43,1.06,1.137499866402278,1.2123795004681688,1.284727603519384,1.3546300169640362,1.4221689911490696,1.4874242001731341,1.5504728533825423,1.6113896953712668,1.6702470059809431,1.7271146003008682,first
+273,7.0,92,4.2567548757392e+17,4.79,1.5665304114228238,78.5,Branched,None,1,1.0606217542843426,0.6925588055175409,3.16,1.1101666194473312,1.1091250444232064,1.1108914513733164,1.1091877194713824,1.110889364445509,1.109074318211621,1.1108318382272617,1.1089299300679558,1.1107738216799385,1.1100448188106353,2.82,1.7950833097236656,1.7945625222116033,1.7954457256866583,1.7945938597356914,1.7954446822227546,1.7945371591058106,1.7954159191136307,1.794464965033978,1.7953869108399694,1.7950224094053178,2.36,3.384916690276335,3.3854374777883978,3.3845542743133428,3.3854061402643096,3.3845553177772465,3.3854628408941907,3.38458408088637,3.3855350349660234,3.384613089160032,3.3849775905946835,third
+277,2.5,93,3.642004656310757e+17,3.24,1.1755733298042381,21.3,Linear,Enzyme,1,1.0554685437116478,0.8827317501633276,7.48,3.6546383140547176,3.631255491751072,3.631038970848071,3.631989404547073,3.6315989914323312,3.6312289892286027,3.6312305424578195,3.6307182113027516,3.6315529395888735,3.631364646369318,4.8,0.9746383140547175,0.9512554917510717,0.9510389708480707,0.9519894045470729,0.9515989914323311,0.9512289892286026,0.9512305424578189,0.950718211302751,0.9515529395888729,0.9513646463693175,0.28,4.105361685945282,4.128744508248928,4.128961029151928,4.128010595452926,4.128401008567667,4.128771010771396,4.12876945754218,4.129281788697248,4.128447060411125,4.12863535363068,second
+272,9.53,97,3.961298154839518e+17,1.5,0.4054651081081644,39.5,Linear,Acid,0,0.09319021972638022,0.07875411152316657,3.18,2.9515456757699203,2.7395039032748834,2.5426778984651466,2.359964755023638,2.19038669923068,2.033018465255535,1.886985320466739,1.751463065432103,1.625678033918713,1.5089070928929293,3.6,3.6,3.6,3.6,3.6,3.6,3.6,3.6,3.6,3.6,3.6,2.33,2.5584543242300795,2.770496096725117,2.9673221015348537,3.1500352449763622,3.31961330076932,3.476981534744465,3.623014679533261,3.758536934567897,3.8843219660812873,4.001092907107071,first
+272,13.82,92,2.4642126817234403e+17,4.61,1.5282278570085572,26.1,Ring,None,0,0.5289824456775823,0.47100439979628156,5.43,3.556047349989652,2.329080111627933,1.5240007052985463,1.0003976700488537,0.6546466728869547,0.4293084787240413,0.28119743828706745,0.18420505005713658,0.12081954655385119,0.07913460231880681,2.43,2.43,2.43,2.43,2.43,2.43,2.43,2.43,2.43,2.43,2.43,2.42,2.42,2.42,2.42,2.42,2.42,2.42,2.42,2.42,2.42,2.42,first
+280,3.41,96,2.0960795738614227e+17,0.97,-0.030459207484708574,80.8,Unknown,Acid,0,0.25807237182936277,0.15455486182994868,3.23,2.6274664439207394,2.1373522975761716,1.7377324422456668,1.4125576234384787,1.149279062489057,0.9361785278710151,0.7623731893229313,0.6201193620402721,0.5044549000134715,0.4103907996898239,0.32,0.32,0.32,0.32,0.32,0.32,0.32,0.32,0.32,0.32,0.32,0.51,0.51,0.51,0.51,0.51,0.51,0.51,0.51,0.51,0.51,0.51,first
+272,6.64,100,1.2103721285765802e+17,4.42,1.4861396960896067,167.6,Branched,Acid,1,0.0075563759644601165,0.005673396153414207,4.98,4.9536906287826685,4.9284650206926415,4.904271142366353,4.881059809281166,4.858784969130923,4.837403388202631,4.816873950025815,4.7971576519036825,4.778217604913125,4.760019033904713,1.28,1.2536906287826686,1.2284650206926409,1.204271142366353,1.181059809281166,1.1587849691309227,1.1374033882026302,1.1168739500258142,1.0971576519036823,1.0782176049131245,1.0600190339047124,2.57,2.5963093712173313,2.621534979307359,2.645728857633647,2.6689401907188337,2.691215030869077,2.7125966117973697,2.7331260499741856,2.7528423480963173,2.7717823950868756,2.7899809660952877,second
+280,9.98,93,4.451800583203137e+17,2.3,0.8329091229351039,81.6,Linear,Base,1,1.9885958092205498,1.6105229603243072,8.58,4.1189319529679045,3.868203454231436,3.8532641702951675,3.8520004193621618,3.8499881591970575,3.8589152567081233,3.854860231938034,3.8537117645442014,3.8527500096906135,3.8531212782704523,3.18,3.18,3.18,3.18,3.18,3.18,3.18,3.18,3.18,3.18,3.18,0.03,4.491068047032096,4.7417965457685645,4.756735829704834,4.757999580637839,4.760011840802944,4.751084743291878,4.755139768061967,4.756288235455799,4.757249990309387,4.7568787217295485,first
+274,3.63,90,9.09939472885346e+16,4.51,1.506297153514587,121.6,Unknown,Enzyme,1,0.6324545554424311,0.34744814559967335,7.25,1.4240191530818451,1.4228849277588462,1.422575116050587,1.4234994885437289,1.4248140560084968,1.4252680289347666,1.4244927749179808,1.423386921379359,1.422550902233517,1.424148162345886,4.74,4.74,4.74,4.74,4.74,4.74,4.74,4.74,4.74,4.74,4.74,3.31,5.251993615639385,5.252371690747053,5.252474961316473,5.252166837152092,5.25172864799717,5.251577323688413,5.251835741694009,5.252204359540216,5.25248303258883,5.251950612551374,third
+278,13.13,92,1.9719968308731552e+17,1.93,0.6575200029167941,72.3,Branched,Acid,1,1.0185870235921592,0.8992233461303568,5.62,1.767718482697883,1.769851215363581,1.7678153636270366,1.7665622144861317,1.7660460760165573,1.7662778912630803,1.7666080451822421,1.766842685136563,1.7672989106348616,1.767954094740106,4.3,4.3,4.3,4.3,4.3,4.3,4.3,4.3,4.3,4.3,4.3,4.97,6.2540938391007055,6.25338292821214,6.254061545457653,6.254479261837955,6.2546513079944805,6.25457403624564,6.254463984939253,6.2543857716211475,6.254233696455048,6.254015301753299,third
+279,2.05,95,1.0178722398805642e+17,1.59,0.4637340162321402,99.5,Branched,Enzyme,0,0.16636515125652096,0.14748006760117338,7.0,6.1276898976027105,5.364043244673972,4.694603962736,4.108368277797364,3.595885887238031,3.1482660893141494,2.757177783158053,2.4148494687782556,2.1142294240539816,1.8507637033385587,3.81,3.81,3.81,3.81,3.81,3.81,3.81,3.81,3.81,3.81,3.81,2.8,3.6723101023972893,4.4359567553260275,5.105396037264,5.691631722202635,6.204114112761969,6.65173391068585,7.042822216841946,7.385150531221744,7.685770575946019,7.949236296661441,first
+276,5.53,96,4.1663892307905504e+17,1.07,0.06765864847381486,119.2,Unknown,Enzyme,1,0.2821845338242992,0.1983305941253278,5.19,1.4842263254973735,1.4742245117472623,1.4751586027401205,1.47420625557874,1.4726224726424586,1.4758339069585724,1.4736218097589961,1.473894262723818,1.4769366867805211,1.4749214633487382,0.62,0.62,0.62,0.62,0.62,0.62,0.62,0.62,0.62,0.62,0.62,3.32,4.555257891500875,4.558591829417579,4.558280465753293,4.558597914807087,4.559125842452514,4.558055364347142,4.558792730080334,4.558701912425393,4.557687771073159,4.558359512217086,third
+273,5.71,100,4.4500884663364584e+16,0.74,-0.3011050927839216,83.5,Ring,Acid,0,0.003266704327430364,0.002750828222567668,3.75,3.4247095253551,3.1590363688157947,2.936333033957296,2.7465498924345377,2.5840933394365853,2.4437973739151047,2.320857987387077,2.2108331639347973,2.110291718351137,2.019264558859209,4.93,4.7673547626775505,4.634518184407898,4.523166516978648,4.428274946217269,4.347046669718293,4.276898686957552,4.215428993693538,4.160416581967398,4.110145859175569,4.064632279429604,2.01,2.17264523732245,2.3054818155921026,2.4168334830213514,2.5117250537827305,2.592953330281707,2.6631013130424472,2.7245710063064608,2.7795834180326007,2.8298541408244313,2.8753677205703956,third
+279,9.28,91,3.3043926578484915e+17,4.9,1.589235205116581,151.2,Linear,Enzyme,1,3.0295038780529557,2.5287451354323003,2.65,1.883592902269483,1.8845121281525081,1.8847913480251917,1.8838076246287376,1.882444730755904,1.8814638069025695,1.881136140027257,1.8813646727130287,1.8819842406648608,1.8825791397074831,2.26,2.26,2.26,2.26,2.26,2.26,2.26,2.26,2.26,2.26,2.26,3.86,4.2432035488652575,4.242743935923745,4.242604325987403,4.243096187685629,4.243777634622046,4.244268096548715,4.244431929986371,4.244317663643486,4.24400787966757,4.243710430146258,second
+279,6.36,92,2.9154153340420536e+16,1.13,0.12221763272424911,156.8,Branched,None,0,0.17368111723853447,0.1470422169773136,9.18,8.260058128717493,8.259999329475226,8.260001050234116,8.260000199512607,8.25999787539934,8.259999073357555,8.259999925926495,8.26000269409033,8.260001150782452,8.260000830761253,0.46,2.9064358747466302e-05,-3.3526238567605397e-07,5.251170592906892e-07,9.975630458780971e-08,-1.06230032790364e-06,-4.633212208226285e-07,-3.7036750506956137e-08,1.3470451665596623e-06,5.753912272230969e-07,4.1538062855030016e-07,4.48,4.939970935641254,4.940000335262387,4.939999474882942,4.939999900243697,4.94000106230033,4.940000463321223,4.940000037036753,4.939998652954835,4.939999424608774,4.939999584619374,third
+277,2.59,96,3.9690396145483514e+17,0.6,-0.5108256237659907,123.4,Ring,Base,1,0.3126451359644251,0.25593496790671855,2.88,1.0358533425932368,0.9788742472182034,0.9735994394453061,0.9730018334079263,0.9729259230192802,0.9734116613343189,0.9725134527087719,0.9737358717364866,0.9735724385194152,0.973330982342342,2.53,2.53,2.53,2.53,2.53,2.53,2.53,2.53,2.53,2.53,2.53,0.49,1.1047155524689212,1.123708584260599,1.1254668535182315,1.1256660555306912,1.1256913589935733,1.1255294462218937,1.125828849097076,1.1254213760878378,1.1254758538268617,1.1255563392192194,third
+277,3.72,97,1.6923198694446134e+17,4.27,1.451613827240533,172.3,Ring,Acid,0,0.0863513592352472,0.07646942225421266,9.73,9.080532153699862,8.474415741997769,7.908691535127321,7.380685442603066,6.887955732333166,6.428181836599663,5.999164352058472,5.598825039739382,5.225206825046062,4.876473797756048,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,3.05,3.6994678463001396,4.305584258002233,4.87130846487268,5.399314557396935,5.892044267666835,6.351818163400338,6.7808356479415295,7.181174960260619,7.554793174953939,7.903526202243953,first
+271,11.23,93,3.555339125508777e+17,3.14,1.144222799920162,29.4,Unknown,Base,0,0.421398463000692,0.24950718636086772,6.36,4.53986428982471,3.240012233805703,2.311451949824252,1.6520495897879308,1.1791353987689341,0.841396759621235,0.601555729738611,0.42921916860265097,0.30638894926873284,0.21900752782887023,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,3.35,5.17013571017529,6.469987766194298,7.398548050175749,8.05795041021207,8.530864601231068,8.868603240378766,9.10844427026139,9.280780831397351,9.40361105073127,9.490992472171131,first
+274,2.46,94,4.2302246436144474e+17,2.7,0.9932517730102834,105.7,Branched,Enzyme,0,0.5079292472218612,0.45187003910469314,2.33,0.7496359202150419,0.4987694377257441,0.3837516580255457,0.3153704711808556,0.26918570149671384,0.23569784023081364,0.21033605959306345,0.19003825671698346,0.17354379061143238,0.1598407414367287,1.69,0.8998179601075208,0.774384718862872,0.7168758290127727,0.6826852355904276,0.6595928507483567,0.6428489201154067,0.6301680297965316,0.6200191283584916,0.6117718953057161,0.6049203707183642,4.53,5.32018203989248,5.44561528113713,5.5031241709872285,5.537314764409574,5.560407149251645,5.577151079884596,5.589831970203471,5.5999808716415105,5.608228104694286,5.615079629281637,third
+277,3.07,91,3.941932341513935e+17,2.75,1.0116009116784799,70.5,Linear,Enzyme,1,2.7225320451999657,2.2554439074589254,7.77,1.3350665466439184,1.3364815564126964,1.337105026747722,1.3366735412430866,1.3356482088644135,1.3352571638360262,1.3357855355608783,1.3370035682551658,1.3370774303813968,1.3365149846233013,4.78,1.56253327332196,1.5632407782063484,1.563552513373861,1.563336770621543,1.5628241044322064,1.562628581918013,1.562892767780439,1.563501784127583,1.5635387151906979,1.5632574923116505,0.15,3.3674667266780407,3.3667592217936515,3.3664474866261394,3.3666632293784575,3.367175895567794,3.367371418081988,3.367107232219562,3.3664982158724186,3.3664612848093025,3.3667425076883504,third
+271,13.94,99,3.808527784475735e+17,1.89,0.636576829071551,145.3,Ring,Base,1,0.03148043898280395,0.01611698344027332,3.48,2.0835006547429797,1.6424892267179678,1.4118553550388653,1.269312877705801,1.171040466569875,1.101094272812437,1.0480709418858463,1.0071125161931354,0.9752449533514777,0.9498778461028654,0.53,0.53,0.53,0.53,0.53,0.53,0.53,0.53,0.53,0.53,0.53,0.24,0.7054997817523401,0.8525035910940109,0.9293815483203782,0.9768957074313996,1.0096531778100417,1.0329685757291875,1.0506430193713845,1.0642958279356216,1.0749183488828409,1.0833740512990448,third
+271,3.06,95,3.9765970833093414e+17,1.28,0.2468600779315258,146.5,Branched,Enzyme,0,0.19400551845380162,0.14472729858936462,2.93,2.5087805913895753,2.148121774444989,1.8388094717680257,1.573463798555126,1.3466659782120374,1.1532680666185169,0.9883763214508778,0.8473512021819871,0.7258791974337188,0.6215269594172812,1.97,1.97,1.97,1.97,1.97,1.97,1.97,1.97,1.97,1.97,1.97,4.22,4.22,4.22,4.22,4.22,4.22,4.22,4.22,4.22,4.22,4.22,first
+278,5.59,99,2.10128881100113e+17,1.57,0.45107561936021673,142.7,Unknown,Enzyme,0,0.05251331701509557,0.04674668800405596,8.03,7.987989346387923,7.945978692775846,7.90396803916377,7.861957385551694,7.819946731939617,7.77793607832754,7.7359254247154645,7.693914771103388,7.651904117491311,7.609893463879235,4.74,4.74,4.74,4.74,4.74,4.74,4.74,4.74,4.74,4.74,4.74,4.32,4.362010653612077,4.404021307224154,4.44603196083623,4.488042614448306,4.530053268060382,4.572063921672459,4.614074575284535,4.656085228896612,4.698095882508689,4.740106536120765,zero
+279,4.29,91,3.335563136314863e+17,4.41,1.4838746894587547,186.5,Ring,Enzyme,0,3.0580813188030276,2.6643237422076673,1.62,0.14054037701628233,0.012201870468862052,0.0010595076915622065,9.17975255023748e-05,8.019902875983698e-06,5.873429449382152e-07,-1.061611591227235e-07,-2.6330352781085624e-07,5.496348758449973e-07,1.992138681432796e-07,1.69,1.69,1.69,1.69,1.69,1.69,1.69,1.69,1.69,1.69,1.69,4.16,5.6394596229837175,5.767798129531138,5.778940492308438,5.779908202474499,5.779991980097125,5.779999412657056,5.780000106161159,5.780000263303529,5.779999450365125,5.779999800786133,first
+272,10.12,95,4.2134916577088045e+17,4.3,1.4586150226995167,122.8,Unknown,None,1,0.2400308425606907,0.15196038263851191,3.87,1.105549953061957,1.000490344969058,0.9847250860572677,0.9819051755041843,0.981325301988681,0.9816246916573409,0.9807405290810475,0.9820943921380662,0.9811809923485684,0.9818139135866717,0.45,0.45,0.45,0.45,0.45,0.45,0.45,0.45,0.45,0.45,0.45,0.53,1.4514833489793477,1.4865032183436475,1.4917583046475777,1.4926982748319388,1.4928915660037734,1.4927917694475534,1.493086490306318,1.492635202620645,1.4929396692171442,1.4927286954711099,third
+273,11.78,93,4.1074612171973523e+17,0.63,-0.4620354595965587,92.5,Unknown,Base,0,0.6587380833002698,0.44392701374953214,1.34,0.2964313722269077,0.17188537229748718,0.12155680378272296,0.09418031965586172,0.07702872434070042,0.06509772177414117,0.05642394727586913,0.049835591091658124,0.0445817527950327,0.04033459455950135,2.89,2.3682156861134542,2.305942686148744,2.2807784018913617,2.267090159827931,2.2585143621703505,2.252548860887071,2.2482119736379347,2.2449177955458293,2.2422908763975165,2.2401672972797506,4.59,5.111784313886546,5.1740573138512564,5.199221598108639,5.2129098401720695,5.22148563782965,5.22745113911293,5.231788026362066,5.235082204454171,5.2377091236024835,5.23983270272025,third
+272,7.65,90,1.8732280405823117e+17,3.33,1.2029723039923526,107.8,Linear,None,1,0.9737463195735522,0.5325245454596695,9.8,6.383762251203022,6.37703799519505,6.377912105987176,6.377219807539683,6.376636153783961,6.3778700909111965,6.377810724702653,6.377337582077828,6.3767963852806835,6.377288304768018,4.05,0.6337622512030203,0.6270379951950493,0.6279121059871741,0.6272198075396825,0.6266361537839601,0.6278700909111953,0.6278107247026513,0.6273375820778274,0.6267963852806826,0.6272883047680168,3.89,7.306237748796979,7.312962004804951,7.3120878940128256,7.312780192460318,7.31336384621604,7.312129909088805,7.3121892752973485,7.312662417922173,7.313203614719318,7.312711695231983,second
+279,11.95,92,4.678587008313816e+17,1.02,0.01980262729617973,125.3,Unknown,None,0,2.787191962714411,2.441293959145535,3.28,0.2729852598324841,0.19333275732341904,0.15793946126165911,0.13692802809630458,0.12239754828961281,0.11178343573976687,0.10354000234596727,0.09682531845562493,0.0912761010401749,0.08658229797285918,0.78,0.78,0.78,0.78,0.78,0.78,0.78,0.78,0.78,0.78,0.78,1.24,2.2423382467225053,2.2688890808921935,2.2806868462461134,2.2876906573012317,2.292534150570129,2.2960721880867445,2.298819999218011,2.3010582271814584,2.3029079663199417,2.3044725673423803,third
+275,11.21,91,3.694329949093822e+17,1.0,0.0,31.6,Branched,Acid,1,1.9142301890168316,1.1103813892719394,9.85,1.503044405242886,1.5050118595061985,1.5045275653902292,1.503031873089559,1.5058350133114624,1.5028089215719007,1.5038421277076146,1.5046662005444578,1.5027342346507864,1.5053462747511779,0.66,0.66,0.66,0.66,0.66,0.66,0.66,0.66,0.66,0.66,0.66,3.08,5.862318531585703,5.861662713497931,5.861824144869921,5.862322708970144,5.861388328896177,5.862397026142697,5.86205262409746,5.861777933151846,5.86242192178307,5.861551241749605,third
+271,2.58,96,5.6119506277215976e+16,3.75,1.3217558399823195,183.8,Linear,None,0,0.017565544832103236,0.012300293525201851,9.32,9.189947217023596,9.061709211621803,8.93526064459577,8.810576550997764,8.687632329958799,8.56640370943092,8.446866746168793,8.328997825729706,8.21277366247357,8.098171299562912,0.78,0.78,0.78,0.78,0.78,0.78,0.78,0.78,0.78,0.78,0.78,0.66,0.7900527829764045,0.9182907883781972,1.0447393554042304,1.1694234490022364,1.2923676700412012,1.4135962905690802,1.5331332538312066,1.651002174270293,1.7672263375264303,1.881828700437088,first
+280,9.94,97,1.140412435545495e+17,3.96,1.3762440252663892,145.4,Ring,Base,1,0.09137695218075093,0.07553844441759187,1.19,1.464014682864855,1.6328568953595286,1.7328875227613814,1.7881837411448767,1.8197182396590095,1.8369577947959461,1.846269543523894,1.8519610238306858,1.8544976575636907,1.8557658953005653,2.99,2.99,2.99,2.99,2.99,2.99,2.99,2.99,2.99,2.99,2.99,4.51,4.372992658567572,4.288571552320235,4.238556238619309,4.210908129427561,4.195140880170495,4.186521102602026,4.181865228238053,4.1790194880846565,4.177751171218154,4.1771170523497165,second
+279,1.5,98,1.5120645733129245e+17,1.0,0.0,161.9,Linear,Enzyme,0,0.06780416092272244,0.056766605314294886,3.92,1.603738678594925,1.1846702749919185,0.9818948425196737,0.8569628470554872,0.7701714912203881,0.705701412319279,0.6544619744823016,0.6131983544992463,0.5791864157683421,0.5501943816393983,2.14,2.14,2.14,2.14,2.14,2.14,2.14,2.14,2.14,2.14,2.14,2.81,3.582087107135025,3.721776575002694,3.789368385826776,3.8310123843148376,3.859942836259871,3.8814328625602403,3.898512675172566,3.912267215166918,3.9236045280772194,3.933268539453534,third
+279,2.94,92,3.9776321872210874e+17,2.59,0.9516578757114463,112.4,Ring,Base,1,2.3696095515924487,1.615046092848632,7.0,4.897255746753474,4.8109595820344,4.8064298044123275,4.803379248218604,4.8101630162836315,4.8087800258547295,4.807533979968074,4.809831261330919,4.81445887116691,4.809794735051827,2.69,2.69,2.69,2.69,2.69,2.69,2.69,2.69,2.69,2.69,2.69,4.86,6.962744253246526,7.0490404179656,7.053570195587672,7.056620751781395,7.049836983716368,7.05121997414527,7.052466020031925,7.050168738669081,7.045541128833089,7.050205264948173,first
+275,3.48,100,5.250585206583727e+16,1.57,0.45107561936021673,196.6,Unknown,Base,0,0.005310154286520772,0.004431388375805577,3.01,2.9972402701204492,2.9845346301765976,2.9718828508761614,2.9592847038965804,2.94673996188021,2.9342483984408267,2.921809788154314,2.909423906545268,2.897090530086967,2.884809436201371,0.56,0.56,0.56,0.56,0.56,0.56,0.56,0.56,0.56,0.56,0.56,2.87,2.8827597298795506,2.8954653698234023,2.9081171491238385,2.9207152961034195,2.9332600381197897,2.945751601559173,2.958190211845686,2.970576093454732,2.9829094699130327,2.9951905637986287,first
+273,10.64,98,4.762777787547718e+17,1.74,0.5538851132264376,166.5,Linear,Base,0,0.08438916291483965,0.04973637403800846,1.14,1.0655774984303574,0.9960135647254952,0.930989089435308,0.8702035813173479,0.8133871402422037,0.7602847365112446,0.7106545986469286,0.664268213392802,0.6209103257134998,0.5803789387947456,4.21,4.21,4.21,4.21,4.21,4.21,4.21,4.21,4.21,4.21,4.21,1.88,1.9544225015696424,2.0239864352745047,2.089010910564692,2.149796418682652,2.2066128597577963,2.259715263488755,2.309345401353071,2.355731786607198,2.3990896742865,2.4396210612052545,first
+275,1.6,90,3.8913068323876294e+17,2.27,0.8197798314933114,182.5,Unknown,Acid,1,3.1225180876036034,1.6288030251940164,7.86,4.426546807378851,4.3492672651945075,4.34548900946801,4.343974042316164,4.340936953502441,4.345695347698798,4.348388649600588,4.349584110286355,4.353714369037338,4.348882717812085,4.46,4.46,4.46,4.46,4.46,4.46,4.46,4.46,4.46,4.46,4.46,4.82,8.25345319262115,8.330732734805489,8.334510990531989,8.336025957683832,8.339063046497557,8.3343046523012,8.33161135039941,8.330415889713642,8.326285630962659,8.331117282187911,first
+270,1.3,93,2.3961700533587542e+17,4.89,1.5871923034867805,136.5,Unknown,Acid,0,0.24374530665284155,0.2093845256214705,8.89,0.9215808522406626,0.6536492006138589,0.5340793534949142,0.46247012533785187,0.41397250584761575,0.3779297996095552,0.34976686864934886,0.3273250923353741,0.3087762211418222,0.29288405258205763,3.46,3.46,3.46,3.46,3.46,3.46,3.46,3.46,3.46,3.46,3.46,2.75,5.406139715919779,5.495450266462047,5.535306882168362,5.559176624887383,5.575342498050794,5.587356733463481,5.596744377116884,5.604224969221542,5.610407926286059,5.615705315805981,third
+279,12.82,98,4.756600838957173e+17,0.74,-0.3011050927839216,32.1,Ring,Acid,1,0.21329600231501702,0.1838023454834866,2.09,1.1298113952017146,1.050746844891457,1.0385667603104471,1.036586556640275,1.036515891795153,1.0360241985805674,1.0364918891550579,1.034718188976905,1.0381180573894266,1.0367768678433433,1.53,1.53,1.53,1.53,1.53,1.53,1.53,1.53,1.53,1.53,1.53,0.94,1.260062868266095,1.2864177183695145,1.2904777465631845,1.2911378144532417,1.291161369401616,1.291325267139811,1.2911693702816474,1.291760603674365,1.2906273142035243,1.2910743773855522,third
+276,1.06,92,1.5130541775149437e+17,3.38,1.2178757094949273,182.5,Branched,Base,0,0.5857050325371896,0.47315268759636986,6.23,3.74736114075261,3.4654308282162374,3.413120125470842,3.402667326513827,3.400541967856889,3.400110736300119,3.400022466711358,3.4000045586352106,3.4000010964800187,3.4000002574187547,2.83,0.3473611407526094,0.06543082821623689,0.013120125470841775,0.0026673265138269907,0.0005419678568890636,0.00011073630011867884,2.2466711357804196e-05,4.558635210829014e-06,1.0964800187718297e-06,2.5741875445610767e-07,2.88,5.36263885924739,5.644569171783762,5.696879874529158,5.707332673486173,5.709458032143111,5.709889263699882,5.709977533288643,5.709995441364789,5.709998903519981,5.709999742581246,second
+279,11.62,90,4.2418519171613536e+17,4.14,1.4206957878372228,23.1,Unknown,None,0,5.9849849313261325,3.2021482158933914,7.46,0.062334131889846406,0.0005214602815686853,4.418552288903229e-06,-7.269626335051892e-08,-1.324890465402834e-06,8.918277190854072e-07,-4.675179185431808e-07,6.828133995186517e-07,4.7450992528011504e-07,2.9357995722826973e-07,3.06,3.06,3.06,3.06,3.06,3.06,3.06,3.06,3.06,3.06,3.06,3.61,11.007665868110154,11.06947853971843,11.06999558144771,11.070000072696264,11.070001324890464,11.069999108172281,11.07000046751792,11.069999317186602,11.069999525490076,11.069999706420043,first
+274,13.19,95,2.935067629260109e+16,3.47,1.244154593958768,120.5,Branched,Base,0,0.02272027820503359,0.015132245863121516,8.06,7.992135534819903,7.9339104821148005,7.88376463056217,7.840505504206809,7.803264993856971,7.77122696807778,7.74362564662033,7.719745600421692,7.698928065547097,7.680806185130075,0.5,0.4321355348199028,0.3739104821147999,0.32376463056216964,0.28050550420680864,0.2432649938569707,0.21122696807777927,0.18362564662032996,0.15974560042169067,0.13892806554709666,0.12080618513007481,0.93,0.9978644651800973,1.0560895178852001,1.1062353694378304,1.1494944957931914,1.1867350061430293,1.2187730319222208,1.24637435337967,1.2702543995783095,1.2910719344529034,1.3091938148699254,second
+273,6.88,90,9.538793052860766e+16,2.66,0.9783261227936078,94.2,Unknown,Enzyme,0,0.573667823723996,0.30733178775198516,3.12,0.7406379522263564,0.4831967188531766,0.3690364643672494,0.30225204259934774,0.2572992805760761,0.22504061454322644,0.20053788280368567,0.18102237043108726,0.16522468400486529,0.1521153548730561,2.05,0.8603189761131782,0.7315983594265882,0.6745182321836246,0.6411260212996738,0.6186496402880379,0.6025203072716132,0.5902689414018427,0.5805111852155435,0.5726123420024325,0.5660576774365279,2.83,4.019681023886822,4.148401640573412,4.205481767816376,4.238873978700326,4.261350359711963,4.277479692728387,4.289731058598157,4.299488814784456,4.307387657997567,4.313942322563472,third
+278,9.55,96,4.4064808554685734e+17,0.59,-0.527632742082372,83.8,Linear,None,1,0.40325440042299576,0.297568370281825,1.24,0.9866033492081696,0.841860015205024,0.7595480226206615,0.7122416040253139,0.6855440046933048,0.6700327503446111,0.661332527938142,0.6563984818551799,0.6534789649437922,0.6518632657374518,0.24,0.24,0.24,0.24,0.24,0.24,0.24,0.24,0.24,0.24,0.24,0.29,0.5433966507918303,0.688139984794976,0.7704519773793385,0.817758395974686,0.8444559953066952,0.8599672496553888,0.8686674720618579,0.87360151814482,0.8765210350562077,0.8781367342625481,first
+274,2.75,93,4.8069957517588416e+17,1.61,0.4762341789963717,58.8,Ring,Enzyme,0,0.895277738544987,0.5112310840954075,6.88,6.16377780916401,5.44755561832802,4.7313334274920305,4.0151112366560415,3.298889045820051,2.5826668549840606,1.8664446641480712,1.1502224733120805,0.43400028247609157,-0.28222190835989824,2.21,2.21,2.21,2.21,2.21,2.21,2.21,2.21,2.21,2.21,2.21,2.11,2.8262221908359897,3.5424443816719786,4.258666572507969,4.974888763343959,5.6911109541799485,6.407333145015938,7.123555335851928,7.839777526687919,8.555999717523907,9.272221908359898,zero
+273,11.96,95,2.0435106256946858e+17,2.85,1.0473189942805592,130.9,Branched,None,0,0.13577850553652449,0.10240182293984788,7.43,6.710549489243868,6.390392161771297,6.2364823147534265,6.159924754675313,6.121105950127125,6.10116366827599,6.090918683813901,6.085647000117561,6.082916224867548,6.081508050767162,1.35,0.630549489243868,0.31039216177129786,0.15648231475342622,0.07992475467531265,0.04110595012712507,0.021163668275989877,0.010918683813900452,0.005647000117560018,0.0029162248675472,0.0015080507671616503,0.5,1.2194505107561322,1.5396078382287022,1.693517685246574,1.7700752453246875,1.808894049872875,1.8288363317240102,1.8390813161860997,1.84435299988244,1.847083775132453,1.8484919492328382,second
+270,1.56,91,3.2896022057294074e+17,4.48,1.4996230464268938,168.3,Ring,Enzyme,0,0.8156413671316292,0.44504986275644826,1.43,0.47723689513978995,0.347359274136758,0.2863655252099816,0.2494582567057111,0.2236231569339974,0.20464459067700072,0.1897974068507571,0.17767482765466414,0.16762968414901736,0.15911368077938737,1.36,1.36,1.36,1.36,1.36,1.36,1.36,1.36,1.36,1.36,1.36,3.72,4.037587701620071,4.080880241954414,4.101211491596674,4.11351391443143,4.122125614355335,4.128451803107668,4.1334008643830815,4.137441724115113,4.140790105283662,4.143628773073538,third
+273,6.42,91,3.092172243579447e+17,2.52,0.9242589015233319,128.5,Linear,Enzyme,0,1.1969834731964895,0.764501287378344,4.89,3.9324132214428085,2.974826442885617,2.017239664328425,1.0596528857712335,0.1020661072140423,-0.8555206713431502,-1.8131074499003415,-2.7706942284575327,-3.728281007014723,-4.685867785571913,3.73,3.73,3.73,3.73,3.73,3.73,3.73,3.73,3.73,3.73,3.73,1.61,2.5675867785571915,3.525173557114383,4.482760335671575,5.440347114228766,6.397933892785957,7.35552067134315,8.313107449900341,9.270694228457533,10.228281007014722,11.185867785571913,zero
+276,8.99,100,9.333946250675845e+16,3.03,1.1085626195212777,78.2,Branched,Enzyme,1,0.011060825809161992,0.009256446158197543,4.47,4.461719010787106,4.4538488521432855,4.4463680994171595,4.439256458330698,4.43249485479801,4.426065463309537,4.41995131162696,4.41413627085632,4.408605055448011,4.403343223196785,0.46,0.45171901078710675,0.4438488521432859,0.4363680994171599,0.4292564583306985,0.42249485479801063,0.4160654633095372,0.4099513116269608,0.4041362708563204,0.3986050554480114,0.39334322319678544,1.31,1.3182809892128933,1.326151147856714,1.33363190058284,1.3407435416693014,1.3475051452019893,1.3539345366904627,1.3600486883730392,1.3658637291436795,1.3713949445519886,1.3766567768032145,second
+279,13.94,95,1.3815781898533368e+17,2.99,1.095273387402595,87.3,Branched,Base,0,0.22581072115163559,0.12117221566573158,3.95,1.6291660362292921,1.0263079588082566,0.749744557250727,0.5902594073529077,0.48684310937607445,0.414101986250481,0.3607234943665048,0.31911677516659986,0.2861604676184101,0.25938473982109744,1.8,1.8,1.8,1.8,1.8,1.8,1.8,1.8,1.8,1.8,1.8,0.34,1.500416981885354,1.8018460205958717,1.9401277213746368,2.019870296323546,2.071578445311963,2.10794900687476,2.134638252816748,2.1554416124167006,2.171919766190795,2.1853076300894516,second
+276,13.68,99,4.1234692467507866e+17,2.71,0.9969486348916096,69.9,Linear,Enzyme,0,0.07555231821080427,0.043354180401272105,4.52,4.254895179523905,4.005339253168093,3.7704137311456294,3.549253793052552,3.3410687685095475,3.1451062340360676,2.9606501641540888,2.7870209313881134,2.6235753062651677,2.4697064573148015,3.5,3.5,3.5,3.5,3.5,3.5,3.5,3.5,3.5,3.5,3.5,3.26,3.525104820476094,3.7746607468319073,4.00958626885437,4.2307462069474475,4.438931231490452,4.634893765963931,4.819349835845911,4.992979068611886,5.156424693734832,5.310293542685198,first
+280,11.79,90,2.888535057156508e+17,2.67,0.9820784724121582,108.7,Ring,Base,1,4.681289838753539,3.70782758768755,1.37,1.9791502994596362,1.9777016098595088,1.9776390585525228,1.9782004515219251,1.9781744989087546,1.9766534255854495,1.9782620059739178,1.9776613709224482,1.9774210532985013,1.9777594230740911,0.45,1.059150299459636,1.0577016098595087,1.0576390585525226,1.058200451521925,1.0581744989087545,1.0566534255854494,1.0582620059739176,1.057661370922448,1.0574210532985011,1.057759423074091,3.25,2.6408497005403646,2.6422983901404917,2.6423609414474782,2.641799548478076,2.6418255010912466,2.6433465744145517,2.6417379940260837,2.6423386290775532,2.6425789467014997,2.6422405769259103,second
+277,13.9,95,1.7736208135911658e+17,1.12,0.11332868530700327,93.5,Ring,Acid,0,0.21567834275240097,0.17877876340142035,4.4,3.702691426482143,3.115905262697349,2.621180521697784,2.20424707113581,1.8543564193249655,1.5613449742063474,1.3156213941429722,1.1081665879197724,0.9325447847913402,0.7847598347978397,3.99,3.99,3.99,3.99,3.99,3.99,3.99,3.99,3.99,3.99,3.99,3.25,3.25,3.25,3.25,3.25,3.25,3.25,3.25,3.25,3.25,3.25,first
+270,7.16,94,3.35569960414765e+17,4.88,1.5851452198650557,195.1,Linear,None,0,0.21864174539698994,0.16465699482146132,1.68,0.8461823138318749,0.640000691309807,0.5357410494503455,0.4695571791987995,0.4235380138528482,0.38864799438953385,0.3610073819520997,0.3387500711499135,0.32026335504185205,0.3043420881514288,0.23,0.23,0.23,0.23,0.23,0.23,0.23,0.23,0.23,0.23,0.23,1.52,1.7979392287227085,1.8666664362300645,1.9014196501832181,1.9234809402670667,1.9388206620490507,1.950450668536822,1.9596642060159668,1.9670833096166955,1.9732455483193825,1.978552637282857,third
+274,8.59,95,1.3535193726451523e+17,2.01,0.6981347220709843,168.1,Linear,Enzyme,0,0.1047755642692044,0.053732581569315374,9.33,8.579833277928314,7.889983972622054,7.255548303087632,6.671968520307089,6.1353298843131014,5.641964809830689,5.188417391744181,4.771443405097218,4.3880103050927435,4.03529722709302,4.61,4.61,4.61,4.61,4.61,4.61,4.61,4.61,4.61,4.61,4.61,3.36,3.36,3.36,3.36,3.36,3.36,3.36,3.36,3.36,3.36,3.36,first
+278,7.41,100,1.3438976583985818e+17,1.8,0.5877866649021191,189.0,Ring,None,0,0.0217895733173866,0.019449315725379918,9.35,6.774631867423022,6.063771862280337,5.749609834787144,5.587183781396954,5.497339782990696,5.445723474939184,5.415270033224077,5.397258001313156,5.386407586405648,5.379921469436015,1.99,0.7023159337115115,0.3468859311401685,0.1898049173935722,0.10859189069847713,0.06366989149534841,0.037861737469592364,0.02263501661203878,0.01362900065657827,0.008203793202824355,0.0049607347180076105,1.1,2.3876840662884886,2.743114068859831,2.9001950826064276,2.9814081093015226,3.0263301085046517,3.0521382625304074,3.067364983387961,3.0763709993434216,3.0817962067971756,3.085039265281992,third
+273,12.56,96,4.544842079773296e+17,3.26,1.1817271953786161,21.1,Ring,None,0,0.1943704916292632,0.1094874803113001,5.5,1.3391529387418748,0.8866672821908765,0.684124796408276,0.5647540730309946,0.4838629853485667,0.4254728204076661,0.3809167203424518,0.3452578935346956,0.31625980107065527,0.29210455933300683,3.44,1.3595764693709373,1.1333336410954382,1.032062398204138,0.9723770365154973,0.9319314926742834,0.9027364102038331,0.8804583601712259,0.8626289467673478,0.8481299005353277,0.8360522796665034,4.61,6.6904235306290625,6.916666358904561,7.017937601795862,7.077622963484503,7.118068507325716,7.147263589796166,7.169541639828774,7.187371053232651,7.201870099464672,7.213947720333496,third
+275,4.2,98,5.451947301650783e+16,2.21,0.7929925155296614,191.2,Unknown,Base,0,0.013223703098694927,0.007581529928363496,8.12,3.5712973786233526,2.6581408735184384,2.208819015001973,1.9321238380173524,1.736834557766846,1.5925943823569952,1.4785291660956188,1.3854796273560568,1.308233882136621,1.242585150121208,3.57,3.57,3.57,3.57,3.57,3.57,3.57,3.57,3.57,3.57,3.57,2.24,3.7562342071255492,4.060619708827188,4.210393661666009,4.3026253873275495,4.3677218140777185,4.415801872547668,4.453823611301461,4.484840124214648,4.51058870595446,4.532471616626264,third
+273,8.84,94,2.4689689212541754e+17,4.51,1.506297153514587,76.9,Linear,None,1,0.25486625373764893,0.16788550369177815,3.06,1.7886939371931883,1.5569842169829393,1.5008686130169766,1.4863223322504158,1.4821429487609123,1.481521798048817,1.4808690730604366,1.481314894260556,1.4809677990580872,1.4810676843563435,4.73,4.73,4.73,4.73,4.73,4.73,4.73,4.73,4.73,4.73,4.73,2.54,3.175653031403406,3.2915078915085307,3.319565693491512,3.3268388338747923,3.3289285256195438,3.3292391009755917,3.329565463469782,3.3293425528697225,3.3295161004709573,3.329466157821829,second
+272,5.47,94,1.8827169228287888e+17,2.38,0.8671004876833833,145.5,Unknown,None,1,0.16689986717573327,0.12583545138450175,6.63,4.756555663084097,4.132705241465376,3.8806430348132017,3.7700714546791527,3.7196328163620267,3.6971696166123156,3.686074663369119,3.681586398905194,3.6791269986817965,3.678021638839503,4.27,2.3965556630840963,1.7727052414653757,1.5206430348132016,1.4100714546791526,1.3596328163620266,1.3371696166123153,1.3260746633691187,1.3215863989051937,1.3191269986817962,1.3180216388395027,3.47,5.343444336915903,5.967294758534623,6.2193569651867975,6.329928545320847,6.380367183637972,6.402830383387684,6.41392533663088,6.418413601094805,6.420873001318204,6.421978361160496,second
+279,5.43,91,2.722530576451132e+17,2.93,1.075002423028976,172.2,Branched,None,1,2.4960462612959318,1.3414630273368537,6.41,5.777152439484673,5.777539208232647,5.777458744306405,5.777494906832448,5.777503599348593,5.77751447482537,5.7774868836177555,5.777662454596458,5.7776840375695055,5.777417726552689,0.94,0.3071524394846725,0.30753920823264613,0.3074587443064046,0.3074949068324471,0.3075035993485937,0.307514474825371,0.30748688361775656,0.30766245459645875,0.30768403756950685,0.30741772655269034,2.67,3.302847560515328,3.3024607917673543,3.302541255693596,3.3025050931675533,3.3024964006514064,3.302485525174629,3.302513116382243,3.302337545403541,3.302315962430493,3.3025822734473094,second
+272,6.33,90,1.7805383538987286e+17,4.1,1.410986973710262,172.4,Branched,Base,0,0.9255641232177323,0.5899899291484049,2.67,2.037450098314072,1.9243897377298183,1.898392699609101,1.8920642658906763,1.8905106854392353,1.8901261085725674,1.8900310919658827,1.890007723973824,1.8900021217522516,1.8900005343974056,0.78,0.14745009831407213,0.034389737729818175,0.008392699609100638,0.002064265890676189,0.0005106854392350288,0.00012610857256740732,3.109196588264373e-05,7.723973823951847e-06,2.121752251467868e-06,5.343974053721513e-07,1.02,1.6525499016859277,1.7656102622701817,1.791607300390899,1.7979357341093236,1.7994893145607647,1.7998738914274326,1.7999689080341172,1.799992276026176,1.7999978782477484,1.7999994656025944,second
+270,11.23,95,6.246360530818153e+16,3.62,1.2864740258376797,64.6,Linear,Acid,0,0.026068043647148938,0.022989461250279973,8.54,2.68841675351078,1.9493079555509523,1.6065820134874889,1.3966021977928245,1.2535189003436333,1.1455808413400481,1.0620285100582434,0.9950224185987377,0.9387398360404954,0.8909062395452041,0.66,0.66,0.66,0.66,0.66,0.66,0.66,0.66,0.66,0.66,0.66,0.75,2.7005277488297392,2.946897348149682,3.061139328837503,3.1311326007357243,3.1788270332187882,3.214806386219983,3.242657163313918,3.264992527133753,3.2837533879865006,3.2996979201515977,third
+273,8.19,95,2.0322478841795286e+17,2.2,0.7884573603642703,80.8,Linear,Acid,0,0.13503016677481516,0.11643788031896998,8.93,7.911505144906114,7.516241645698289,7.347477791820545,7.272461793315883,7.23854875932283,7.223091544510987,7.2160122083681,7.212760180558425,7.211266096225638,7.210582136032868,1.72,0.7015051449061127,0.30624164569828805,0.13747779182054368,0.06246179331588133,0.028548759322828535,0.013091544510985431,0.006012208368098787,0.0027601805584241855,0.0012660962256371589,0.0005821360328672294,2.86,3.878494855093887,4.2737583543017115,4.442522208179456,4.517538206684118,4.551451240677171,4.566908455489014,4.573987791631901,4.5772398194415755,4.578733903774363,4.579417863967133,second
+278,2.73,100,3.015145129548948e+16,3.68,1.3029127521808397,68.0,Linear,Base,1,0.004888670312972789,0.0038711661659446596,2.79,2.5778835405840295,2.403364586188176,2.256761756246762,2.131560423385637,2.0245079136715685,1.9326223434348537,1.8530272184824454,1.7829514340979484,1.7197292750416218,1.662223935391535,4.2,4.093941770292015,4.006682293094088,3.9333808781233808,3.8707802116928187,3.8172539568357844,3.771311171717427,3.7315136092412224,3.696475717048974,3.664864637520811,3.6361119676957676,3.34,3.446058229707985,3.533317706905912,3.606619121876619,3.6692197883071813,3.722746043164215,3.768688828282573,3.808486390758777,3.8435242829510257,3.8751353624791887,3.903888032304232,third
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+280,12.37,95,3.412390689280393e+16,1.33,0.28517894223366247,32.1,Branched,Base,0,0.06455821579124882,0.03410463480789717,7.23,2.9036334484767057,2.1503251681663764,1.7897598346110626,1.566790830586415,1.4127632666175165,1.296834407057104,1.2068992804418495,1.1339778666332583,1.0728687313885747,1.0210318743233926,3.55,1.3868167242383524,1.0101625840831878,0.8298799173055309,0.7183954152932072,0.6413816333087579,0.5834172035285516,0.5384496402209243,0.5019889333166287,0.471434365694287,0.4455159371616959,4.25,6.413183275761647,6.789837415916812,6.970120082694469,7.081604584706793,7.1586183666912415,7.216582796471448,7.261550359779075,7.298011066683371,7.328565634305712,7.354484062838304,third
+272,3.75,94,1.925607317064216e+17,4.81,1.5706970841176697,32.7,Unknown,Base,1,0.17070203255397406,0.09444208355174497,9.14,6.959359703398507,6.35148505412475,6.141582087360991,6.063884099962228,6.034438872502185,6.0233204745574005,6.018962100917754,6.01727680612044,6.0166594817378005,6.016456515334201,3.56,1.379359703398506,0.7714850541247501,0.5615820873609911,0.4838840999622271,0.45443887250218545,0.4433204745574002,0.43896210091775417,0.43727680612043957,0.43665948173780067,0.436456515334201,1.62,3.800640296601494,4.40851494587525,4.618417912639009,4.696115900037773,4.725561127497816,4.7366795254426,4.741037899082246,4.742723193879561,4.7433405182622,4.7435434846658,second
+271,10.05,93,4.230178177043398e+17,0.57,-0.5621189181535413,95.5,Unknown,Base,0,0.50138412092266,0.4102638958693595,8.02,1.0812995859920818,0.5804996147669219,0.39664534851379046,0.3010063249899363,0.24264832698866057,0.20321580285637483,0.17493639596490715,0.1533721038286376,0.13663695674341567,0.12320959769701469,2.34,2.34,2.34,2.34,2.34,2.34,2.34,2.34,2.34,2.34,2.34,1.62,5.089350207003959,5.33975019261654,5.431677325743106,5.479496837505033,5.50867583650567,5.528392098571813,5.542531802017547,5.553313948085681,5.561681521628293,5.568395201151493,second
+273,9.44,98,4.6612397637585094e+17,4.48,1.4996230464268938,150.0,Ring,None,0,0.0825900638987148,0.04256159504081425,6.43,6.018887598845192,5.634060619299131,5.273831532646652,4.936604445670479,4.620940419546929,4.325481815528629,4.048940731056637,3.790098999760433,3.5478081914579263,3.32098961215545,0.63,0.63,0.63,0.63,0.63,0.63,0.63,0.63,0.63,0.63,0.63,3.87,3.87,3.87,3.87,3.87,3.87,3.87,3.87,3.87,3.87,3.87,first
+273,13.52,94,4.2748357155188205e+17,1.79,0.5822156198526637,82.1,Ring,Base,0,0.4412819273580563,0.2543935342406383,1.79,1.4369744581135548,1.0839489162271099,0.7309233743406647,0.3778978324542196,0.02487229056777429,-0.3281532513186711,-0.6811787932051165,-1.0342043350915615,-1.3872298769780071,-1.7402554188644523,3.31,3.31,3.31,3.31,3.31,3.31,3.31,3.31,3.31,3.31,3.31,0.26,0.6130255418864452,0.9660510837728902,1.3190766256593354,1.6721021675457806,2.0251277094322258,2.378153251318671,2.7311787932051166,3.0842043350915613,3.437229876978007,3.7902554188644526,zero
+273,1.47,93,4.5913480092302906e+17,1.86,0.62057648772511,27.4,Ring,Enzyme,1,0.7363418976913866,0.4016686269501096,2.86,2.33095146410062,2.1199514023099644,2.034533924021131,1.9999462993730148,1.985857662022522,1.9805754639681121,1.9780693062873063,1.9771080963641035,1.9771464281822744,1.9767952430966618,1.01,1.01,1.01,1.01,1.01,1.01,1.01,1.01,1.01,1.01,1.01,2.74,3.26904853589938,3.4800485976900353,3.565466075978869,3.6000537006269853,3.6141423379774786,3.619424536031888,3.621930693712694,3.6228919036358964,3.6228535718177257,3.623204756903338,first
+274,8.44,99,2.942988763590899e+17,2.23,0.8020015854720274,111.5,Linear,Base,1,0.03935565148627835,0.03287758521922125,3.23,2.0954777019232607,1.6446114962119305,1.4046418248411323,1.2592019719912202,1.1649207900233842,1.1012344341138083,1.0562887446083156,1.0249848103261208,1.0025503817992316,0.9859683367920259,3.21,2.6427388509616305,2.4173057481059654,2.2973209124205662,2.22460098599561,2.177460395011692,2.1456172170569046,2.123144372304158,2.107492405163061,2.0962751908996164,2.0879841683960136,1.04,1.6072611490383697,1.8326942518940348,1.9526790875794338,2.02539901400439,2.072539604988308,2.104382782943096,2.1268556276958424,2.1425075948369394,2.153724809100384,2.162015831603987,third
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+271,10.73,97,4.0182095251369363e+17,4.66,1.5390154481375546,179.7,Linear,Acid,0,0.08069110290231511,0.042464958118380386,6.56,2.584858364192751,1.9068648759621472,1.5830377252280052,1.383211879402746,1.2448890710172895,1.141039002645843,1.0605163006334004,0.9950215958581734,0.9402539359603348,0.8937958546098288,3.25,1.2624291820963758,0.9234324379810738,0.7615188626140028,0.6616059397013732,0.592444535508645,0.5405195013229217,0.5002581503167004,0.4675107979290869,0.4401269679801676,0.4168979273049146,4.45,6.437570817903625,6.7765675620189265,6.938481137385997,7.038394060298627,7.107555464491355,7.159480498677079,7.1997418496833,7.232489202070913,7.259873032019833,7.283102072695086,third
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+276,7.46,97,3.587763927800541e+17,1.73,0.5481214085096876,20.1,Ring,None,1,0.15715726006959796,0.11538914077263558,3.2,3.1643969860273558,3.1453082477179986,3.1346628583729137,3.128458595941641,3.1253029070254734,3.1232590493645627,3.12212002820218,3.1217236391646375,3.1214205704874924,3.121177683256481,0.86,0.8243969860273553,0.8053082477179981,0.7946628583729133,0.7884585959416406,0.7853029070254731,0.7832590493645619,0.7821200282021794,0.7817236391646369,0.7814205704874918,0.7811776832564803,3.24,3.2756030139726446,3.294691752282002,3.3053371416270867,3.3115414040583593,3.314697092974527,3.3167409506354377,3.3178799717978205,3.318276360835363,3.318579429512508,3.3188223167435194,second
+279,10.14,96,3.460413446375425e+17,3.7,1.308332819650179,34.5,Branched,Acid,0,0.3675101907208992,0.32719876158888944,7.94,7.64599184742328,7.351983694846561,7.057975542269842,6.763967389693123,6.469959237116404,6.175951084539684,5.881942931962964,5.587934779386245,5.293926626809526,4.999918474232806,3.53,3.53,3.53,3.53,3.53,3.53,3.53,3.53,3.53,3.53,3.53,0.1,0.3940081525767195,0.6880163051534387,0.9820244577301582,1.2760326103068775,1.5700407628835968,1.8640489154603166,2.1580570680370363,2.452065220613756,2.746073373190475,3.0400815257671945,zero
+275,5.08,90,8.88551117221544e+16,4.06,1.4011829736136412,75.0,Linear,None,1,0.7130038968379864,0.36093996604059136,4.29,1.1571809987210544,1.1555793136781112,1.1557882335888312,1.155425663184323,1.1560394676651273,1.1569915672240871,1.1577951712087236,1.1573235031038605,1.156404082229074,1.1568524438721017,0.71,0.71,0.71,0.71,0.71,0.71,0.71,0.71,0.71,0.71,0.71,2.01,3.054273000426315,3.0548068954406298,3.0547372554703895,3.0548581122718925,3.0546535107782913,3.054336144258638,3.0540682762637594,3.0542254989653808,3.0545319725903095,3.0543825187093,third
+277,3.16,100,4.6090299408863763e+17,2.5,0.9162907318741551,112.8,Unknown,None,1,0.06392308097897133,0.04803404863470726,3.98,1.6773696605482822,1.2989027229639696,1.1760993934669284,1.129754470785578,1.1118421437339743,1.1041941878102837,1.1013646848012024,1.0998751683823236,1.0997131305450065,1.0993708235656676,4.98,3.828684830274141,3.6394513614819846,3.578049696733464,3.5548772353927887,3.545921071866987,3.5420970939051415,3.540682342400601,3.539937584191162,3.539856565272503,3.5396854117828336,4.25,5.4013151697258595,5.590548638518016,5.651950303266537,5.675122764607212,5.684078928133014,5.687902906094859,5.6893176575994,5.690062415808839,5.6901434347274975,5.690314588217167,third
+271,11.11,92,2.118508034860353e+17,3.77,1.3270750014599193,111.5,Linear,Enzyme,1,0.39137829879317637,0.29728416850102346,8.73,1.585533215881611,1.5851224643845072,1.5861706265447415,1.5871987290541947,1.585277418258239,1.5836781120050987,1.583966113434287,1.5859737747126423,1.587126506474321,1.5861127457203328,4.91,4.91,4.91,4.91,4.91,4.91,4.91,4.91,4.91,4.91,4.91,2.86,5.241488928039463,5.241625845205164,5.241276457818419,5.240933756981935,5.24157419391392,5.2421072959983,5.2420112955219045,5.241342075095787,5.240957831175227,5.241295751426557,third
+280,3.31,96,3.5014450865800614e+17,1.11,0.10436001532424286,192.0,Unknown,Acid,1,0.43110302184726407,0.2664950716939015,8.15,6.558987678652893,5.648875964199691,5.128519318105834,4.830351831395927,4.6599064172281555,4.562638430830537,4.505842116024344,4.47519228362601,4.4565128941148275,4.445812640899596,0.2,0.2,0.2,0.2,0.2,0.2,0.2,0.2,0.2,0.2,0.2,3.45,5.0410123213471065,5.951124035800309,6.471480681894166,6.769648168604073,6.940093582771844,7.037361569169462,7.094157883975655,7.12480771637399,7.143487105885172,7.154187359100404,first
+278,5.33,99,4.721788402144968e+17,0.9,-0.10536051565782628,194.2,Branched,Enzyme,1,0.11800223269732478,0.062063383372485965,5.97,4.5497595337729315,3.8835907065612694,3.5242168344726097,3.316666539068356,3.1912069131645158,3.113899083327837,3.0655985072850283,3.0344731366838387,3.0152664004730174,3.0027965712222877,4.16,2.7397595337729324,2.0735907065612698,1.7142168344726103,1.5066665390683562,1.3812069131645166,1.3038990833278377,1.2555985072850289,1.2244731366838395,1.205266400473018,1.192796571222288,3.64,5.060240466227068,5.72640929343873,6.085783165527389,6.293333460931644,6.418793086835484,6.496100916672162,6.544401492714971,6.575526863316161,6.5947335995269825,6.607203428777712,second
+276,9.06,93,1.0924709181376379e+17,0.84,-0.1743533871447778,117.3,Linear,Acid,1,0.2735089762769214,0.15101380169985706,8.15,6.4983284318511805,6.223473509552975,6.168474069796154,6.157010391948804,6.1545272142057605,6.154000346823147,6.154021463559346,6.153771165869717,6.154036701315233,6.153968911191791,2.43,0.7783284318511803,0.5034735095529742,0.4484740697961535,0.43701039194880303,0.4345272142057597,0.4340003468231452,0.43402146355934457,0.4337711658697151,0.4340367013152309,0.433968911191789,2.84,4.49167156814882,4.766526490447025,4.821525930203846,4.8329896080511965,4.83547278579424,4.835999653176853,4.8359785364406545,4.836228834130283,4.835963298684767,4.836031088808209,second
+274,12.42,90,3.4382309760330714e+17,2.62,0.9631743177730056,40.0,Linear,Acid,1,2.3897466900299933,1.30954708009435,4.12,1.1900138117738388,1.1879474124976528,1.189767300584204,1.1887545510119373,1.1889683577767813,1.1900455572055482,1.187932742620801,1.1900180141548007,1.1890040784436784,1.1895467220384288,4.5,4.5,4.5,4.5,4.5,4.5,4.5,4.5,4.5,4.5,4.5,2.09,3.0666620627420533,3.0673508625007826,3.0667442331385995,3.0670818163293543,3.06701054740774,3.066651480931484,3.0673557524597337,3.0666606619484,3.0669986405187735,3.0668177593205233,third
+273,3.25,98,2.72365307398622e+17,4.31,1.4609379041156563,22.1,Ring,Enzyme,0,0.04825898104779555,0.031193486745782605,1.33,1.2796309992641617,1.231169549557033,1.1845433920739097,1.139682713876886,1.0965209254040187,1.054993976213701,1.0150400004522346,0.9765993168538303,0.9396144287406071,0.9040300240225934,3.65,3.65,3.65,3.65,3.65,3.65,3.65,3.65,3.65,3.65,3.65,3.14,3.14,3.14,3.14,3.14,3.14,3.14,3.14,3.14,3.14,3.14,first
+272,2.21,98,3.202335782623816e+17,3.02,1.1052568313867783,192.9,Unknown,Acid,0,0.04841206621896862,0.025942110524402155,3.76,3.6171604123290972,3.479747208065093,3.3475541929082664,3.220382170313439,3.0980411807766304,2.9803485265686978,2.867127758169752,2.7582086742691545,2.65342732176552,2.5526259957667152,4.89,4.89,4.89,4.89,4.89,4.89,4.89,4.89,4.89,4.89,4.89,2.59,2.59,2.59,2.59,2.59,2.59,2.59,2.59,2.59,2.59,2.59,first
+277,6.38,90,4.9634103909594874e+17,2.66,0.9783261227936078,21.1,Ring,Acid,1,5.292045119210563,3.5129478275636474,3.88,3.041417011255272,3.041546301873435,3.041126456997813,3.0402126027054988,3.038526259466632,3.0377561986488693,3.040161598432484,3.0417947175649447,3.0434529613784753,3.041723826275433,3.78,3.78,3.78,3.78,3.78,3.78,3.78,3.78,3.78,3.78,3.78,3.74,4.578582988744728,4.578453698126564,4.578873543002187,4.579787397294502,4.581473740533368,4.582243801351131,4.579838401567516,4.5782052824350545,4.576547038621524,4.578276173724566,first
+278,10.27,97,8.588704106197814e+16,2.85,1.0473189942805592,77.6,Ring,Base,1,0.050993367611342384,0.040281701830051066,1.24,1.4106547693128033,1.4907430573409226,1.5254101747710027,1.5397361620995411,1.5452294874064814,1.5476769976964406,1.5486514899683916,1.5486922342629088,1.5490183820266077,1.5491121767522764,4.95,4.95,4.95,4.95,4.95,4.95,4.95,4.95,4.95,4.95,4.95,4.81,4.753115076895732,4.726418980886359,4.714863275076332,4.710087945966818,4.708256837531172,4.707441000767852,4.707116170010535,4.707102588579029,4.7069938726577965,4.70696260774924,third
+275,11.02,99,4.7474466090175245e+17,0.53,-0.6348782724359695,190.3,Ring,None,0,0.0743550592516939,0.040726022209643185,1.51,1.2176955159521303,0.996987161455804,0.8252736606536888,0.689972260253344,0.5818887384572674,0.49324425109444736,0.4195955149766424,0.3584570490970557,0.30735898997867106,0.2642570144090717,3.77,3.4776955159521306,3.256987161455804,3.0852736606536886,2.949972260253344,2.8418887384572673,2.753244251094447,2.679595514976642,2.6184570490970556,2.5673589899786706,2.5242570144090712,3.57,3.8623044840478693,4.083012838544196,4.254726339346312,4.390027739746656,4.498111261542733,4.586755748905553,4.660404485023357,4.721542950902944,4.772641010021329,4.815742985590928,second
+274,13.88,93,1.7254460924019946e+17,2.99,1.095273387402595,53.7,Linear,Base,0,0.32135528204320324,0.19483730454078202,3.86,2.984936907170571,2.308075310286931,1.7836998806609152,1.3795509406020419,1.0680777053896322,0.8258498637978804,0.6382589303775827,0.4938665313382818,0.3823520765217525,0.29567552591066465,1.05,1.05,1.05,1.05,1.05,1.05,1.05,1.05,1.05,1.05,1.05,2.14,3.015063092829429,3.691924689713069,4.216300119339085,4.620449059397958,4.931922294610368,5.17415013620212,5.3617410696224175,5.5061334686617185,5.6176479234782475,5.7043244740893355,first
+273,7.42,91,3.948720734540325e+16,2.45,0.8960880245566357,100.3,Unknown,Enzyme,0,0.1528554390631775,0.13132527536800032,7.6,6.725213987396966,5.951097875468928,5.265172539432403,4.657816157962582,4.1208901281696075,3.6466898253169906,3.227944602821614,2.857817792253728,2.5299067033369473,2.2387829906640224,3.12,3.12,3.12,3.12,3.12,3.12,3.12,3.12,3.12,3.12,3.12,3.23,4.104786012603033,4.878902124531072,5.564827460567597,6.172183842037418,6.7091098718303925,7.18331017468301,7.602055397178386,7.972182207746272,8.300093296663054,8.59121700933598,first
+278,5.59,94,3.904774066403965e+16,3.87,1.3532545070416904,82.1,Branched,Enzyme,1,0.08489565967422676,0.04330740959454331,2.1,1.8403912323177891,1.6914359420601959,1.598613343769987,1.5415921868698566,1.5049196836836733,1.481024527032643,1.4662827950206667,1.456482156867635,1.449898759130391,1.4456427962683545,2.48,2.48,2.48,2.48,2.48,2.48,2.48,2.48,2.48,2.48,2.48,3.72,3.8498043838411053,3.9242820289699023,3.9706933281150065,3.999203906565072,4.017540158158163,4.029487736483679,4.036858602489667,4.041758921566183,4.045050620434806,4.047178601865824,second
+271,11.48,91,4.240458256057374e+17,0.92,-0.08338160893905101,172.0,Unknown,Acid,1,1.2210519135194375,0.6488686907865371,8.95,1.8708051409249695,1.8709414531743573,1.87020903001109,1.8678525764889422,1.8709841271614482,1.870815489459418,1.8692272426442902,1.8715228226999165,1.8720028415170764,1.8701696978232647,0.31,0.31,0.31,0.31,0.31,0.31,0.31,0.31,0.31,0.31,0.31,3.04,6.5795974295375155,6.579529273412822,6.579895484994455,6.581073711755529,6.579507936419275,6.57959225527029,6.580386378677853,6.57923858865004,6.57899857924146,6.5799151510883656,second
+270,13.69,99,4.551118819290093e+17,0.84,-0.1743533871447778,127.1,Branched,None,1,0.03196870900014397,0.016635559612474617,8.09,2.4832109323710925,1.8574354339429684,1.5935909221904807,1.4503741887430044,1.3631302829740006,1.3074157985358141,1.2706570469443992,1.244930485577871,1.2274919581091976,1.2154318646898645,0.98,0.98,0.98,0.98,0.98,0.98,0.98,0.98,0.98,0.98,0.98,0.9,2.768929689209636,2.9775215220190105,3.0654696926031733,3.1132086037523323,3.1422899056753333,3.1608614004880624,3.173114317685201,3.18168983814071,3.1875026806302675,3.1915227117700455,third
+277,8.51,96,3.8281741530219437e+17,3.82,1.3402504226184837,159.8,Linear,None,1,0.30154902565849995,0.20385399399166604,2.62,1.7516197209886106,1.698598480883006,1.6937427152200946,1.693201990047205,1.6936400305110961,1.6927748816325543,1.6935930960932388,1.6945800864270908,1.693814449931042,1.6935506381949998,1.4,0.9658098604943052,0.9392992404415028,0.9368713576100471,0.9366009950236024,0.9368200152555479,0.936387440816277,0.9367965480466193,0.9372900432135453,0.9369072249655208,0.9367753190974998,3.51,3.944190139505695,3.970700759558497,3.973128642389953,3.9733990049763976,3.973179984744452,3.973612559183723,3.9732034519533808,3.972709956786455,3.973092775034479,3.9732246809025002,third
+270,9.96,96,2.539249256160751e+17,2.01,0.6981347220709843,74.5,Ring,Acid,0,0.06787629195202885,0.05836159018134273,9.16,8.042412086479777,7.3977621411725325,6.995538917278489,6.732928394174305,6.556676340895705,6.436192391330859,6.352143178090465,6.293645173364148,6.252218007680213,6.222858746806061,3.01,1.892412086479775,1.247762141172531,0.8455389172784878,0.5829283941743035,0.40667634089570387,0.2861923913308574,0.20214317809046367,0.14364517336414598,0.10221800768021094,0.07285874680605933,4.06,5.177587913520224,5.822237858827468,6.224461082721511,6.487071605825696,6.663323659104296,6.783807608669141,6.867856821909536,6.926354826635853,6.967781992319788,6.99714125319394,second
+273,5.93,90,4.612334485360474e+17,4.51,1.506297153514587,159.7,Branched,None,0,2.7738812152029424,2.192842568887357,3.34,2.840784244689772,2.8400016274471658,2.8399993822329916,2.8400008430257153,2.8400009780139617,2.840000142712003,2.8400002532090642,2.839999422078069,2.839999657063956,2.840000220577848,0.5,0.0007842446897724135,1.627447166022856e-06,-6.177670080098841e-07,8.430257157680173e-07,9.780139622039226e-07,1.4271200368884293e-07,2.532090643524464e-07,-5.77921930806083e-07,-3.4293604439188384e-07,2.205778474089194e-07,1.6,2.0992157553102277,2.099998372552834,2.1000006177670083,2.0999991569742846,2.0999990219860383,2.099999857287997,2.0999997467909357,2.100000577921931,2.100000342936044,2.099999779422152,second
+277,5.52,94,1.864901389531792e+17,3.23,1.172482137234565,192.9,Unknown,Acid,1,0.35009116588949973,0.2837792329612969,7.41,5.764816856330816,5.764721728842682,5.764691795789393,5.7647317726617535,5.764736778134529,5.764738127060071,5.764809149945541,5.764753439000209,5.764862107438898,5.764809156232549,0.86,0.03740842816540811,0.03736086442134098,0.037345897894696174,0.03736588633087669,0.03736838906726457,0.037369063530035426,0.03740457497277048,0.03737671950010405,0.03743105371944845,0.03740457811627419,0.71,1.5325915718345917,1.5326391355786588,1.5326541021053037,1.5326341136691233,1.5326316109327354,1.5326309364699646,1.5325954250272296,1.532623280499896,1.5325689462805514,1.5325954218837254,third
+272,7.32,94,4.519483660713174e+16,2.15,0.7654678421395714,178.3,Unknown,Enzyme,0,0.04006450537144933,0.03114267862321442,3.45,3.3411752804727715,3.2357832676049205,3.1337156763415845,3.034867362750751,2.939136980608444,2.8464264813885993,2.756640659656723,2.6696871530698916,2.5854764423767516,2.5039218514175197,4.48,4.48,4.48,4.48,4.48,4.48,4.48,4.48,4.48,4.48,4.48,3.79,3.79,3.79,3.79,3.79,3.79,3.79,3.79,3.79,3.79,3.79,first
+275,5.66,99,4.3035622671227494e+17,1.94,0.6626879730752367,127.5,Ring,Acid,0,0.06740289122103216,0.048934301177749835,4.91,4.856077687023175,4.802155374046349,4.748233061069524,4.694310748092698,4.640388435115872,4.586466122139046,4.53254380916222,4.4786214961853945,4.424699183208569,4.370776870231743,1.97,1.97,1.97,1.97,1.97,1.97,1.97,1.97,1.97,1.97,1.97,2.25,2.303922312976826,2.3578446259536516,2.4117669389304774,2.4656892519073033,2.519611564884129,2.573533877860955,2.6274561908377807,2.681378503814606,2.735300816791432,2.7892231297682577,zero
+275,6.84,93,2.83551559432927e+17,0.71,-0.342490308946776,131.4,Ring,Base,0,0.6126162452069992,0.364654795660256,2.92,1.9167049673071719,1.6365669463081813,1.525652388456867,1.4759329131069143,1.4524463517979236,1.4410692298604266,1.435476493015096,1.4327107034209723,1.4313451717569463,1.4306686308294445,1.49,0.48670496730717205,0.20656694630818168,0.09565238845686701,0.045932913106914566,0.022446351797924074,0.011069229860427092,0.005476493015096438,0.0027107034209726804,0.0013451717569466213,0.0006686308294448013,3.04,4.0432950326928285,4.323433053691818,4.434347611543132,4.484067086893085,4.507553648202076,4.518930770139573,4.524523506984903,4.527289296579028,4.528654828243054,4.5293313691705555,second
+274,8.06,90,2.3696783503897258e+17,0.78,-0.2484613592984996,154.4,Linear,Acid,0,1.6470478666948964,0.983745907613078,2.67,0.3556979167510807,0.21505496552413883,0.15685624829473946,0.12430674285605224,0.10341238290972457,0.08861851147163295,0.07764215040355602,0.06921944155010476,0.06242333119707804,0.05686017044895722,1.9,0.7428489583755402,0.6725274827620693,0.6434281241473696,0.6271533714280261,0.6167061914548622,0.6093092557358164,0.603821075201778,0.5996097207750524,0.5962116655985389,0.5934300852244785,3.47,4.62715104162446,4.69747251723793,4.72657187585263,4.742846628571974,4.753293808545138,4.760690744264184,4.766178924798222,4.770390279224948,4.773788334401461,4.776569914775521,third
+275,5.2,99,3.044583022051128e+17,2.61,0.959350221334602,112.8,Unknown,Base,1,0.04768461230744876,0.036571538872265136,6.95,3.4504543987466874,2.800922269313422,2.542553019312096,2.419790826289678,2.357472207296125,2.3234077668646105,2.3055905848211067,2.2956898369372927,2.290025150056434,2.287091116904775,3.38,1.630227199373343,1.3054611346567104,1.1762765096560475,1.1148954131448383,1.083736103648062,1.0667038834323046,1.0577952924105527,1.0528449184686457,1.0500125750282163,1.0485455584523868,4.78,6.529772800626658,6.85453886534329,6.983723490343953,7.045104586855162,7.076263896351939,7.093296116567696,7.102204707589448,7.107155081531355,7.109987424971784,7.111454441547614,third
+274,4.43,92,3.811150211349195e+17,0.56,-0.579818495252942,72.5,Unknown,Acid,0,1.1009925269771277,0.9717596767656759,3.97,2.162985056874484,2.0015698056700013,1.975510154787166,1.9709710313580875,1.970171214846359,1.970030490573002,1.9700056063421156,1.970001127221515,1.9700000774158146,1.9700001447535906,2.0,0.19298505687448364,0.03156980567000124,0.0055101547871658834,0.0009710313580872081,0.0001712148463586552,3.049057300149423e-05,5.606342115045488e-06,1.1272215145189812e-06,7.741581411017651e-08,1.4475358996743843e-07,2.3,4.107014943125516,4.268430194329998,4.2944898452128335,4.299028968641911,4.2998287851536405,4.299969509426997,4.299994393657885,4.2999988727784855,4.299999922584185,4.299999855246409,second
+276,3.71,92,1.7916526966809766e+17,1.65,0.5007752879124892,109.9,Ring,Enzyme,0,0.6935508434525378,0.3547055414371468,2.76,0.5389383387245252,0.3845197947520641,0.3150187065017799,0.27337213637947666,0.24464269817027762,0.2234440598472135,0.20710581100001918,0.1937512938458663,0.18267564708192638,0.17330508848408352,3.89,3.89,3.89,3.89,3.89,3.89,3.89,3.89,3.89,3.89,3.89,2.75,3.4903538870918247,3.541826735082645,3.5649937644994063,3.578875954540174,3.58845243394324,3.5955186467175952,3.60096472966666,3.605416235384711,3.609108117639358,3.612231637171972,third
+275,12.36,93,4.761745412933518e+17,3.27,1.184789984909162,169.7,Ring,Enzyme,0,1.0287803041312555,0.7291616956934918,3.31,0.23686501878329372,0.12857826420312007,0.08862427780327087,0.06767527691541983,0.054861710528708627,0.046064483895504355,0.039774393631760455,0.03497464398138652,0.03120089012853827,0.028165657138710214,3.74,2.203432509391648,2.149289132101561,2.129312138901636,2.118837638457711,2.112430855264355,2.108032241947753,2.104887196815881,2.1024873219906945,2.1006004450642703,2.0990828285693564,3.45,4.986567490608354,5.04071086789844,5.060687861098365,5.0711623615422905,5.077569144735646,5.081967758052248,5.085112803184121,5.087512678009308,5.089399554935731,5.090917171430646,third
+279,12.16,97,4.6957072317284346e+17,3.28,1.1878434223960523,73.8,Unknown,Base,0,0.3240520051654459,0.18365145604799007,8.74,0.8004338667100319,0.5668997302676606,0.46341694896816144,0.401195399603242,0.35916867703871896,0.3276834721572875,0.30346350890112006,0.28405223407638225,0.26776329800669557,0.2539759283983558,0.41,0.41,0.41,0.41,0.41,0.41,0.41,0.41,0.41,0.41,0.41,2.91,5.5565220444299905,5.634366756577447,5.668861017010614,5.689601533465587,5.703610440987095,5.714105509280905,5.722178830366294,5.728649255307873,5.734078900664436,5.738674690533882,third
+278,9.37,95,3.100027861309207e+17,0.69,-0.37106368139083207,192.5,Branched,Base,1,0.43727434646196556,0.2878936158071274,1.4,1.3134105278945223,1.3115393056108144,1.3145326391763337,1.3131597839882612,1.3122290462226602,1.314939983654813,1.3136221432674988,1.3116308243102008,1.3148714950982414,1.3135423136930944,1.76,1.76,1.76,1.76,1.76,1.76,1.76,1.76,1.76,1.76,1.76,3.41,3.438863157368493,3.439486898129729,3.4384891202745558,3.4389467386705803,3.439256984592447,3.4383533387817296,3.438792618910834,3.4394563918966,3.4383761683005862,3.4388192287689687,third
+277,10.76,90,3.375886482875039e+17,0.82,-0.19845093872383832,162.4,Branched,Acid,0,3.5994089098995854,2.706493022141649,1.28,0.03915978050240038,0.01998978446682187,0.013430134885813808,0.010112534529719407,0.008118427018841835,0.006770195969821815,0.005812544053897249,0.005093817329876746,0.004528844715035814,0.004076839993903628,4.89,4.269579890251198,4.259994892233409,4.256715067442904,4.255056267264858,4.254059213509419,4.253385097984909,4.252906272026947,4.252546908664936,4.2522644223575154,4.25203841999695,3.61,4.230420109748801,4.24000510776659,4.243284932557095,4.244943732735141,4.24594078649058,4.24661490201509,4.247093727973052,4.247453091335063,4.247735577642484,4.247961580003049,third
+274,11.52,91,2.0117460267226928e+17,3.18,1.1568811967920856,92.1,Linear,Enzyme,0,0.9014584515133879,0.563611608308935,2.02,0.9820471770471335,0.47732301277870953,0.2322041397160279,0.11308365281568618,0.054996542323408115,0.0267337265898657,0.013014051623734356,0.006338335805507588,0.003081373815043184,0.0014999114678204673,2.08,2.08,2.08,2.08,2.08,2.08,2.08,2.08,2.08,2.08,2.08,0.78,1.8179528229528665,2.3226769872212905,2.567795860283972,2.6869163471843134,2.745003457676592,2.773266273410134,2.7869859483762656,2.7936616641944925,2.796918626184957,2.7985000885321796,first
+272,8.42,99,3.350055276150632e+17,2.31,0.8372475245337022,127.9,Linear,Acid,0,0.03254562903590073,0.02048923715360963,6.95,6.22934990122157,6.006528907946877,5.9242264891993175,5.8918934404993335,5.87889752711825,5.8736259973293965,5.871479694622202,5.870604428377949,5.870246688883221,5.870100784244614,0.54,0.1796749506107853,0.06826445397343857,0.027113244599658852,0.010946720249666435,0.004448763559124619,0.0018129986646979635,0.0007398473111011486,0.00030221418897458764,0.000123344441610765,5.0392122307304585e-05,2.68,3.040325049389215,3.1517355460265617,3.1928867554003415,3.2090532797503335,3.2155512364408754,3.218187001335302,3.219260152688899,3.2196977858110256,3.2198766555583895,3.2199496078776932,third
+279,12.9,91,1.9867929308210685e+17,2.5,0.9162907318741551,191.0,Unknown,Base,0,1.8215138187389714,0.9322311624602008,3.59,0.8364889711176222,0.19518101905500043,0.04549623243383177,0.010617463722071495,0.002475266754515616,0.0005774447434828032,0.00013499767993709812,3.145759109810146e-05,7.399441675865909e-06,1.935153364864821e-06,4.29,4.29,4.29,4.29,4.29,4.29,4.29,4.29,4.29,4.29,4.29,4.88,7.633511028882378,8.274818980945,8.424503767566168,8.459382536277928,8.467524733245485,8.469422555256518,8.469865002320065,8.469968542408903,8.469992600558324,8.469998064846637,first
+275,3.73,91,2.354203015528646e+17,1.76,0.5653138090500605,141.6,Ring,Base,0,1.219838656940966,1.0940122524431637,2.22,0.4173366663546349,0.23046129292924758,0.15919458537715342,0.12154105298728321,0.09828054578760156,0.08252845316976001,0.07114499365781547,0.0624546100286194,0.05570751064923961,0.05028216530719368,3.65,3.65,3.65,3.65,3.65,3.65,3.65,3.65,3.65,3.65,3.65,0.79,1.6913316668226828,1.7847693535353764,1.8204027073114235,1.8392294735063586,1.8508597271061993,1.85873577341512,1.8644275031710922,1.8687726949856902,1.87214624467538,1.874858917346403,second
+270,11.91,99,4.203134506448238e+17,4.99,1.6074359097634274,143.2,Branched,Acid,1,0.029524340994038698,0.02362699701333809,5.83,2.477323058693386,1.9033678560071383,1.6546325067146173,1.5185644763531492,1.4385231382483796,1.3867382557275234,1.3538614588800397,1.331852733333533,1.3167063166635498,1.3064752537593196,1.39,1.39,1.39,1.39,1.39,1.39,1.39,1.39,1.39,1.39,1.39,1.13,2.247558980435538,2.4388773813309537,2.5217891644284607,2.5671451745489504,2.5938256205838734,2.6110872480908256,2.62204618037332,2.629382422222155,2.6344312277788164,2.6378415820802266,third
+272,12.78,91,2.296125161579477e+17,4.12,1.415853163361435,40.2,Ring,Enzyme,0,0.7670164587310346,0.49601800989523254,9.83,0.5216683856761783,0.3688920524492143,0.3013758428642757,0.2610659246332061,0.23349277260317744,0.2130876455780328,0.19742123822357266,0.1846633654105942,0.17406103606625498,0.16509778790197377,1.15,1.15,1.15,1.15,1.15,1.15,1.15,1.15,1.15,1.15,1.15,3.07,6.172777204774608,6.223702649183596,6.2462080523785755,6.259644691788933,6.268835742465608,6.275637451473989,6.28085958725881,6.285112211529803,6.28864632131125,6.291634070699343,third
+276,1.83,93,2.8417376137412294e+17,4.8,1.5686159179138452,172.0,Ring,Base,1,0.711452115271834,0.4237512139431734,1.34,0.35307629721660283,0.26393950434621494,0.2538328795785572,0.25264835898539306,0.25253285134057996,0.25257092379970836,0.2522238463537628,0.25287516645337776,0.25242661766270574,0.25261836963798284,4.03,3.043076297216603,2.953939504346215,2.9438328795785567,2.9426483589853927,2.9425328513405797,2.942570923799708,2.9422238463537624,2.9428751664533777,2.9424266176627056,2.942618369637983,0.16,1.1469237027833972,1.236060495653785,1.2461671204214428,1.247351641014607,1.24746714865942,1.2474290762002918,1.2477761536462373,1.2471248335466223,1.2475733823372945,1.2473816303620173,second
+271,8.32,99,3.352836209548701e+17,1.54,0.43178241642553783,64.8,Unknown,Enzyme,0,0.027713794328682553,0.02031606017275222,2.67,1.9200841643520528,1.5737866662654993,1.364818627225279,1.222587137646113,1.1174524380695907,1.0345419950052201,0.9682190636332996,0.9135981681152087,0.866917700596215,0.8265829846780423,0.71,0.71,0.71,0.71,0.71,0.71,0.71,0.71,0.71,0.71,0.71,0.92,1.1699719452159825,1.285404444578167,1.3550604575915737,1.4024709541179625,1.4375158539768031,1.4651526683315934,1.4872603121222336,1.5054672772949305,1.5210274331345952,1.534472338440653,third
+272,7.57,95,1.1072372395882256e+17,1.89,0.636576829071551,45.6,Unknown,Enzyme,0,0.06307621068780164,0.032881370919738154,9.21,9.159539031449759,9.109078062899517,9.058617094349277,9.008156125799035,8.957695157248795,8.907234188698553,8.85677322014831,8.80631225159807,8.755851283047829,8.705390314497587,2.19,2.19,2.19,2.19,2.19,2.19,2.19,2.19,2.19,2.19,2.19,0.09,0.14046096855024132,0.1909219371004826,0.24138290565072396,0.29184387420096525,0.34230484275120654,0.3927658113014479,0.44322677985168923,0.49368774840193047,0.5441487169521717,0.594609685502413,zero
+279,6.14,99,3.287246017451585e+17,4.95,1.599387576580599,137.4,Branched,Acid,0,0.09578346014945774,0.05403194144932388,1.89,1.8133732318804336,1.7367464637608676,1.6601196956413014,1.583492927521735,1.506866159402169,1.4302393912826028,1.3536126231630365,1.2769858550434705,1.2003590869239043,1.123732318804338,4.3,4.3,4.3,4.3,4.3,4.3,4.3,4.3,4.3,4.3,4.3,4.88,4.956626768119566,5.033253536239132,5.109880304358699,5.186507072478265,5.263133840597831,5.339760608717397,5.416387376836964,5.49301414495653,5.569640913076096,5.6462676811956625,zero
+274,5.8,95,2.725846014494223e+17,3.6,1.2809338454620642,119.1,Branched,Acid,0,0.21100699410119894,0.18293744313563948,6.27,6.101194404719041,5.9323888094380814,5.763583214157122,5.594777618876163,5.425972023595204,5.257166428314244,5.088360833033285,4.919555237752326,4.750749642471367,4.581944047190407,1.26,1.26,1.26,1.26,1.26,1.26,1.26,1.26,1.26,1.26,1.26,2.14,2.3088055952809596,2.4776111905619187,2.6464167858428778,2.815222381123837,2.9840279764047963,3.152833571685756,3.321639166966715,3.4904447622476744,3.6592503575286335,3.828055952809593,zero
+274,2.21,91,1.9084494216453104e+17,4.83,1.5748464676644813,98.4,Linear,Acid,1,0.8551714965882954,0.5503378310957289,8.28,5.126943077275198,4.102502019373505,3.770127602688984,3.662637879854129,3.6276301035490457,3.615340941423051,3.612615091186167,3.610366474104324,3.610838474708164,3.6105471575632677,1.24,1.24,1.24,1.24,1.24,1.24,1.24,1.24,1.24,1.24,1.24,0.94,4.093056922724802,5.117497980626495,5.449872397311015,5.557362120145871,5.592369896450954,5.6046590585769485,5.607384908813833,5.609633525895676,5.609161525291836,5.609452842436732,first
+275,8.69,97,3.832702143058507e+17,4.94,1.5973653311998313,171.1,Unknown,None,0,0.14396519696218402,0.07709486335037787,5.37,4.137657243157705,3.524071689853647,3.1667438860626276,2.940079798792895,2.7890119422600588,2.6838708725489595,2.6096930723315714,2.555727702564783,2.5163245173214595,2.4873027580680547,2.97,1.7376572431577044,1.1240716898536467,0.7667438860626276,0.5400797987928948,0.38901194226005864,0.2838708725489595,0.20969307233157167,0.15572770256478313,0.1163245173214598,0.08730275806805508,3.08,4.312342756842296,4.925928310146353,5.283256113937372,5.509920201207105,5.660988057739941,5.76612912745104,5.840306927668428,5.894272297435217,5.93367548267854,5.962697241931945,second
+274,6.01,95,4.073363741953177e+17,0.96,-0.040821994520255166,191.1,Ring,Acid,0,0.3153179726587865,0.16412647419568896,7.2,5.5947382936593275,4.3464647126732086,3.3768730069592845,2.625289046044403,2.040069315038166,1.5843647621551398,1.2315162791991736,0.9579208770109047,0.7443786719274715,0.578427640151422,1.63,1.63,1.63,1.63,1.63,1.63,1.63,1.63,1.63,1.63,1.63,0.72,2.3252617063406733,3.5735352873267923,4.543126993040715,5.294710953955597,5.879930684961834,6.33563523784486,6.688483720800827,6.9620791229890955,7.175621328072529,7.341572359848579,first
+270,13.1,99,2.306655608253685e+17,0.54,-0.616186139423817,55.1,Unknown,None,0,0.016202785475795296,0.008757433946690823,1.73,1.707720055676982,1.6857270454356548,1.6640172740163652,1.6425870932885067,1.6214329018448947,1.6005511468990814,1.5799383203873696,1.559590958500858,1.539505641685443,1.519678994641816,3.5,3.5,3.5,3.5,3.5,3.5,3.5,3.5,3.5,3.5,3.5,3.91,3.91,3.91,3.91,3.91,3.91,3.91,3.91,3.91,3.91,3.91,first
+276,2.77,97,3.4250620071197786e+17,4.31,1.4609379041156563,139.6,Ring,Enzyme,1,0.15003031733400804,0.09757383582003934,6.1,5.49670391199729,5.001643670620776,4.594977875212518,4.261981624361162,3.9896357243534117,3.7661920522400334,3.5821644001011927,3.431240222380443,3.3076332208546373,3.2062418779424484,2.24,2.24,2.24,2.24,2.24,2.24,2.24,2.24,2.24,2.24,2.24,0.86,1.4632960880027093,1.9583563293792234,2.3650221247874814,2.698018375638837,2.970364275646588,3.193807947759966,3.3778355998988068,3.5287597776195563,3.6523667791453622,3.753758122057551,first
+277,5.61,90,6.6666485242806136e+16,3.14,1.144222799920162,151.2,Unknown,Base,1,0.7108057163411675,0.46589439786600656,6.82,1.6105136724094173,1.6110821654492762,1.6109594750598524,1.6116646094795428,1.6116264691413513,1.6118910717540942,1.613317213876952,1.6138878498013138,1.6146452457516407,1.6142388938204335,0.11,0.11,0.11,0.11,0.11,0.11,0.11,0.11,0.11,0.11,0.11,4.66,6.396495442530196,6.396305944850242,6.396346841646716,6.396111796840152,6.396124510286216,6.396036309415302,6.395560928707683,6.395370716732895,6.39511825141612,6.395253702059856,third
+273,12.53,95,2.3380221474255e+17,0.77,-0.2613647641344075,167.5,Unknown,Acid,0,0.15534695493976833,0.11366157687838206,3.07,2.7112222440384723,2.3943755953653243,2.1143086870803254,1.866552094138829,1.647835264370938,1.4550656350597708,1.285298858946733,1.135738804231511,1.0037375545720808,0.8867954090846997,3.64,3.64,3.64,3.64,3.64,3.64,3.64,3.64,3.64,3.64,3.64,1.42,1.42,1.42,1.42,1.42,1.42,1.42,1.42,1.42,1.42,1.42,first
+270,11.89,91,5.21355398759642e+16,3.0,1.0986122886681098,93.8,Branched,Enzyme,0,0.1292676146268212,0.09625086465964328,6.83,1.862042594933047,1.2882763926518888,1.0248871498333911,0.8670641430110118,0.7580864449079989,0.6785202094009419,0.6166964720709988,0.5667509674741953,0.525678288909067,0.4910827636433593,3.81,1.3260212974665235,1.0391381963259443,0.9074435749166956,0.8285320715055059,0.7740432224539995,0.734260104700471,0.7033482360354995,0.6783754837370977,0.6578391444545335,0.6405413818216796,1.01,3.493978702533477,3.780861803674056,3.9125564250833045,3.9914679284944943,4.045956777546001,4.08573989529953,4.116651763964501,4.141624516262902,4.1621608555454666,4.17945861817832,third
+271,13.75,90,4.318261314049705e+17,2.13,0.7561219797213337,180.3,Linear,Base,1,1.9381392040989482,1.1636115525884156,5.51,1.7576631187686618,1.7580504375949182,1.7575924597643469,1.7586659980846067,1.7565117509316064,1.756809468228051,1.7587288049088106,1.7562311633453052,1.759000695107362,1.7585456170449123,0.32,0.32,0.32,0.32,0.32,0.32,0.32,0.32,0.32,0.32,0.32,3.27,5.14616844061567,5.1459747812025425,5.146203770117827,5.145667000957698,5.146744124534198,5.146595265885975,5.145635597545596,5.146884418327348,5.145499652446319,5.145727191477544,second
+271,2.41,93,4.42861481575399e+17,1.58,0.4574248470388755,51.0,Linear,Enzyme,0,0.5249039291895299,0.4189350810733792,5.88,0.6276813825132124,0.4453601437882172,0.3637681280520651,0.3152187082308692,0.28197208638047144,0.2576087812026752,0.23837779984528248,0.22297702687885274,0.21034719552984565,0.19961753062854815,4.73,4.73,4.73,4.73,4.73,4.73,4.73,4.73,4.73,4.73,4.73,3.67,5.420772872495596,5.48154661873726,5.5087439573159775,5.524927097256377,5.536009304539843,5.544130406265775,5.550540733384906,5.555674324373716,5.559884268156718,5.563460823123817,third
+277,13.3,100,2.0219648379554486e+17,0.77,-0.2613647641344075,104.7,Ring,Base,1,0.028042825438535184,0.01500862827570541,3.04,2.071399858364647,1.695154118832762,1.4911752058788965,1.363948809604202,1.2772149817490757,1.2165488231680477,1.171179293377851,1.1372835811361193,1.1119603145251726,1.0924248136679895,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,1.3,1.6228667138784512,1.7482819603890793,1.8162749313737012,1.8586837301319326,1.8875950060836413,1.907817058943984,1.9229402355407161,1.93423880628796,1.9426798951582758,1.9491917287773368,third
+271,11.22,95,3.400268826621823e+17,2.89,1.0612565021243408,99.8,Linear,Base,0,0.16588829664434734,0.11374943417072994,2.91,1.6460119300063756,1.2765059367608163,1.0826644708692608,0.9580274936684064,0.8698864872396179,0.8025591246615661,0.749733881701759,0.7066810236918839,0.6703516400251541,0.6393818056961417,1.4,0.7680059650031876,0.583252968380408,0.4863322354346302,0.42401374683420306,0.3799432436198088,0.3462795623307829,0.31986694085087936,0.2983405118459418,0.2801758200125769,0.2646909028480707,0.07,0.7019940349968122,0.8867470316195918,0.9836677645653695,1.0459862531657966,1.0900567563801908,1.123720437669217,1.1501330591491203,1.171659488154058,1.1898241799874227,1.2053090971519291,third
+270,11.98,92,2.031263475022238e+17,1.44,0.36464311358790924,153.3,Unknown,Enzyme,0,0.3225919324814987,0.20851951795105572,2.59,0.4485351237799306,0.2548378371270865,0.17898907538427164,0.13830389516552516,0.1127204356842324,0.09523303717582902,0.08237649305168707,0.07269366560098942,0.06503094972270602,0.05880211112295551,4.42,3.3492675618899646,3.2524189185635426,3.214494537692135,3.1941519475827613,3.181360217842115,3.1726165185879136,3.1661882465258424,3.161346832800494,3.157515474861352,3.1544010555614768,1.34,2.410732438110035,2.5075810814364567,2.5455054623078643,2.565848052417238,2.578639782157884,2.5873834814120857,2.593811753474157,2.5986531671995055,2.6024845251386473,2.6055989444385226,third
+273,2.09,97,3.289232219918492e+17,1.88,0.6312717768418578,181.3,Branched,Acid,1,0.09054479367031686,0.04638336445920636,7.88,7.435307228976888,7.036755210612436,6.679285394899177,6.358635070895708,6.071366502014136,5.814221031994771,5.584117345574096,5.378151468484768,5.1935967674556265,5.0279039502116785,4.4,4.4,4.4,4.4,4.4,4.4,4.4,4.4,4.4,4.4,4.4,2.73,3.1746927710231123,3.573244789387564,3.930714605100823,4.251364929104293,4.538633497985863,4.795778968005229,5.025882654425905,5.231848531515231,5.416403232544374,5.582096049788321,first
+279,6.93,91,2.901312941734899e+17,3.87,1.3532545070416904,86.8,Unknown,Acid,0,2.659955918844713,2.1892364760780136,1.12,0.07767702146527256,0.040747989968532884,0.027663261843696257,0.0209627169064656,0.01686682790592616,0.014118291027085299,0.012129280353334094,0.010648183237393775,0.009481603358783007,0.00854245535856436,3.28,2.758838510732636,2.740373994984266,2.733831630921848,2.7304813584532326,2.728433413952963,2.7270591455135422,2.726064640176667,2.7253240916186967,2.724740801679391,2.724271227679282,1.79,2.3111614892673638,2.329626005015734,2.336168369078152,2.3395186415467673,2.341566586047037,2.3429408544864576,2.343935359823333,2.344675908381303,2.345259198320609,2.345728772320718,third
+273,5.48,93,1.2357492240165104e+17,0.96,-0.040821994520255166,132.6,Branched,Acid,1,0.1981844823902861,0.11612489554515672,8.58,7.54640891094039,6.7423414620033135,6.115809857316771,5.630255971330703,5.254161366374302,4.960031418843847,4.730404646171473,4.552798895912852,4.415558252548458,4.308167699549857,0.71,0.71,0.71,0.71,0.71,0.71,0.71,0.71,0.71,0.71,0.71,2.06,3.0935910890596103,3.897658537996686,4.524190142683229,5.009744028669297,5.385838633625697,5.679968581156154,5.909595353828528,6.087201104087149,6.224441747451543,6.331832300450143,first
+275,2.17,100,2.6536004516179894e+17,4.32,1.463255402256019,91.9,Branched,Enzyme,0,0.026837061505456443,0.014977588624810054,9.2,2.6724747355809995,1.9300262728895345,1.5883732914157411,1.3796328260570274,1.237792247752141,1.1308904097319974,1.0480812383668154,0.9817941524423228,0.9262140602196441,0.8789221179962907,1.98,1.98,1.98,1.98,1.98,1.98,1.98,1.98,1.98,1.98,1.98,4.43,6.605841754806335,6.853324575703489,6.967208902861421,7.036789057980991,7.0840692507492875,7.119703196756002,7.147306253877729,7.169401949185893,7.187928646593453,7.203692627334571,third
+271,4.12,94,1.4734707892491437e+17,1.52,0.41871033485818504,71.5,Ring,Acid,0,0.11204661354409325,0.09536167358919707,1.78,1.6273876583251825,1.4878450744879164,1.360190002564464,1.2434665162018277,1.1367912815567591,1.0393270271179216,0.9502825437058885,0.868912684473144,0.7945183649040821,0.7264465628150081,1.6,1.6,1.6,1.6,1.6,1.6,1.6,1.6,1.6,1.6,1.6,0.2,0.35261234167481736,0.49215492551208356,0.6198099974355358,0.7365334837981723,0.8432087184432407,0.9406729728820783,1.0297174562941114,1.111087315526856,1.1854816350959179,1.253553437184992,first
+280,6.15,98,7.247949561188534e+16,3.15,1.1474024528375417,54.4,Linear,Acid,0,0.037794696559577755,0.028880156029422833,8.09,5.440769130774994,4.099688194519505,3.2880619007285232,2.742201716978565,2.355720398645688,2.0616585920766,1.8332503328732281,1.652033530562142,1.5028103509128001,1.3776166654489308,2.62,2.62,2.62,2.62,2.62,2.62,2.62,2.62,2.62,2.62,2.62,2.56,3.884615434612503,4.555155902740247,4.960969049635739,5.233899141510717,5.427139800677156,5.574170703961699,5.688374833563386,5.778983234718929,5.853594824543599,5.916191667275534,second
+276,10.29,100,3.8593295681719226e+17,0.82,-0.19845093872383832,191.8,Ring,Enzyme,0,0.045733466796647915,0.023865419648589067,4.06,3.1300720203489294,2.5476564758593616,2.1476304632907817,1.857984600315132,1.6350723977199755,1.4607492381897256,1.3210435206455329,1.204968902825897,1.1073362397586328,1.0243420694534604,2.44,2.44,2.44,2.44,2.44,2.44,2.44,2.44,2.44,2.44,2.44,1.28,1.7449639898255351,2.036171762070319,2.236184768354609,2.3810076998424337,2.492463801140012,2.579625380905137,2.6494782396772334,2.707515548587051,2.756331880120683,2.7978289652732693,second
+270,5.89,92,3.482620541563482e+17,2.22,0.7975071958841882,91.9,Ring,Acid,0,0.5530869355047245,0.4115224911802479,2.08,1.3361484272236346,0.8583591004830187,0.5510893003993429,0.3547370402549691,0.22768034568679754,0.14655341070279745,0.09406820333204538,0.060524840461994245,0.038895085068233456,0.024997051328320943,2.83,2.83,2.83,2.83,2.83,2.83,2.83,2.83,2.83,2.83,2.83,4.03,4.7738515727763655,5.251640899516982,5.558910699600657,5.755262959745032,5.8823196543132035,5.963446589297203,6.015931796667955,6.049475159538006,6.071104914931767,6.085002948671679,first
+279,4.63,93,3.415759194616943e+17,1.99,0.688134638736401,154.9,Linear,Base,1,1.3222443584328043,0.9773164467302947,5.09,3.9765018913520764,3.7990304334760427,3.7709890512875615,3.766049973513913,3.76548245132123,3.765875477682215,3.762849793792901,3.7649666168738194,3.7690756254166438,3.766455825672216,1.18,1.18,1.18,1.18,1.18,1.18,1.18,1.18,1.18,1.18,1.18,3.77,4.883498108647924,5.060969566523958,5.089010948712438,5.0939500264860875,5.094517548678771,5.094124522317785,5.0971502062070995,5.095033383126181,5.090924374583357,5.093544174327785,first
+276,7.37,91,3.332542311879414e+17,2.8,1.0296194171811581,30.7,Branched,Acid,1,1.9946326617559023,1.6016160399609014,7.73,2.3123280069869123,2.309893561146905,2.309919124919501,2.3115839530345843,2.3147271719196008,2.313068429529014,2.309942467024923,2.3085868969097616,2.3089976419018337,2.311510547143636,4.46,4.46,4.46,4.46,4.46,4.46,4.46,4.46,4.46,4.46,4.46,3.94,6.648835996506544,6.650053219426548,6.65004043754025,6.649208023482707,6.647636414040199,6.6484657852354925,6.650028766487538,6.6507065515451185,6.6505011790490824,6.649244726428183,second
+278,5.4,93,3.98969634719473e+17,1.19,0.17395330712343798,57.2,Unknown,Base,1,1.336997499001617,0.9971284719267411,4.34,1.0834147705882406,1.0824762986415735,1.083353388759685,1.0831653585482488,1.0831628578285377,1.0834153041994505,1.0832118721679773,1.08359982269773,1.0833592894422353,1.08344913622447,3.35,1.7217073852941205,1.7212381493207867,1.7216766943798425,1.7215826792741244,1.7215814289142692,1.7217076520997254,1.721605936083989,1.7217999113488651,1.721679644721118,1.7217245681122353,1.08,2.7082926147058792,2.7087618506792124,2.7083233056201563,2.7084173207258746,2.7084185710857303,2.7082923479002736,2.7083940639160105,2.7082000886511337,2.7083203552788815,2.708275431887764,third
+275,7.62,100,2.7517760737067046e+17,3.82,1.3402504226184837,58.4,Ring,Acid,1,0.027829955973319834,0.015623305848629662,4.84,4.746991952508481,4.657161559637274,4.570400062281283,4.486602353584848,4.405667755925016,4.327498728022477,4.252000775760082,4.17908245218284,4.108655357497922,4.040634139074655,4.43,4.43,4.43,4.43,4.43,4.43,4.43,4.43,4.43,4.43,4.43,1.05,1.1430080474915185,1.2328384403627262,1.3195999377187173,1.4033976464151516,1.4843322440749838,1.5625012719775226,1.637999224239918,1.7109175478171594,1.7813446425020782,1.8493658609253452,first
+273,10.39,97,2.6426109142776512e+17,4.63,1.5325568680981427,38.8,Linear,Acid,0,0.07274483648044971,0.041481627502135694,1.45,1.2405891344310633,1.0841403013298008,0.9622096462001788,0.8652347480530976,0.7871137328580766,0.722296179886031,0.6664162108495879,0.6184429637210401,0.5769375230213081,0.5406438683677259,1.75,1.75,1.75,1.75,1.75,1.75,1.75,1.75,1.75,1.75,1.75,4.14,4.2447054327844675,4.322929849335099,4.38389517689991,4.4323826259734505,4.47144313357096,4.503851910056984,4.531791894575204,4.555778518139479,4.576531238489345,4.594678065816136,second
+279,10.22,90,2.882056800060251e+17,2.65,0.9745596399981308,127.7,Ring,Enzyme,0,4.066399972568982,3.5018347484606314,3.87,0.6168800219448132,-2.6362399561103724,-5.88935993416556,-9.142479912220745,-12.39559989027593,-15.64871986833112,-18.901839846386306,-22.15495982444149,-25.408079802496673,-28.66119978055186,3.47,3.47,3.47,3.47,3.47,3.47,3.47,3.47,3.47,3.47,3.47,4.48,7.733119978055187,10.986239956110373,14.23935993416556,17.492479912220745,20.74559989027593,23.998719868331122,27.251839846386307,30.504959824441492,33.758079802496674,37.01119978055186,zero
+275,7.28,96,3.042052118961461e+17,4.61,1.5282278570085572,145.0,Linear,Base,1,0.1769579597366434,0.11266507983841606,9.82,1.5122939043885604,1.44775555230789,1.4438867936882112,1.4436922938791115,1.4427841550630442,1.4425584865020222,1.4436797496660194,1.4448815635408438,1.444205089999931,1.4435931938546165,4.61,4.61,4.61,4.61,4.61,4.61,4.61,4.61,4.61,4.61,4.61,1.93,4.699235365203812,4.720748149230702,4.7220377354372625,4.722102568706962,4.722405281645652,4.722480504499326,4.722106750111327,4.721706145486385,4.721931636666689,4.722135602048461,third
+278,13.24,95,6.618792795030174e+16,1.32,0.27763173659827955,129.8,Ring,None,0,0.0933613639392161,0.06463366257318917,5.07,1.4359060787449776,1.0357935960498705,0.8521386152741401,0.7402255579247639,0.6638780433312743,0.6064869641898109,0.5622347953311959,0.526608181664216,0.4966625008457498,0.47129648519387357,0.75,0.75,0.75,0.75,0.75,0.75,0.75,0.75,0.75,0.75,0.75,2.22,3.4313646404183413,3.5647354679833767,3.6259537949086202,3.6632581473584125,3.6887073188895756,3.7078376786033966,3.7225884015562682,3.734463939445262,3.7444458330514174,3.752901171602043,third
+272,11.21,92,4.574736555751713e+17,4.45,1.4929040961781488,167.9,Branched,Enzyme,0,0.982039963328041,0.7541649383503537,8.11,7.511532354033211,7.510004131941794,7.510000276187265,7.509999496755757,7.509999478441102,7.510001723757447,7.510000720059574,7.509999887502346,7.509998963764449,7.510000868061394,0.6,0.001532354033211472,4.131941794452345e-06,2.761872648100015e-07,-5.032442424175884e-07,-5.215588976138356e-07,1.723757446789037e-06,7.200595743628317e-07,-1.1249765352396107e-07,-1.0362355498501822e-06,8.680613949795474e-07,2.35,2.9484676459667893,2.9499958680582066,2.949999723812736,2.9500005032442433,2.9500005215588985,2.949998276242554,2.949999279940427,2.950000112497655,2.9500010362355513,2.9499991319386063,second
+279,1.44,97,2.620929750727915e+17,0.74,-0.3011050927839216,41.4,Unknown,None,0,0.18087105929057876,0.14161534297776543,2.89,2.5006709671172356,2.1637935032209636,1.8718264401620723,1.6189163481668798,1.400426102902828,1.2119655757041905,1.0493916335720728,0.9088081391744101,0.7866216234590611,0.6806515987379234,4.42,4.42,4.42,4.42,4.42,4.42,4.42,4.42,4.42,4.42,4.42,2.6,2.9893290328827646,3.3262064967790366,3.6181735598379277,3.8710836518331204,4.089573897097172,4.27803442429581,4.440608366427927,4.58119186082559,4.70337837654094,4.809348401262077,first
+275,13.0,91,4.17939856382433e+17,2.97,1.0885619528146082,180.4,Linear,Enzyme,1,2.1655702151802965,1.674494956954681,9.19,5.752416802543001,5.59321813343563,5.586338682705914,5.585111664987793,5.582515519046822,5.581557183316804,5.590758650203694,5.587847693311448,5.58602034802229,5.588234481657578,1.91,1.91,1.91,1.91,1.91,1.91,1.91,1.91,1.91,1.91,1.91,3.62,7.057583197456998,7.216781866564369,7.223661317294085,7.2248883350122055,7.227484480953176,7.228442816683195,7.219241349796305,7.2221523066885505,7.223979651977709,7.221765518342421,first
+277,13.49,90,3.086732565381018e+16,4.35,1.4701758451005926,153.8,Ring,Acid,0,0.32911096847212623,0.29003213283621143,5.61,4.0859007801525475,3.6815295465962476,3.5398907542882827,3.4857297853991063,3.464331495963927,3.455768508917422,3.4523249181465028,3.450937458492498,3.45037803643791,3.4501529244329596,2.16,0.6359007801525469,0.23152954659624714,0.08989075428828204,0.035729785399105776,0.014331495963926567,0.005768508917421322,0.0023249181465024404,0.0009374584924973636,0.00037803643790975766,0.00015292443295930656,2.07,3.594099219847453,3.998470453403753,4.140109245711718,4.194270214600894,4.215668504036073,4.22423149108258,4.227675081853498,4.229062541507503,4.22962196356209,4.229847075567041,second
+276,11.95,92,3.521903538968278e+16,1.65,0.5007752879124892,35.0,Branched,Acid,0,0.13633329576289316,0.10875354212445885,4.03,2.1545778570870917,1.4667884485502882,1.1129256211406102,0.8953775654765517,0.7502191148512485,0.6446649399011339,0.5653076405852244,0.5039043739467963,0.4541207342240968,0.41319127322251753,0.8,0.8,0.8,0.8,0.8,0.8,0.8,0.8,0.8,0.8,0.8,3.1,4.037711071456455,4.381605775724856,4.558537189429695,4.667311217261725,4.739890442574376,4.7926675300494335,4.832346179707388,4.863047813026602,4.887939632887952,4.908404363388741,second
+272,3.7,91,1.2735578386882366e+17,4.5,1.5040773967762742,23.3,Branched,Base,0,0.42542969336560255,0.22989425943129918,7.65,5.33793065580347,5.0585174716725145,5.010590099927101,5.001933568911392,5.000353174100733,5.0000644634560665,5.000011664050789,5.000002044611551,5.000000428292347,5.00000019276196,2.65,0.3379306558034705,0.05851747167251504,0.010590099927100569,0.0019335689113909823,0.00035317410073254567,6.446345606632743e-05,1.1664050788531286e-05,2.044611549653375e-06,4.282923459628153e-07,1.9276195860173956e-07,0.99,3.3020693441965294,3.581482528327485,3.6294099000728997,3.6380664310886095,3.639646825899268,3.639935536543934,3.639988335949212,3.639997955388451,3.6399995717076545,3.639999807238042,second
+279,12.93,98,1.699340481786149e+17,2.2,0.7884573603642703,38.6,Linear,Acid,1,0.07620200719144768,0.055744650026211984,3.89,3.4345416964321505,3.1299010996340755,2.9173039088504282,2.7668513510857236,2.6566454253507477,2.5747499713098523,2.514289422358628,2.4689680716952958,2.4343082936775238,2.408024618117617,2.82,2.36454169643215,2.059901099634075,1.847303908850428,1.6968513510857233,1.5866454253507478,1.5047499713098524,1.4442894223586278,1.3989680716952957,1.364308293677524,1.338024618117617,2.41,2.86545830356785,3.1700989003659243,3.3826960911495716,3.5331486489142763,3.643354574649252,3.7252500286901475,3.785710577641372,3.831031928304704,3.865691706322476,3.891975381882383,second
+272,13.54,93,2.6611052750744342e+17,1.04,0.03922071315328133,47.5,Ring,None,0,0.3670955113398404,0.289900172312743,4.34,2.2159027665264484,2.0300718716805997,1.9816732161527988,1.9669145824609993,1.962228442278035,1.9607206471706027,1.9602332253508512,1.9600754443059436,1.9600248039130035,1.9600082139913713,1.19,0.1279513832632243,0.03503593584029985,0.010836608076399532,0.0034572912304997464,0.0011142211390175831,0.0003603235853015225,0.00011661267542579445,3.772215297192967e-05,1.2401956501900842e-05,4.106995685697846e-06,2.37,3.4320486167367754,3.5249640641596995,3.5491633919235994,3.5565427087694994,3.5588857788609816,3.559639676414698,3.5598833873245734,3.5599622778470272,3.5599875980434974,3.5599958930043134,third
+279,8.97,92,2.6106562946995165e+17,1.95,0.6678293725756554,67.3,Linear,Enzyme,0,1.5552559413913143,1.3496808589848148,9.14,0.3663712163878777,0.25923951820426444,0.21161797929159293,0.18340412091865813,0.16393443895069656,0.14976212148452117,0.13863310725221986,0.12964016147484214,0.12222610636530941,0.11594960166567103,1.58,1.58,1.58,1.58,1.58,1.58,1.58,1.58,1.58,1.58,1.58,2.0,4.924542927870707,4.960253493931912,4.976127340236136,4.985531959693781,4.992021853683101,4.99674595950516,5.000455630915927,5.003453279508387,5.005924631211564,5.008016799444777,third
+270,2.95,95,2.7848583018549805e+17,1.17,0.1570037488096647,188.9,Branched,Enzyme,1,0.11622096964417783,0.07477441870255618,2.34,1.5831906037391024,1.4224341057067729,1.3763891222220066,1.3622480432804658,1.3582490148466158,1.3564230376460318,1.356382173065269,1.3557526732584566,1.3560392330807711,1.3561613606121197,2.33,1.9515953018695513,1.8712170528533865,1.8481945611110036,1.841124021640233,1.8391245074233078,1.838211518823016,1.8381910865326345,1.8378763366292283,1.8380196165403857,1.83808068030606,4.76,5.138404698130448,5.218782947146613,5.2418054388889965,5.248875978359767,5.250875492576692,5.251788481176984,5.2518089134673644,5.252123663370771,5.251980383459614,5.25191931969394,third
+273,7.7,100,4.993652418606566e+17,2.34,0.85015092936961,26.2,Unknown,Enzyme,0,0.03665721724173879,0.02879756133768093,3.5,3.0582597909760856,2.7031464193539625,2.412092236174255,2.170102570829924,1.9652193180006308,1.788873000927148,1.6361848782446358,1.5029989148224652,1.3858161017884476,1.2818162020501769,4.83,4.388259790976085,4.033146419353963,3.7420922361742552,3.5001025708299243,3.2952193180006306,3.118873000927148,2.966184878244636,2.832998914822465,2.7158161017884477,2.6118162020501767,0.23,0.6717402090239146,1.0268535806460375,1.3179077638257448,1.559897429170076,1.7647806819993694,1.9411269990728521,2.093815121755364,2.2270010851775353,2.3441838982115524,2.4481837979498233,second
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+279,11.53,90,3.854053577043997e+16,0.68,-0.3856624808119846,65.4,Branched,Acid,1,0.5437825985817998,0.40374199457725357,4.69,3.5761670841282673,3.0548578596477887,2.8108362249295316,2.6962433824201413,2.642217082618253,2.6175477469503754,2.6053126597551177,2.599901086455355,2.5976290725375795,2.5962126095503946,2.63,2.63,2.63,2.63,2.63,2.63,2.63,2.63,2.63,2.63,2.63,1.4,2.513832915871733,3.0351421403522116,3.2791637750704687,3.393756617579859,3.447782917381747,3.472452253049625,3.4846873402448826,3.4900989135446454,3.492370927462421,3.4937873904496057,first
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+279,10.95,90,2.1464102774398324e+16,1.03,0.02955880224154443,123.8,Linear,Enzyme,1,0.30284492287315956,0.17167918554789754,5.47,3.3212678732585874,2.8575619421357987,2.7205285496182703,2.676646764207151,2.661775979992148,2.6569468790100523,2.655478955988588,2.654775478304035,2.6545765859260095,2.654791248301005,4.13,1.9812678732585876,1.5175619421357989,1.3805285496182707,1.3366467642071511,1.321775979992148,1.3169468790100525,1.315478955988588,1.3147754783040353,1.31457658592601,1.3147912483010056,3.34,5.488732126741412,5.9524380578642,6.089471450381729,6.133353235792848,6.148224020007851,6.153053120989947,6.154521044011411,6.155224521695964,6.155423414073989,6.155208751698994,second
+279,13.16,90,4.0234991709434714e+17,4.51,1.506297153514587,107.2,Ring,Base,0,5.6769030083008145,3.60676685037631,2.82,0.10650957428708675,0.05422785994116842,0.03637937248600738,0.027355769665340483,0.021951023723791808,0.018295031451207304,0.015710417640291803,0.013754361318577237,0.012227334262796832,0.011006130188137241,4.95,4.95,4.95,4.95,4.95,4.95,4.95,4.95,4.95,4.95,4.95,4.5,5.856745212856458,5.882886070029416,5.891810313756997,5.8963221151673295,5.899024488138105,5.900852484274397,5.902144791179855,5.9031228193407115,5.903886332868602,5.904496934905931,second
+273,9.01,96,5.192976234336884e+16,3.78,1.3297240096314962,155.9,Ring,Base,0,0.022208942048377808,0.019566797765503994,4.31,4.292232846361297,4.274465692722595,4.256698539083893,4.23893138544519,4.221164231806489,4.203397078167786,4.185629924529084,4.167862770890381,4.150095617251679,4.132328463612977,0.02,0.02,0.02,0.02,0.02,0.02,0.02,0.02,0.02,0.02,0.02,0.76,0.7777671536387022,0.7955343072774045,0.8133014609161068,0.831068614554809,0.8488357681935113,0.8666029218322135,0.8843700754709157,0.902137229109618,0.9199043827483202,0.9376715363870225,zero
+275,8.34,92,4.197689712330659e+17,2.6,0.9555114450274363,92.2,Linear,Acid,0,1.4044872716735521,0.9339992528118026,9.77,0.42740824108222825,0.218319479853435,0.14662720026156228,0.11046321895195138,0.08852993168558451,0.07391632021341567,0.06337697935813662,0.05555149060900959,0.04940621239712326,0.04446917167848718,0.61,0.61,0.61,0.61,0.61,0.61,0.61,0.61,0.61,0.61,0.61,3.75,8.421295879458885,8.525840260073283,8.561686399869219,8.579768390524023,8.590735034157206,8.598041839893291,8.60331151032093,8.607224254695494,8.610296893801436,8.612765414160755,second
+272,5.49,90,3.48595729630418e+17,0.71,-0.342490308946776,55.3,Ring,Enzyme,0,1.812079476672563,1.1888934616860496,2.17,0.8046244025381144,0.6181640367728345,0.556569191168034,0.5312412648152485,0.5199341877158279,0.5147024171952579,0.5122381907329028,0.5110660294831316,0.5105083366087763,0.5102433721793148,1.66,0.29462440253811434,0.10816403677283443,0.04656919116803403,0.021241264815248337,0.009934187715827804,0.004702417195257829,0.0022381907329027412,0.00106602948313156,0.0005083366087762643,0.000243372179314791,3.92,5.285375597461885,5.471835963227165,5.533430808831965,5.558758735184751,5.570065812284171,5.575297582804741,5.577761809267097,5.578933970516868,5.579491663391223,5.579756627820684,second
+276,4.18,98,3.8072637229631315e+17,2.38,0.8671004876833833,175.6,Ring,None,1,0.10786008863017235,0.05865881543699462,9.26,8.5775047717972,8.293396451691697,8.167885568465422,8.111505829535657,8.085623646979426,8.073756642968222,8.068427443936903,8.065839694413073,8.064733597974714,8.06425011288894,1.6,0.917504771797201,0.6333964516916989,0.5078855684654242,0.4515058295356585,0.42562364697942795,0.4137566429682221,0.4084274439369036,0.40583969441307216,0.4047335979747132,0.4042501128889399,4.79,5.472495228202799,5.756603548308301,5.882114431534575,5.938494170464341,5.964376353020572,5.976243357031777,5.981572556063096,5.9841603055869275,5.985266402025286,5.98574988711106,second
+279,2.04,96,3.5233384058273564e+16,3.59,1.2781522025001875,166.1,Linear,Enzyme,0,0.03741930811349064,0.025124051531354177,5.33,5.172808602786203,5.02025307086791,4.872196630651583,4.728506251816338,4.589053578768962,4.453713925148344,4.322366012412656,4.194891969839356,4.071177334525182,3.9511110513861603,2.92,2.92,2.92,2.92,2.92,2.92,2.92,2.92,2.92,2.92,2.92,3.85,4.007191397213797,4.15974692913209,4.3078033693484175,4.451493748183663,4.590946421231038,4.726286074851656,4.857633987587344,4.985108030160645,5.108822665474818,5.22888894861384,first
+274,12.01,97,1.9865419070646947e+17,3.32,1.199964782928397,131.6,Linear,None,1,0.06391528772669769,0.044088083468284446,1.89,1.8420196726224367,1.7980110525162802,1.7576444241275553,1.7206092818743663,1.6866383207527165,1.6554861153618168,1.626921750737085,1.6007288223501432,1.5767054361088206,1.5546642083571516,3.16,3.16,3.16,3.16,3.16,3.16,3.16,3.16,3.16,3.16,3.16,1.32,1.3679803273775633,1.4119889474837197,1.4523555758724447,1.4893907181256336,1.5233616792472835,1.5545138846381832,1.583078249262915,1.6092711776498567,1.6332945638911793,1.6553357916428484,first
+278,11.35,100,3.489711332655515e+17,4.47,1.4973884086254774,192.9,Ring,Enzyme,0,0.056581184187806666,0.03160810230875131,5.9,5.638890914789035,5.389337451354622,5.1508270581100835,4.922868281661986,4.704998651637612,4.4967742073272445,4.297768294398955,4.107571564898597,3.9257919772498187,3.7520547962540483,4.17,4.17,4.17,4.17,4.17,4.17,4.17,4.17,4.17,4.17,4.17,4.5,4.761109085210966,5.010662548645378,5.249172941889917,5.477131718338014,5.695001348362388,5.903225792672756,6.102231705601046,6.292428435101403,6.474208022750181,6.647945203745952,first
+273,11.4,98,4.953485848954544e+17,0.89,-0.11653381625595151,195.6,Branched,Acid,1,0.08776821908355507,0.056033490110690906,2.68,1.98759273091407,1.6140788942959527,1.3888176941993042,1.2424506807775644,1.1449683447960695,1.0767431658787299,1.0285219757662398,0.994517514684987,0.9696110449231006,0.9513573400415022,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.38,0.7262036345429651,0.9129605528520237,1.0255911529003479,1.098774659611218,1.1475158276019655,1.1816284170606353,1.2057390121168803,1.2227412426575066,1.23519447753845,1.2443213299792493,second
+275,3.54,96,3.983087159388105e+17,3.64,1.2919836816486494,35.3,Unknown,Enzyme,0,0.23169852113486128,0.18662755592743616,1.78,1.594641183092111,1.4092823661842218,1.2239235492763327,1.0385647323684437,0.8532059154605547,0.6678470985526653,0.4824882816447762,0.29712946473688695,0.11177064782899815,-0.07358816907889154,2.18,2.18,2.18,2.18,2.18,2.18,2.18,2.18,2.18,2.18,2.18,1.81,1.9953588169078893,2.1807176338157785,2.3660764507236673,2.5514352676315566,2.7367940845394454,2.9221529014473346,3.107511718355224,3.292870535263113,3.478229352171002,3.6635881690788916,zero
+274,6.69,95,4.484391187958435e+16,4.72,1.5518087995974639,70.5,Unknown,Acid,1,0.03471354947834745,0.0282954565368606,4.88,4.553220832459474,4.293340968929657,4.082963897472437,3.9113595196825726,3.7710434224519584,3.6551882802177356,3.5576228854218725,3.4747075254690634,3.4046705952118494,3.345265858618015,3.18,2.853220832459474,2.5933409689296574,2.382963897472438,2.211359519682573,2.0710434224519587,1.9551882802177358,1.8576228854218728,1.7747075254690636,1.70467059521185,1.6452658586180156,2.8,3.1267791675405254,3.3866590310703426,3.5970361025275626,3.768640480317427,3.9089565775480413,4.024811719782264,4.122377114578128,4.205292474530936,4.275329404788151,4.334734141381984,second
+276,8.06,98,2.181340293648812e+17,1.96,0.6729444732424258,26.8,Linear,Acid,1,0.06179754661765663,0.040587237929035194,3.45,3.116404493555718,2.964367995048667,2.885295117455318,2.8420610720263126,2.818167741130948,2.8043539081413935,2.7967292390047533,2.7920564221601136,2.789491340535793,2.7881010726837347,0.57,0.4032022467778587,0.32718399752433347,0.28764755872765885,0.2660305360131561,0.2540838705654737,0.24717695407069656,0.24336461950237645,0.24102821108005656,0.23974567026789606,0.23905053634186693,2.48,2.6467977532221414,2.7228160024756667,2.7623524412723417,2.7839694639868444,2.7959161294345267,2.802823045929304,2.806635380497624,2.8089717889199437,2.8102543297321043,2.8109494636581336,third
+280,4.01,99,2.1256656799849165e+17,2.69,0.9895411936137477,195.5,Unknown,Enzyme,1,0.07213593041041502,0.056271227173488134,6.21,3.907236945568504,3.5160488279335396,3.3893329311392653,3.3420620594824797,3.323655452672261,3.3166018575784033,3.313462008204626,3.3125070580010876,3.311933110080422,3.3117458470545484,1.76,0.6086184727842515,0.41302441396676937,0.34966646556963227,0.32603102974123954,0.31682772633613027,0.31330092878920135,0.3117310041023128,0.3112535290005434,0.31096655504021076,0.31087292352727397,2.92,4.071381527215748,4.266975586033231,4.330333534430368,4.35396897025876,4.363172273663869,4.366699071210799,4.3682689958976875,4.368746470999456,4.369033444959789,4.369127076472726,third
+276,2.1,98,3.953408654111435e+17,2.04,0.712949807856125,179.5,Ring,Acid,1,0.11200038632781599,0.06872849122276689,8.84,6.107828830611907,6.065402000778306,6.064133110950341,6.064068543259821,6.063990741710717,6.064018805711035,6.064033359249363,6.064031990341716,6.064032425684976,6.064142832677801,1.46,0.09391441530595297,0.07270100038915195,0.07206655547516978,0.07203427162990927,0.07199537085535743,0.0720094028555162,0.07201667962468004,0.07201599517085702,0.07201621284248706,0.07207141633889928,2.93,4.2960855846940476,4.317298999610849,4.317933444524831,4.317965728370092,4.318004629144643,4.317990597144485,4.317983320375321,4.317984004829144,4.317983787157513,4.317928583661102,third
+279,4.12,100,4.097000376831584e+16,3.6,1.2809338454620642,170.4,Branched,Acid,0,0.007757050592133587,0.003956274264678719,8.42,8.367910299348766,8.316142847740739,8.264695651608058,8.213566729636428,8.16275411280911,8.11225584453175,8.062069980156062,8.012194586955948,7.962627744127507,7.913367542789029,1.18,1.18,1.18,1.18,1.18,1.18,1.18,1.18,1.18,1.18,1.18,3.34,3.392089700651234,3.443857152259261,3.495304348391941,3.546433270363571,3.5972458871908906,3.6477441554682493,3.6979300198439375,3.7478054130440515,3.797372255872493,3.846632457210971,first
+278,7.01,100,2.5272838132488115e+17,4.62,1.5303947050936475,135.4,Branched,Enzyme,0,0.04097665889845372,0.035692960691328546,8.44,2.1814638465209018,1.5686936799302453,1.2887424760995856,1.1197470862803234,1.0030843565342877,0.9165583183430814,0.8498755222646256,0.7954094994376865,0.7501120001713675,0.7117657355308286,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,0.18,2.2661787178263655,2.4704354400232513,2.563752507966804,2.620084304573225,2.6589718811552374,2.6878138938856395,2.710041492578458,2.7281968335207707,2.743295999942877,2.75607808815639,third
+274,7.41,93,3.02222693506868e+17,3.69,1.3056264580524357,66.9,Branched,None,0,0.5628739103436963,0.349446962220276,7.15,5.456617249221458,5.341256899761543,5.3310235564249036,5.330093128686233,5.330008680146943,5.330000866523679,5.330000181773042,5.330000219124193,5.329998873674284,5.3300013306415694,1.82,0.12661724922145723,0.011256899761542705,0.0010235564249034131,9.312868623295706e-05,8.680146942646498e-06,8.665236778432917e-07,1.8177304098358446e-07,2.1912419185353374e-07,-1.1263257172852188e-06,1.3306415686359094e-06,2.42,4.113382750778543,4.228743100238457,4.238976443575097,4.239906871313767,4.239991319853058,4.239999133476322,4.239999818226958,4.239999780875808,4.2400011263257165,4.239998669358431,second
+280,4.63,96,2.6855563742799728e+17,1.12,0.11332868530700327,192.9,Unknown,Acid,1,0.33064961456359143,0.17892074949756587,6.77,1.9601702141035795,1.6436760285192358,1.5968708918602235,1.58940542485784,1.5883887188766515,1.588386355038959,1.5872261640011043,1.5887337095595042,1.588363466730621,1.5885306285441443,4.33,4.33,4.33,4.33,4.33,4.33,4.33,4.33,4.33,4.33,4.33,2.07,4.47491489294821,4.633161985740381,4.656564554069887,4.66029728757108,4.660805640561673,4.660806822480519,4.6613869179994465,4.660633145220247,4.6608182666346885,4.660734685727927,second
+279,6.44,100,1.153056909789908e+17,1.64,0.494696241836107,188.1,Branched,None,0,0.02183138872876214,0.01339920426913587,7.01,6.99253488901699,6.97506977803398,6.957604667050971,6.940139556067961,6.922674445084951,6.905209334101942,6.887744223118932,6.870279112135922,6.852814001152912,6.835348890169903,3.15,3.15,3.15,3.15,3.15,3.15,3.15,3.15,3.15,3.15,3.15,0.55,0.5674651109830098,0.5849302219660194,0.6023953329490291,0.6198604439320389,0.6373255549150486,0.6547906658980583,0.6722557768810681,0.6897208878640777,0.7071859988470875,0.7246511098300972,zero
+277,6.44,100,2.8101776505095517e+17,3.58,1.275362800412609,189.2,Linear,Base,1,0.038974624991104156,0.023838329281606865,8.03,3.4321581195129043,2.579561071349437,2.2004374112997143,1.9888802375267278,1.8605984913438394,1.7762203763260824,1.7207456286405762,1.682317053435051,1.6554242247535988,1.6366453433075638,4.4,2.1010790597564526,1.6747805356747192,1.4852187056498578,1.3794401187633647,1.3152992456719204,1.273110188163042,1.2453728143202887,1.2261585267175261,1.2127121123768003,1.2033226716537826,1.66,3.958920940243548,4.3852194643252815,4.574781294350143,4.680559881236635,4.74470075432808,4.786889811836959,4.814627185679711,4.833841473282475,4.8472878876232,4.856677328346218,third
+275,7.84,96,2.7780141476167725e+17,4.24,1.4445632692438664,149.6,Linear,Base,0,0.1615987157542919,0.1357680465767121,1.13,0.760175397209391,0.5835083327926308,0.47677795728877925,0.4047535469518056,0.3531100242270842,0.31321972629812367,0.28192034417427814,0.25675351976233574,0.23576069824594717,0.21797796599583016,1.79,1.6050876986046956,1.5167541663963156,1.4633889786443897,1.4273767734759029,1.4015550121135423,1.3816098631490619,1.3659601720871393,1.353376759881168,1.3428803491229737,1.333988982997915,3.44,3.6249123013953044,3.7132458336036844,3.7666110213556103,3.8026232265240973,3.828444987886458,3.848390136850938,3.864039827912861,3.876623240118832,3.8871196508770263,3.8960110170020847,third
+274,11.2,90,1.0304392373655547e+17,2.36,0.8586616190375187,170.3,Ring,Enzyme,1,0.7162080656990972,0.4406455812498828,6.41,1.3005494957886334,1.2996671181043573,1.3015249994263542,1.3008791842485485,1.299296645763051,1.300523089604207,1.3017915197180594,1.2999947881410157,1.2994170809055077,1.3015319926528175,2.02,2.02,2.02,2.02,2.02,2.02,2.02,2.02,2.02,2.02,2.02,1.87,3.5731501680704554,3.573444293965214,3.572825000191215,3.5730402719171503,3.5735677847456495,3.5731589701319306,3.57273616009398,3.573335070619661,3.5735276396981637,3.5728226691157268,third
+277,1.13,100,3.528703330314536e+17,0.74,-0.3011050927839216,182.2,Branched,None,1,0.04893992697541095,0.026957644817603505,3.38,3.268971133963561,3.1644831736016217,3.0661466867053657,2.973598106248382,2.8865039452582906,2.804546358582058,2.7274229043921223,2.6548465441863964,2.5865456427882663,2.522263968346591,3.81,3.81,3.81,3.81,3.81,3.81,3.81,3.81,3.81,3.81,3.81,0.83,0.9410288660364385,1.0455168263983783,1.1438533132946345,1.2364018937516181,1.3234960547417092,1.4054536414179422,1.4825770956078776,1.5551534558136033,1.6234543572117335,1.687736031653409,first
+273,12.63,91,2.6763011771012e+17,2.97,1.0885619528146082,103.4,Ring,Base,0,1.0359992995015512,0.7765778648581942,4.5,1.3054342107966133,0.9252463154548729,0.7914659626327999,0.7302601481350706,0.6989121307145288,0.6820030434914514,0.6725697048617232,0.6672135682963296,0.6641639473854749,0.6624032501619718,3.84,0.6454342107966131,0.26524631545487276,0.13146596263279978,0.07026014813507048,0.03891213071452872,0.022003043491451234,0.01256970486172299,0.007213568296329484,0.004163947385474714,0.002403250161971581,4.16,7.354565789203387,7.734753684545128,7.8685340373672,7.929739851864929,7.961087869285471,7.977996956508548,7.987430295138276,7.99278643170367,7.995836052614526,7.997596749838029,second
+279,6.02,90,2.2835941131292307e+17,2.58,0.9477893989335261,153.2,Linear,Base,1,3.2220069496178096,2.707926393691258,9.19,1.6636860792362607,1.6641863024960166,1.664542841385924,1.6634581517398932,1.6622451972116163,1.6615310844407536,1.6616393008876167,1.6624034222792081,1.663581032157145,1.6643820174265216,0.71,0.71,0.71,0.71,0.71,0.71,0.71,0.71,0.71,0.71,0.71,2.96,5.468771306921246,5.468604565834664,5.4684857195380285,5.468847282753372,5.469251600929466,5.4694896385197564,5.469453566370803,5.469198859240276,5.468806322614298,5.468539327524507,third
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+272,13.99,96,4.8578356743497683e+17,2.7,0.9932517730102834,35.1,Unknown,None,0,0.1778368173828313,0.13321268785221485,6.86,1.0723971079219994,0.7621940160837756,0.6238098360992872,0.5406999428570879,0.4839711194851087,0.4417538668876803,0.40933794828099557,0.3830362546274603,0.36109191424329407,0.34253395531960196,2.03,2.03,2.03,2.03,2.03,2.03,2.03,2.03,2.03,2.03,2.03,4.24,6.169200964026001,6.272601994638743,6.318730054633572,6.346433352380972,6.365342960171631,6.379415377704108,6.390220683906336,6.398987915124181,6.406302695252236,6.412488681560133,third
+271,9.09,92,3.765436695311282e+17,4.24,1.4445632692438664,119.8,Branched,Acid,1,0.6956358832603969,0.3624805336163435,2.56,2.3811175158343647,2.3093550951464055,2.2756060295400786,2.261556132167182,2.2550660395737974,2.2531225690936756,2.2513789385954026,2.25111236340818,2.2512150838351603,2.250918165411765,1.93,1.93,1.93,1.93,1.93,1.93,1.93,1.93,1.93,1.93,1.93,4.01,4.188882484165635,4.260644904853595,4.294393970459922,4.308443867832818,4.314933960426203,4.316877430906326,4.318621061404598,4.318887636591821,4.31878491616484,4.319081834588236,first
+276,13.06,95,1.976803148899269e+17,0.9,-0.10536051565782628,61.8,Unknown,None,0,0.207013929228543,0.1593896173383459,2.16,1.2670479786584006,0.8933063397121824,0.689266565009169,0.5621475577539297,0.47374399084941343,0.41001618698945047,0.36113760870601963,0.32252058627588615,0.2915231412204997,0.2659597692534847,2.23,2.23,2.23,2.23,2.23,2.23,2.23,2.23,2.23,2.23,2.23,3.25,3.6964760106707995,3.8833468301439087,3.9853667174954155,4.048926221123034,4.093128004575293,4.124991906505274,4.149431195646989,4.168739706862056,4.184238429389749,4.197020115373257,second
+274,9.63,90,4.440541727688717e+17,3.2,1.1631508098056809,71.8,Unknown,Base,0,3.0864040169656444,2.1227855442902532,8.08,0.6853716805278103,0.058181193231313655,0.004936414268589763,0.00041920306935103126,3.5803159122434165e-05,2.9202088769821915e-06,1.580202478123574e-07,-2.301045015726225e-07,2.0032739406532002e-07,1.4440994299406162e-07,3.69,3.69,3.69,3.69,3.69,3.69,3.69,3.69,3.69,3.69,3.69,0.93,0.93,0.93,0.93,0.93,0.93,0.93,0.93,0.93,0.93,0.93,first
+277,6.95,95,4.3331160240596256e+17,1.89,0.636576829071551,75.8,Ring,Base,0,0.5269216936684397,0.3864206897134784,8.65,5.556392872449122,5.353127895939161,5.332444146269395,5.330258783383932,5.33002765007155,5.3300027986194145,5.330000195029353,5.329999860767824,5.33000036120246,5.3300000578610875,3.32,0.22639287244912099,0.023127895939159898,0.0024441462693939042,0.00025878338393067865,2.7650071549349813e-05,2.798619414845672e-06,1.9502935291334504e-07,-1.3923217551881754e-07,3.612024604442762e-07,5.786108794806438e-08,3.03,6.123607127550878,6.326872104060839,6.347555853730605,6.349741216616068,6.34997234992845,6.349997201380585,6.349999804970647,6.350000139232176,6.34999963879754,6.349999942138912,second
+271,7.0,93,1.0204438558731306e+17,4.02,1.3912819026309295,180.9,Ring,Base,0,0.120948651384107,0.08410117338512427,1.83,1.0699241145553404,0.8295837643029864,0.7018155607154984,0.6192586944219985,0.5602713898674667,0.5151903602304905,0.4798905345559312,0.45099584254785946,0.4265159544363514,0.4056341290936524,1.77,1.77,1.77,1.77,1.77,1.77,1.77,1.77,1.77,1.77,1.77,1.22,1.4733586284815534,1.5534720785656715,1.5960614797615007,1.6235804351926673,1.643242870044178,1.65826987992317,1.6700364884813566,1.679668052484047,1.687828015187883,1.6947886236354492,third
+271,5.49,93,3.834146413960361e+17,2.04,0.712949807856125,94.2,Unknown,None,1,0.4544442453239395,0.29633817372304555,9.82,2.137475821256627,2.0197508140337592,2.0143604327102302,2.0135112946941627,2.013208018339003,2.0139642572634275,2.0168185527828477,2.017835858728909,2.0163530310768887,2.01556314479839,4.14,4.14,4.14,4.14,4.14,4.14,4.14,4.14,4.14,4.14,4.14,2.32,6.161262089371686,6.22012459298312,6.222819783644885,6.223244352652919,6.223395990830499,6.223017871368286,6.221590723608577,6.221082070635545,6.221823484461556,6.222218427600806,second
+272,7.15,91,2.0097358878336707e+17,0.81,-0.21072103131565253,110.4,Branched,None,1,0.6713486396405648,0.5021061417788535,4.07,2.6738582824773385,2.672536739548938,2.6725322298082697,2.6723637334525705,2.6720601389313887,2.6720155253103313,2.672331159714554,2.672146148365596,2.6730879652655615,2.673140322137215,1.06,0.3619291412386694,0.36126836977446886,0.3612661149041346,0.36118186672628494,0.36103006946569416,0.36100776265516527,0.36116557985727665,0.3610730741827973,0.3615439826327803,0.36157016106860723,2.75,3.448070858761331,3.4487316302255318,3.448733885095866,3.448818133273716,3.448969930534307,3.448992237344836,3.4488344201427243,3.448926925817204,3.4484560173672207,3.4484298389313937,third
+270,7.46,100,4.756556206192175e+17,2.69,0.9895411936137477,136.2,Linear,None,1,0.02140084592770731,0.011379616527916482,2.23,2.2350874715932436,2.240043262176087,2.244870778357956,2.249573340913197,2.25415418532984,2.2586164634822516,2.2629632415535434,2.2671975079313995,2.271322175986379,2.2753400840719196,3.66,3.66,3.66,3.66,3.66,3.66,3.66,3.66,3.66,3.66,3.66,4.76,4.754912528406756,4.749956737823912,4.745129221642043,4.740426659086802,4.735845814670158,4.731383536517748,4.727036758446455,4.7228024920686,4.71867782401362,4.714659915928079,first
+275,8.54,96,3.9374165159538566e+17,4.88,1.5851452198650557,147.9,Branched,Base,0,0.2290418329632124,0.16861491549591626,9.34,5.308749874139281,5.300051289286749,5.3000005938601005,5.299997491761552,5.300000874901133,5.299998951730901,5.300001970015336,5.299998228594863,5.30000228448765,5.300000266181795,2.02,0.0043749370696401,2.5644643374682042e-05,2.9693005025856975e-07,-1.2541192239666153e-06,4.37450566298738e-07,-5.24134549367551e-07,9.850076680090194e-07,-8.857025687393832e-07,1.1422438254844854e-06,1.3309089735682307e-07,3.23,5.24562506293036,5.249974355356625,5.249999703069949,5.250001254119223,5.249999562549433,5.250000524134548,5.249999014992331,5.250000885702567,5.2499988577561725,5.249999866909101,third
+279,13.13,92,3.6921120460125824e+17,1.1,0.09531017980432493,142.0,Ring,Base,0,2.1995155806231583,1.2428889098571203,7.85,0.30816287793419117,0.21791660054188308,0.1779615598846261,0.1542377607909836,0.13786425136980762,0.12587843244291502,0.11660535764580428,0.109038236590134,0.10278252388237179,0.09749245128976694,1.66,1.66,1.66,1.66,1.66,1.66,1.66,1.66,1.66,1.66,1.66,2.65,5.16394570735527,5.194027799819373,5.207346146705126,5.21525407973634,5.220711916210065,5.224707189185696,5.227798214118066,5.2303205878032895,5.232405825372544,5.234169182903411,third
+270,9.06,90,1.579969849806773e+17,1.95,0.6678293725756554,52.4,Branched,Enzyme,0,0.6116081671369729,0.4854555603974992,4.37,1.5976745467356934,1.0556687138922793,0.827634897888938,0.7041492746980271,0.6284988744268756,0.5778343487255553,0.54264061857824,0.5169315005551415,0.4978603371360263,0.48343535299014223,3.94,1.1676745467356937,0.6256687138922796,0.39763489788893824,0.27414927469802736,0.19849887442687583,0.1478343487255555,0.11264061857824026,0.08693150055514172,0.06786033713602652,0.05343535299014246,2.2,4.972325453264307,5.514331286107721,5.742365102111062,5.865850725301973,5.941501125573125,5.992165651274445,6.0273593814217605,6.0530684994448585,6.072139662863974,6.086564647009858,second
+277,3.13,93,4.018718300833862e+17,1.94,0.6626879730752367,142.9,Linear,Enzyme,0,1.1646417709045738,0.9950253222092005,9.31,3.668472998563157,1.4459100452311944,0.570024763451461,0.22470979236076594,0.08857811414858338,0.034915420266889284,0.013762671334914493,0.005424839111356635,0.0021382884412570477,0.0008437659590527496,1.68,1.68,1.68,1.68,1.68,1.68,1.68,1.68,1.68,1.68,1.68,3.03,8.671527001436843,10.894089954768805,11.76997523654854,12.115290207639235,12.251421885851416,12.30508457973311,12.326237328665085,12.334575160888642,12.337861711558741,12.339156234040948,first
+273,2.16,92,3.838840096469449e+17,2.64,0.9707789171582248,191.4,Linear,Acid,1,0.9564932528156116,0.6659046451171619,6.51,4.900603510349845,4.459383637223706,4.339334043031932,4.306132770385028,4.296246431650932,4.294835664740701,4.292981023506206,4.294164376711178,4.293456718188094,4.293427665952422,3.0,3.0,3.0,3.0,3.0,3.0,3.0,3.0,3.0,3.0,3.0,3.95,5.559396489650155,6.000616362776294,6.120665956968068,6.153867229614972,6.163753568349068,6.165164335259299,6.167018976493794,6.165835623288822,6.166543281811906,6.1665723340475775,first
+277,1.4,98,3.977253352725931e+16,4.81,1.5706970841176697,95.8,Linear,Base,1,0.013145904194533499,0.008011135680921981,7.5,7.477491045909951,7.456890727466727,7.438027377784484,7.420743303419254,7.404906653029703,7.390395511859811,7.377095942519936,7.364901984986802,7.353715656603513,7.343446952079544,0.36,0.33749104590995166,0.316890727466728,0.29802737778448396,0.2807433034192543,0.26490665302970295,0.25039551185981157,0.23709594251993515,0.22490198498680186,0.21371565660351338,0.20344695207954455,0.76,0.7825089540900484,0.803109272533272,0.821972622215516,0.8392566965807456,0.8550933469702969,0.8696044881401883,0.8829040574800648,0.8950980150131981,0.9062843433964866,0.9165530479204553,second
+274,2.85,90,3.010427908917656e+17,3.7,1.308332819650179,115.4,Ring,None,0,2.0924016394065217,1.166094708475052,8.94,0.31615570251731245,0.22347507604383215,0.18257256012302198,0.15804531230657765,0.1414336701057487,0.1290272070931373,0.11950449746336611,0.111835166229526,0.10541028854209925,0.09997931232980908,1.18,1.18,1.18,1.18,1.18,1.18,1.18,1.18,1.18,1.18,1.18,0.93,3.804614765827562,3.8355083079853887,3.849142479958992,3.8573182292311405,3.8628554432980837,3.866990930968954,3.8701651675122113,3.8727216112568246,3.8748632371526335,3.8766735625567303,third
+279,12.57,90,4.698941833933937e+17,3.39,1.220829921392359,49.9,Unknown,Base,1,6.6299099116342015,4.576209505529273,6.93,1.5196984666408748,1.5207794670636563,1.522188550902152,1.521903099367393,1.5203272880834455,1.519457343616435,1.519957682418456,1.521422347140264,1.5223783416442302,1.5216374242801138,3.83,3.83,3.83,3.83,3.83,3.83,3.83,3.83,3.83,3.83,3.83,3.29,5.093433844453041,5.093073510978777,5.092603816365944,5.092698966877529,5.093224237305509,5.09351421879451,5.093347439193835,5.092859217619898,5.092540552785243,5.092787525239948,third
+272,3.03,98,4.7608684260908915e+17,1.22,0.19885085874516517,82.6,Ring,Enzyme,1,0.07197355091690723,0.03642335570500592,2.65,2.038605035350238,1.7450852063949271,1.5718481660169505,1.459300936430722,1.381170884556426,1.3246711076311874,1.2834878576194755,1.2523328066321389,1.22845663923224,1.2101188839430133,1.23,0.924302517675119,0.7775426031974636,0.6909240830084753,0.634650468215361,0.595585442278213,0.5673355538155938,0.5467439288097378,0.5311664033160695,0.51922831961612,0.5100594419715067,0.48,0.7856974823248808,0.9324573968025363,1.0190759169915247,1.0753495317846389,1.114414557721787,1.142664446184406,1.1632560711902622,1.1788335966839305,1.19077168038388,1.1999405580284932,third
+270,9.33,92,2.217920555047287e+17,1.7,0.5306282510621704,136.2,Linear,Enzyme,0,0.35223558476839617,0.1831390094270002,9.63,7.510000354361545,7.510000681067088,7.5099974339929645,7.510000728669832,7.510001317115545,7.51000129477797,7.510000439813428,7.509997719370373,7.510000346380943,7.510003195830795,1.06,1.7718077234400911e-07,3.4053354421409826e-07,-1.2830035175192657e-06,3.6433491650559214e-07,6.585577727398953e-07,6.473889844925883e-07,2.19906713218899e-07,-1.1403148142107787e-06,1.731904707660416e-07,1.5979153968544065e-06,2.74,3.799999822819228,3.7999996594664567,3.8000012830035184,3.7999996356650847,3.799999341442228,3.7999993526110156,3.7999997800932865,3.800001140314814,3.799999826809529,3.799998402084603,third
+271,7.38,94,2.9179201661451155e+17,4.38,1.4770487243883548,160.4,Unknown,None,0,0.2218863621824379,0.18968613217451502,3.07,2.3372818941635343,1.9544982134943973,1.7231138756006028,1.571073063801107,1.4648097380975438,1.3878176171900558,1.3307655157191927,1.2870817796430443,1.2533897139603178,1.227078223890239,1.95,1.2172818941635346,0.8344982134943977,0.6031138756006031,0.4510730638011074,0.34480973809754417,0.26781761719005626,0.21076551571919305,0.16708177964304466,0.13338971396031823,0.10707822389023922,0.27,1.0027181058364654,1.3855017865056023,1.6168861243993968,1.7689269361988926,1.8751902619024559,1.9521823828099438,2.0092344842808068,2.0529182203569554,2.086610286039682,2.112921776109761,second
+274,1.79,90,1.6411711121984912e+17,4.11,1.4134230285081433,196.5,Unknown,Acid,1,1.1406980102524278,0.6223343717413197,4.66,1.3053810075594952,1.3043913186159073,1.3036674512943716,1.30623676724698,1.303803122226928,1.3042378155770311,1.3061365699604348,1.3041032868329854,1.3040536841060564,1.3055553074956296,1.12,1.12,1.12,1.12,1.12,1.12,1.12,1.12,1.12,1.12,1.12,2.95,4.068206330813501,4.068536227128029,4.068777516235209,4.06792107758434,4.068732292591023,4.068587394807655,4.067954476679853,4.068632237722336,4.068648771964646,4.0681482308347885,third
+273,9.92,98,1.9589678743620042e+17,2.87,1.0543120297715298,72.0,Ring,Enzyme,0,0.034709924852402325,0.01940624136686542,8.98,8.734074123035098,8.4948831680223,8.262242689519821,8.035972988844758,7.815899765674844,7.601853715666204,7.393669849998681,7.1911874953612855,6.994250293952189,6.802706203478728,3.3,3.3,3.3,3.3,3.3,3.3,3.3,3.3,3.3,3.3,3.3,0.61,0.61,0.61,0.61,0.61,0.61,0.61,0.61,0.61,0.61,0.61,first
+276,1.97,90,2.3293869459553866e+17,2.89,1.0612565021243408,142.7,Branched,Base,1,2.155716614073674,1.6054773748332014,5.77,3.65246013570704,3.5481720311320184,3.5428940035536836,3.541727224928847,3.5413094631390005,3.5434040394821458,3.5480320987425373,3.547474683874669,3.545385758346704,3.543624413549548,0.58,0.58,0.58,0.58,0.58,0.58,0.58,0.58,0.58,0.58,0.58,2.53,4.647539864292958,4.751827968867979,4.757105996446314,4.75827277507115,4.758690536860997,4.756595960517851,4.751967901257459,4.752525316125328,4.754614241653293,4.756375586450449,first
+280,9.92,95,8.447464485211629e+16,2.06,0.7227059828014898,172.0,Unknown,Base,1,0.15981559111574278,0.1381727769900594,10.0,8.532704168470437,8.150529932607906,8.036957328700602,8.002015086650182,7.991168433575715,7.987746834496204,7.986622832511565,7.986368690788483,7.986207902395861,7.9862048068857,2.26,0.7927041684704361,0.41052993260790566,0.2969573287006017,0.2620150866501825,0.25116843357571583,0.2477468344962054,0.24662283251156625,0.2463686907884839,0.24620790239586263,0.24620480688570143,0.26,1.7272958315295637,2.109470067392094,2.2230426712993983,2.257984913349817,2.268831566424284,2.2722531655037943,2.2733771674884333,2.2736313092115155,2.2737920976041366,2.273795193114298,second
+271,9.97,98,5.127987509494588e+16,3.06,1.1184149159642893,153.0,Ring,Enzyme,0,0.006606711168860856,0.004574443320706735,8.06,7.902636499276461,7.754598894454681,7.615113634758958,7.48348419595742,7.3591103755099505,7.241444088963125,7.129981773266516,7.024264386772682,6.923877409237178,6.828450841818549,3.81,3.6526364992764617,3.5045988944546806,3.365113634758958,3.2334841959574203,3.1091103755099505,2.9914440889631257,2.879981773266516,2.7742643867726824,2.6738774092371784,2.578450841818549,4.86,5.0173635007235395,5.16540110554532,5.3048863652410425,5.436515804042581,5.56088962449005,5.6785559110368755,5.790018226733485,5.895735613227318,5.996122590762822,6.091549158181452,second
+279,2.07,93,4.6400531351059814e+17,1.16,0.14842000511827322,152.7,Linear,Acid,0,1.7961699672480476,1.1880008275057428,5.35,0.4014398451029363,0.2491706640335266,0.18538341442205386,0.14924568187982068,0.12536813478429024,0.1085875114851475,0.09583877592086243,0.08589403034786783,0.07797043616053614,0.07142153433939868,3.05,0.5757199225514681,0.49958533201676325,0.4676917072110269,0.4496228409399103,0.43768406739214505,0.4292937557425737,0.42291938796043116,0.4179470151739339,0.41398521808026806,0.4107107671696993,2.89,5.364280077448532,5.440414667983237,5.4723082927889735,5.49037715906009,5.502315932607855,5.510706244257427,5.517080612039569,5.522052984826066,5.5260147819197325,5.5292892328303,third
+277,5.13,92,1.142387467523349e+17,3.32,1.199964782928397,114.5,Linear,Enzyme,0,0.511090426637766,0.3309131343967362,8.02,7.611127658689786,7.202255317379573,6.793382976069361,6.384510634759148,5.975638293448935,5.566765952138722,5.157893610828509,4.7490212695182965,4.340148928208083,3.9312765868978703,2.46,2.46,2.46,2.46,2.46,2.46,2.46,2.46,2.46,2.46,2.46,2.15,2.558872341310213,2.9677446826204257,3.3766170239306383,3.785489365240851,4.194361706551064,4.603234047861277,5.012106389171491,5.420978730481703,5.829851071791916,6.238723413102129,zero
+277,12.6,100,3.392883078175961e+17,4.48,1.4996230464268938,100.9,Unknown,Base,1,0.047056222793101225,0.035377422760366886,9.72,9.388242205675006,9.377356586200957,9.376973964452597,9.37695537910671,9.3769588214354,9.376976456687386,9.376974786867471,9.376972868422632,9.376976874596771,9.37697793461304,0.18,0.014121102837502262,0.008678293100477926,0.00848698222629781,0.008477689553354132,0.008479410717699337,0.008488228343692067,0.00848739343373507,0.00848643421131507,0.008488437298384851,0.008488967306518762,0.82,0.9858788971624977,0.991321706899522,0.9915130177737023,0.991522310446646,0.9915205892823007,0.991511771656308,0.991512606566265,0.991513565788685,0.9915115627016152,0.9915110326934814,third
+273,8.23,97,1.7730954658815427e+17,3.44,1.235471471385307,76.1,Unknown,None,0,0.04880913002852592,0.03575041012816489,2.41,1.3735968347681482,0.9833506524221207,0.7731638210495977,0.639118390395055,0.5465100078750966,0.4774410650632674,0.4247414686312623,0.3828882177167783,0.34842792757752916,0.319785506999077,4.33,3.811798417384074,3.6166753262110602,3.5115819105247987,3.4445591951975274,3.3982550039375483,3.3637205325316337,3.3373707343156314,3.316444108858389,3.2992139637887647,3.2848927534995385,0.29,0.8082015826159259,1.0033246737889396,1.1084180894752014,1.1754408048024727,1.221744996062452,1.2562794674683666,1.2826292656843692,1.303555891141611,1.3207860362112358,1.3351072465004619,third
+272,3.8,98,2.4426025721623795e+17,1.9,0.6418538861723947,110.1,Branched,None,0,0.03692662028504067,0.02884832696784995,9.25,8.980739731830385,8.71931742919495,8.465504929117682,8.219080252588961,7.979828637229681,7.74754182543043,7.522017173567341,7.303057652002077,7.090471845081842,6.884073951139372,1.85,1.85,1.85,1.85,1.85,1.85,1.85,1.85,1.85,1.85,1.85,1.05,1.05,1.05,1.05,1.05,1.05,1.05,1.05,1.05,1.05,1.05,first
+278,12.28,90,1.3630601715650789e+17,2.9,1.0647107369924282,60.3,Ring,Base,1,1.6726662876299287,1.3023077749290874,4.79,3.4868971883020525,3.3652813615869293,3.3541453331912776,3.3528081597348214,3.352572519224543,3.354077879596209,3.352071643900842,3.354080057648102,3.3549297698916147,3.353488614444286,2.39,2.39,2.39,2.39,2.39,2.39,2.39,2.39,2.39,2.39,2.39,2.87,4.173102811697947,4.29471863841307,4.305854666808722,4.307191840265178,4.307427480775457,4.305922120403791,4.307928356099157,4.305919942351897,4.305070230108384,4.306511385555713,first
+272,8.3,95,2.3116131228859325e+17,2.95,1.0818051703517284,82.5,Branched,None,0,0.13168613839439247,0.07640496559532575,3.76,3.384038526485412,3.045670704764221,2.7410348827794757,2.466647272188423,2.219732090168727,1.9976902767239313,1.7980731499288465,1.6185824059295526,1.4570701189433974,1.3115387412589976,0.67,0.67,0.67,0.67,0.67,0.67,0.67,0.67,0.67,0.67,0.67,2.73,2.73,2.73,2.73,2.73,2.73,2.73,2.73,2.73,2.73,2.73,first
+277,10.37,100,3.3445763976446016e+16,1.06,0.058268908123975824,39.5,Unknown,None,0,0.004638625277966331,0.0029437057401522776,4.74,4.722442929362158,4.70495089052373,4.687523642606249,4.670160945621666,4.6528625604684315,4.6356282489368805,4.618457773701499,4.601350898310314,4.584307387184877,4.567327005620257,3.69,3.69,3.69,3.69,3.69,3.69,3.69,3.69,3.69,3.69,3.69,3.53,3.547557070637842,3.5650491094762704,3.5824763573937513,3.599839054378334,3.617137439531568,3.634371751063119,3.651542226298501,3.668649101689685,3.6856926128151226,3.7026729943797427,first
+274,9.41,93,1.3227615365339131e+17,2.8,1.0296194171811581,185.5,Ring,Enzyme,1,0.24635739622384112,0.20532675515488544,1.23,0.6790090919495241,0.5729833963289612,0.5435277104637866,0.5346756716603643,0.5317358912056828,0.5308974021391618,0.5306076012211766,0.530569887784701,0.5304796420754849,0.5305306131321391,2.6,2.3245045459747624,2.271491698164481,2.2567638552318936,2.2523378358301827,2.2508679456028418,2.2504487010695815,2.2503038006105887,2.250284943892351,2.2502398210377432,2.25026530656607,0.41,0.6854954540252379,0.7385083018355193,0.7532361447681066,0.7576621641698178,0.7591320543971586,0.7595512989304191,0.7596961993894118,0.7597150561076494,0.7597601789622576,0.7597346934339304,third
+272,7.01,98,4.911833172041774e+17,3.11,1.1346227261911428,76.7,Ring,Base,0,0.07425579605727027,0.06339356254442353,9.78,9.720595363154183,9.661190726308368,9.601786089462552,9.542381452616734,9.482976815770918,9.423572178925102,9.364167542079285,9.304762905233469,9.245358268387653,9.185953631541837,2.61,2.61,2.61,2.61,2.61,2.61,2.61,2.61,2.61,2.61,2.61,2.61,2.6694046368458157,2.728809273691632,2.7882139105374484,2.8476185473832647,2.9070231842290806,2.966427821074897,3.025832457920713,3.0852370947665295,3.144641731612346,3.204046368458162,zero
+272,9.95,94,4.719071832786117e+17,1.51,0.412109650826833,149.7,Linear,None,0,0.41833822840523294,0.2642984908754143,7.1,6.765329417275813,6.430658834551627,6.095988251827441,5.761317669103255,5.426647086379068,5.091976503654881,4.757305920930695,4.422635338206509,4.0879647554823215,3.7532941727581353,2.49,2.49,2.49,2.49,2.49,2.49,2.49,2.49,2.49,2.49,2.49,2.24,2.5746705827241865,2.909341165448373,3.2440117481725594,3.5786823308967457,3.913352913620932,4.2480234963451196,4.582694079069306,4.917364661793492,5.252035244517678,5.586705827241865,zero
+273,5.03,97,2.221974579116007e+17,1.43,0.3576744442718159,88.3,Ring,Acid,0,0.06116571173917708,0.03785293056095077,7.73,7.360856404380203,7.009341226880736,6.6746117988231735,6.355860259280956,6.052330343588153,5.763300606033603,5.488079508497856,5.22600542045318,4.976446618963554,4.7388012886846775,4.8,4.8,4.8,4.8,4.8,4.8,4.8,4.8,4.8,4.8,4.8,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,first
+272,11.93,98,3.808022135714446e+17,4.21,1.43746264769429,28.4,Ring,Base,1,0.05756867246646336,0.040843656803696254,6.98,6.7629309231161,6.56229652306055,6.37684062343804,6.2053915070824655,6.04692743052092,5.90048863889929,5.765169435109727,5.64011817979065,5.524537291326747,5.41768324584897,1.82,1.82,1.82,1.82,1.82,1.82,1.82,1.82,1.82,1.82,1.82,2.93,3.147069076883901,3.3477034769394503,3.5331593765619607,3.7046084929175356,3.863072569479081,4.009511361100712,4.144830564890274,4.269881820209351,4.385462708673254,4.49231675415103,first
+280,8.84,92,4.2422245186250906e+17,3.9,1.3609765531356006,163.8,Linear,Acid,1,2.911813069349497,2.0111434834407764,3.01,1.9124608330942432,1.9139927108876975,1.9123348206494912,1.9125080800665943,1.9125596630337216,1.9126718532720766,1.9124937794238417,1.9125677595820219,1.913203879215997,1.9127298880969348,1.2,0.6512304165471215,0.6519963554438487,0.6511674103247456,0.6512540400332971,0.6512798315168608,0.6513359266360382,0.6512468897119208,0.6512838797910109,0.6516019396079985,0.6513649440484673,2.9,3.4487695834528784,3.4480036445561515,3.448832589675254,3.4487459599667023,3.448720168483139,3.448664073363961,3.4487531102880786,3.448716120208988,3.448398060392001,3.4486350559515317,third
+276,10.92,91,3.188370061895157e+17,2.16,0.7701082216960737,189.0,Ring,Acid,0,1.9083409805633362,1.6940167469659642,7.4,5.873327215549331,4.346654431098663,2.8199816466479932,1.2933088621973243,-0.23336392225334457,-1.7600367067040166,-3.286709491154687,-4.813382275605358,-6.3400550600560255,-7.866727844506697,4.72,4.72,4.72,4.72,4.72,4.72,4.72,4.72,4.72,4.72,4.72,4.26,5.786672784450669,7.313345568901338,8.840018353352008,10.366691137802675,11.893363922253345,13.420036706704018,14.946709491154687,16.47338227560536,18.000055060056027,19.526727844506695,zero
+273,2.27,95,4.373355712030908e+17,3.8,1.33500106673234,176.1,Unknown,Enzyme,1,0.29058214588794534,0.18331587027391963,4.55,1.8226813139161466,1.4948998026021785,1.426192630390678,1.4106709535389323,1.4070593380700152,1.405775324021849,1.4060503671847615,1.4052112168485809,1.4060553826307012,1.4059976483209884,1.48,1.48,1.48,1.48,1.48,1.48,1.48,1.48,1.48,1.48,1.48,1.56,2.923659343041926,3.0875500986989106,3.121903684804661,3.1296645232305336,3.131470330964992,3.132112337989075,3.1319748164076193,3.1323943915757098,3.1319723086846496,3.132001175839506,second
+270,2.65,95,8.307014940981222e+16,4.48,1.4996230464268938,179.2,Unknown,None,0,0.034667808076498156,0.01783838911505891,9.6,9.33740943795071,9.082001569224712,8.83357981173691,8.591952683049042,8.356934901470982,8.12834601341239,7.9060101730222385,7.689756142188821,7.479417290539745,7.274831595441938,1.71,1.71,1.71,1.71,1.71,1.71,1.71,1.71,1.71,1.71,1.71,4.64,4.902590562049291,5.157998430775288,5.406420188263089,5.648047316950958,5.883065098529017,6.11165398658761,6.333989826977762,6.550243857811179,6.760582709460254,6.965168404558061,first
+277,6.95,94,3.3110839016227526e+17,4.41,1.4838746894587547,192.0,Unknown,Base,0,0.6215777573998649,0.46525205192666047,7.44,4.523988551000663,2.7517094161778175,1.6729609804088472,1.0190166682397,0.6196148708734962,0.37728949384374266,0.22944983986080333,0.1396925362437212,0.08496912065735687,0.051747388353103156,1.26,1.26,1.26,1.26,1.26,1.26,1.26,1.26,1.26,1.26,1.26,0.62,0.62,0.62,0.62,0.62,0.62,0.62,0.62,0.62,0.62,0.62,first
+279,5.01,90,2.5031553509073533e+17,1.64,0.494696241836107,154.5,Ring,Acid,0,3.5317939778469216,1.882009427732233,4.53,0.17136877672624135,0.08719575618978052,0.05848724023345017,0.04398163287035101,0.0352905136374838,0.029411556171620664,0.025253019084963524,0.022111365523472343,0.019655952250505176,0.017692291313660534,1.08,1.08,1.08,1.08,1.08,1.08,1.08,1.08,1.08,1.08,1.08,3.24,5.41931561163688,5.4614021219051105,5.4757563798832765,5.483009183564826,5.4873547431812595,5.4902942219141915,5.49237349045752,5.493944317238265,5.495172023874749,5.496153854343171,second
+273,11.0,90,1.962090600208504e+17,3.06,1.1184149159642893,183.7,Linear,None,1,1.1800111799609156,0.8213258462943334,8.12,5.1101689348639985,4.504273861217257,4.381996225449715,4.356967718368415,4.351053539628284,4.350458089199643,4.350002815981914,4.350337401023596,4.349092982435671,4.352072511021926,3.65,3.65,3.65,3.65,3.65,3.65,3.65,3.65,3.65,3.65,3.65,2.48,5.489831065135999,6.095726138782741,6.218003774550283,6.243032281631583,6.248946460371714,6.249541910800355,6.249997184018084,6.249662598976402,6.250907017564327,6.247927488978072,first
+276,9.68,100,4.445509292559535e+17,3.81,1.3376291891386096,31.7,Ring,Acid,1,0.052679759018809044,0.039068099656744515,6.83,4.370862147817739,3.2702872726815113,2.6636062440980193,2.291920591800963,2.046210058425777,1.8784956651455498,1.7606815098351047,1.6746857022955874,1.6123295907085813,1.566422292969162,0.92,0.92,0.92,0.92,0.92,0.92,0.92,0.92,0.92,0.92,0.92,0.04,1.2695689260911303,1.819856363659244,2.1231968779509898,2.309039704099518,2.4318949707871114,2.515752167427225,2.5746592450824473,2.617657148852206,2.648835204645709,2.6717888535154186,second
+279,1.65,91,3.0558529083428243e+17,2.0,0.6931471805599453,171.3,Unknown,None,0,2.801639876119245,1.4712398208513764,2.01,0.20157255483974384,0.10600273288587549,0.07193584855913002,0.05447740493575411,0.04380848681256245,0.03665106063298181,0.031475645800064,0.02762210402705588,0.024587691685489896,0.02214680092107899,2.74,2.74,2.74,2.74,2.74,2.74,2.74,2.74,2.74,2.74,2.74,4.26,5.1642137225801275,5.211998633557061,5.2290320757204345,5.2377612975321215,5.243095756593718,5.246674469683508,5.249262177099967,5.251188947986471,5.252706154157254,5.25392659953946,second
+273,11.19,92,3.0581224554440115e+17,4.4,1.4816045409242156,40.0,Branched,None,0,0.7619680480065515,0.6635468231629009,2.07,1.4604255615947586,0.8508511231895174,0.24127668478427589,-0.3682977536209653,-0.9778721920262066,-1.5874466304314483,-2.1970210688366905,-2.806595507241932,-3.416169945647173,-4.025744384052415,3.38,3.38,3.38,3.38,3.38,3.38,3.38,3.38,3.38,3.38,3.38,1.83,2.4395744384052414,3.0491488768104826,3.658723315215724,4.268297753620965,4.8778721920262065,5.487446630431448,6.097021068836691,6.706595507241932,7.316169945647173,7.925744384052415,zero
+278,3.74,98,4.5476587623301114e+17,2.87,1.0543120297715298,143.2,Ring,Enzyme,0,0.17517525071984094,0.14783051009040657,5.38,2.1511139446058776,1.3435465977472794,0.9774971913787922,0.7672196115760823,0.6323509194426393,0.5369864463658701,0.46734658341756463,0.4134144746205011,0.37049164538506835,0.33565291107138234,1.7,1.7,1.7,1.7,1.7,1.7,1.7,1.7,1.7,1.7,1.7,1.71,3.324443027697061,3.72822670112636,3.9112514043106037,4.016390194211959,4.0838245402786795,4.131506776817065,4.166326708291217,4.193292762689748,4.214754177307465,4.232173544464308,second
+274,10.5,100,2.165721919814774e+17,1.71,0.5364933705145685,187.9,Ring,Acid,0,0.01867140230755261,0.011608569378765095,5.48,4.709073288197069,4.127910531176094,3.6740608974381708,3.312588448462311,3.016414285003081,2.766812651742107,2.555371535384782,2.3745934316835995,2.218101493660676,2.0806809575120333,0.09,0.09,0.09,0.09,0.09,0.09,0.09,0.09,0.09,0.09,0.09,0.63,1.0154633559014654,1.3060447344119532,1.5329695512809147,1.7137057757688445,1.8617928574984597,1.9865936741289465,2.092314232307609,2.1827032841582006,2.2609492531696618,2.3296595212439835,second
+270,6.64,95,3.9592984788044845e+17,1.92,0.6523251860396901,102.5,Ring,Base,0,0.16523408318867408,0.0928659913315592,5.42,5.28781273344906,5.155625466898121,5.023438200347181,4.891250933796242,4.759063667245303,4.626876400694363,4.4946891341434245,4.362501867592485,4.230314601041545,4.098127334490607,2.74,2.74,2.74,2.74,2.74,2.74,2.74,2.74,2.74,2.74,2.74,0.79,0.9221872665509392,1.0543745331018786,1.1865617996528177,1.318749066203757,1.4509363327546962,1.5831235993056354,1.715310865856575,1.8474981324075141,1.9796853989584537,2.1118726655093925,zero
+276,5.15,94,1.652608968189901e+17,1.49,0.3987761199573678,121.8,Unknown,Base,0,0.2675894747061326,0.22849528811504022,6.11,4.376499444013471,3.855390930861779,3.6488464111749677,3.558232571109521,3.516756747927117,3.497383358411912,3.488236241838273,3.4839042765656307,3.481854090597457,3.4808819874504793,2.63,0.8964994440134708,0.3753909308617783,0.16884641117496707,0.07823257110952028,0.036756747927116445,0.0173833584119114,0.008236241838272394,0.0039042765656301455,0.0018540905974558264,0.000881987450478131,2.64,4.37350055598653,4.894609069138222,5.101153588825033,5.191767428890479,5.233243252072883,5.252616641588088,5.261763758161727,5.266095723434369,5.268145909402544,5.269118012549521,second
+273,3.71,99,3.046766833730828e+17,3.49,1.2499017362143359,29.3,Linear,Acid,0,0.03474745415869315,0.02636025327445546,1.47,1.4296997208153133,1.3905042812069628,1.3523833913029757,1.3153075414911168,1.2792481097846178,1.2441772954550332,1.2100680071010177,1.176893862646185,1.1446291893391076,1.1132490237533177,0.26,0.26,0.26,0.26,0.26,0.26,0.26,0.26,0.26,0.26,0.26,0.93,0.93,0.93,0.93,0.93,0.93,0.93,0.93,0.93,0.93,0.93,first
+278,10.17,100,3.2186253623917504e+17,3.4,1.2237754316221157,91.0,Branched,None,0,0.052185873586986134,0.041203208893180555,6.47,2.265348047463721,1.5173704329901356,1.1691849813696855,0.9618026785425062,0.8206796276247764,0.7188434428730418,0.6411592548832074,0.5791199285593817,0.5287876374065671,0.4869569413504068,4.93,2.8276740237318596,2.4536852164950673,2.279592490684842,2.175901339271253,2.1053398138123876,2.0544217214365204,2.015579627441603,1.98455996427969,1.9593938187032827,1.9384784706752025,0.43,2.5323259762681394,2.9063147835049317,3.0804075093151573,3.1840986607287465,3.254660186187612,3.305578278563479,3.3444203725583965,3.3754400357203096,3.4006061812967165,3.4215215293247967,third
+275,5.61,100,4.106169265603955e+17,3.11,1.1346227261911428,106.2,Unknown,Acid,1,0.04152754687151079,0.034307033233641315,1.62,1.5938774086950498,1.5692925161780915,1.5461547901221024,1.524378096851048,1.5038829311499275,1.484594887542723,1.4664431825809243,1.4493606548435274,1.4332837649370362,1.418152595495461,2.04,2.04,2.04,2.04,2.04,2.04,2.04,2.04,2.04,2.04,2.04,0.98,1.0061225913049503,1.0307074838219086,1.0538452098778976,1.075621903148952,1.0961170688500725,1.115405112457277,1.1335568174190758,1.1506393451564727,1.1667162350629638,1.181847404504539,first
+274,10.26,93,2.954498262368936e+17,1.36,0.3074846997479607,143.8,Linear,Enzyme,0,0.5502598003963151,0.45084754095082974,5.01,0.6126561382864651,0.4343887313740993,0.35524868528901704,0.30772777252903294,0.2754327622565074,0.25133885865497135,0.2328436435853407,0.21790003186301876,0.20540078910833542,0.1948325801118426,0.38,0.38,0.38,0.38,0.38,0.38,0.38,0.38,0.38,0.38,0.38,1.81,3.2757812872378445,3.3352037562086334,3.361583771570327,3.3774240758236553,3.38818907924783,3.396220380448342,3.402385452138219,3.40736665604566,3.4115330702972213,3.4150558066293852,third
+272,4.92,99,4.723172061581811e+16,3.56,1.269760544863939,86.3,Linear,None,1,0.004588539385702373,0.0029609391590774956,7.09,6.975826136779824,6.8666120283169665,6.762056864845753,6.661884474041767,6.565844569544466,6.4737025524031075,6.3852390846566225,6.300250089333612,6.218546750452348,6.139955513020777,4.59,4.475826136779824,4.3666120283169665,4.262056864845753,4.161884474041767,4.065844569544466,3.973702552403108,3.8852390846566225,3.8002500893336117,3.718546750452348,3.6399555130207766,1.14,1.2541738632201755,1.3633879716830335,1.467943135154247,1.5681155259582324,1.6641554304555335,1.7562974475968915,1.8447609153433768,1.9297499106663878,2.0114532495476514,2.090044486979223,second
+275,7.28,93,1.627735602743714e+17,3.62,1.2864740258376797,150.3,Ring,Base,0,0.35167405714038547,0.2717466096914146,8.89,6.709897019136913,5.063676117371226,3.8197690223501573,2.884768197660532,2.179057364839625,1.6435375782409185,1.2406658457355892,0.9376792939085818,0.7077949093879804,0.5342401523001926,4.44,4.44,4.44,4.44,4.44,4.44,4.44,4.44,4.44,4.44,4.44,3.58,5.7601029808630875,7.406323882628775,8.650230977649843,9.585231802339468,10.290942635160375,10.826462421759082,11.22933415426441,11.532320706091419,11.76220509061202,11.935759847699808,first
+272,6.15,99,3.909273009582983e+17,3.55,1.2669476034873244,133.6,Unknown,Enzyme,0,0.03797840294627611,0.022440810864313272,2.08,1.8772321096442441,1.7039150141405335,1.5538334942779395,1.4227203951286689,1.3079713118766128,1.2071538503222587,1.1179889040480213,1.0383506544182388,0.966266570579177,0.9002534562638496,3.48,3.277232109644244,3.1039150141405334,2.9538334942779394,2.8227203951286683,2.7079713118766127,2.6071538503222587,2.517988904048021,2.4383506544182385,2.3662665705791768,2.3002534562638495,2.73,2.932767890355756,3.1060849858594666,3.2561665057220606,3.3872796048713316,3.5020286881233873,3.6028461496777413,3.692011095951979,3.7716493455817615,3.843733429420823,3.9097465437361505,second
+271,1.71,95,1.982065993955794e+17,1.13,0.12221763272424911,105.6,Linear,Base,1,0.09669869305618321,0.07763506099420095,5.58,2.6298412887264986,2.2089880911845428,2.071278757080232,2.018472475799433,1.9963586120699193,1.9874274586115879,1.9834653399293871,1.9821007119776644,1.981237420261012,1.9809858761641417,2.61,1.1349206443632491,0.9244940455922712,0.8556393785401157,0.829236237899716,0.8181793060349594,0.8137137293057937,0.8117326699646933,0.8110503559888319,0.8106187101305057,0.8104929380820706,2.16,3.635079355636751,3.8455059544077286,3.9143606214598843,3.940763762100284,3.9518206939650407,3.9562862706942066,3.958267330035307,3.958949644011168,3.9593812898694947,3.95950706191793,third
+277,7.66,98,4.074702827424016e+17,1.4,0.3364722366212129,54.7,Linear,Enzyme,1,0.13468001215914,0.11885928049889147,5.05,1.6338683022865177,1.3311206756677885,1.2564519135845427,1.235439152021791,1.229344575346179,1.2270981454703673,1.22691935623999,1.2263106987649715,1.226589632875737,1.2266087824809302,3.72,2.011934151143259,1.860560337833894,1.8232259567922713,1.8127195760108954,1.8096722876730893,1.8085490727351836,1.8084596781199949,1.8081553493824856,1.8082948164378683,1.8083043912404646,1.17,2.8780658488567417,3.0294396621661064,3.0667740432077295,3.077280423989105,3.0803277123269113,3.081450927264817,3.081540321880006,3.0818446506175152,3.0817051835621325,3.0816956087595355,third
+277,1.44,98,4.394448916763661e+16,3.19,1.1600209167967532,55.3,Branched,Base,1,0.014524849016206839,0.008515065199773983,7.48,3.4081061582146526,2.577411132355663,2.180030537414605,1.94465506405244,1.7861113761781324,1.675311403670469,1.5920633282895258,1.5285695483960053,1.4797937279272397,1.4412178091411614,3.76,3.76,3.76,3.76,3.76,3.76,3.76,3.76,3.76,3.76,3.76,1.39,2.7472979472617824,3.024196289214779,3.156656487528465,3.2351149786491864,3.287962874607289,3.32489619877651,3.3526455572368246,3.3738101505346645,3.3900687573575867,3.402927396952946,third
+273,10.73,95,2.621745830288426e+17,3.85,1.3480731482996928,22.0,Unknown,Base,0,0.1741986198932358,0.10014455808189943,6.77,5.889325330662224,5.1232214212893314,4.455859527448302,3.874061065822886,3.3684134722578403,2.9299523748310983,2.550101998054922,2.220675162875901,1.9338732866749524,1.6826973370926182,0.06,0.06,0.06,0.06,0.06,0.06,0.06,0.06,0.06,0.06,0.06,0.8,0.8,0.8,0.8,0.8,0.8,0.8,0.8,0.8,0.8,0.8,first
+274,4.36,99,2.44728252546052e+17,3.97,1.3787660946990992,111.6,Unknown,Acid,0,0.03272672983058385,0.028389658051302828,3.76,3.1414939961090584,2.6974139229373955,2.3633729788733,2.1049016098590325,1.8965504003040703,1.7248207536471598,1.5821917675367065,1.4619951613229543,1.3586763756638942,1.268448110299861,0.26,0.26,0.26,0.26,0.26,0.26,0.26,0.26,0.26,0.26,0.26,0.5,0.8092530019454707,1.031293038531302,1.1983135105633498,1.3275491950704834,1.4317247998479647,1.5175896231764199,1.5889041162316466,1.6490024193385227,1.7006618121680526,1.7457759448500692,second
+280,2.72,92,2.1577333667986672e+17,2.4,0.8754687373538999,23.1,Unknown,None,1,1.4810428326061702,1.319653858507527,7.15,6.429473932219675,6.429304804883476,6.429035187026728,6.42947342887508,6.429706782375138,6.429291097120527,6.429044460825882,6.429474651386097,6.429673196678246,6.429398695254561,1.07,0.3494739322196739,0.34930480488347515,0.349035187026727,0.3494734288750788,0.34970678237513625,0.3492910971205253,0.3490444608258804,0.34947465138609496,0.34967319667824426,0.3493986952545596,1.8,2.520526067780326,2.5206951951165246,2.520964812973273,2.520526571124921,2.520293217624864,2.5207089028794747,2.5209555391741194,2.520525348613905,2.520326803321755,2.5206013047454396,second
+272,9.55,93,3.728084169757319e+17,1.53,0.4252677354043441,48.4,Unknown,Acid,1,0.5142836615423819,0.27582910615963596,1.39,0.6801458478501655,0.5918504713492607,0.5795004895940489,0.5776706373939361,0.5773309562463272,0.5774867601479846,0.5770512891742017,0.5778431648258807,0.5771166866510415,0.5777269550202498,4.41,3.7001458478501656,3.611850471349261,3.5995004895940497,3.5976706373939367,3.597330956246328,3.597486760147985,3.597051289174202,3.5978431648258815,3.597116686651042,3.5977269550202506,3.06,3.7698541521498345,3.8581495286507392,3.8704995104059505,3.8723293626060635,3.8726690437536724,3.8725132398520152,3.8729487108257983,3.8721568351741187,3.872883313348958,3.8722730449797496,second
+274,1.57,92,1.0448969716859107e+17,2.72,1.000631880307906,85.9,Unknown,None,0,0.3018573641787671,0.19267308026388735,7.41,7.168514108656987,6.927028217313974,6.685542325970959,6.444056434627946,6.202570543284932,5.961084651941919,5.719598760598905,5.478112869255892,5.236626977912879,4.995141086569864,1.1,1.1,1.1,1.1,1.1,1.1,1.1,1.1,1.1,1.1,1.1,0.84,1.0814858913430137,1.3229717826860274,1.564457674029041,1.8059435653720548,2.0474294567150686,2.2889153480580826,2.5304012394010957,2.7718871307441093,3.013373022087122,3.254858913430136,zero
+279,5.82,99,2.671000706589729e+17,1.52,0.41871033485818504,190.2,Unknown,Acid,1,0.07782736320330146,0.06472417234967251,7.67,6.602084731493646,6.024699652448538,5.6863612468600895,5.4781849280201165,5.348376929640652,5.264626129963874,5.2107701425522785,5.1759295395664235,5.152850875270103,5.137799631441261,3.32,2.252084731493645,1.6746996524485376,1.3363612468600894,1.128184928020116,0.9983769296406511,0.9146261299638739,0.8607701425522782,0.8259295395664225,0.802850875270103,0.78779963144126,2.1,3.1679152685063547,3.745300347551462,4.083638753139911,4.291815071979884,4.421623070359349,4.505373870036126,4.559229857447722,4.594070460433577,4.617149124729897,4.632200368558739,second
+273,8.46,94,1.1831771025312958e+17,2.59,0.9516578757114463,144.1,Unknown,Enzyme,0,0.12213678067569055,0.06264046882021318,1.4,0.6253046768398423,0.4085514856118189,0.304501273105954,0.24337140661195572,0.20272788039399148,0.17401952583593688,0.15225075858099696,0.13547598562491994,0.12213874263424761,0.11110091772351369,4.81,4.422652338419921,4.314275742805909,4.262250636552976,4.231685703305978,4.211363940196995,4.197009762917968,4.186125379290498,4.177737992812459,4.171069371317123,4.165550458861757,2.43,2.817347661580079,2.9257242571940902,2.977749363447023,3.008314296694022,3.028636059803004,3.0429902370820314,3.053874620709501,3.06226200718754,3.068930628682876,3.074449541138243,third
+279,13.85,96,4.060921090962542e+17,1.08,0.0769610411361284,171.5,Linear,None,0,0.4312865811469425,0.25569584473042856,8.08,7.734970735082445,7.389941470164891,7.044912205247337,6.6998829403297835,6.35485367541223,6.009824410494675,5.664795145577122,5.319765880659567,4.974736615742013,4.629707350824459,0.19,0.19,0.19,0.19,0.19,0.19,0.19,0.19,0.19,0.19,0.19,1.42,1.7650292649175539,2.1100585298351078,2.4550877947526617,2.8001170596702156,3.1451463245877695,3.4901755895053244,3.8352048544228774,4.180234119340432,4.525263384257986,4.870292649175539,zero
+276,3.28,98,4.21062423447544e+17,2.54,0.9321640810304452,64.9,Linear,None,1,0.11928732448442225,0.08799899017636552,3.36,3.133530686828497,3.0832386989624956,3.0713653917674195,3.068524152259117,3.0675602872599805,3.0675630533075395,3.0672560487839062,3.0676439618109828,3.067438473193921,3.0674578970195756,0.52,0.4067653434142485,0.38161934948124765,0.3756826958837097,0.37426207612955853,0.3737801436299903,0.3737815266537697,0.37362802439195303,0.37382198090549146,0.3737192365969604,0.37372894850978766,4.62,4.733234656585752,4.7583806505187525,4.7643173041162905,4.765737923870441,4.76621985637001,4.766218473346231,4.766371975608048,4.766178019094509,4.76628076340304,4.766271051490213,third
+275,9.43,99,1.9957585548157706e+17,2.71,0.9969486348916096,107.3,Linear,Base,1,0.03125780189155442,0.02041054156070845,7.07,2.475522618893282,1.8699669461035882,1.6105961831945812,1.4700739963554914,1.3862216146680952,1.3321357879046405,1.29641792624974,1.273030605843016,1.2564862423505294,1.2450185748682165,3.31,3.31,3.31,3.31,3.31,3.31,3.31,3.31,3.31,3.31,3.31,0.82,2.3514924603689065,2.5533443512988043,2.6398012722684734,2.686642001214837,2.7145927951106357,2.732621404031787,2.744527357916754,2.752323131385662,2.7578379192164912,2.7616604750439286,third
+277,6.32,100,2.4345988917620774e+17,3.95,1.3737155789130306,154.7,Ring,None,1,0.033765686946154234,0.023664115892745287,5.0,3.883361304965148,3.4152568583986396,3.161595075504103,3.008360758106688,2.9081180666086563,2.8413341016199407,2.7944577351831956,2.7617476977600424,2.73883041725214,2.7220954042112706,1.51,0.9516806524825743,0.7176284291993199,0.5907975377520518,0.514180379053344,0.46405903330432835,0.43066705080997064,0.4072288675915979,0.39087384888002136,0.3794152086260702,0.3710477021056354,2.41,2.968319347517426,3.2023715708006804,3.329202462247949,3.4058196209466565,3.455940966695672,3.48933294919003,3.5127711324084028,3.529126151119979,3.5405847913739303,3.548952297894365,third
+277,5.45,93,4.4951424992309816e+16,3.57,1.2725655957915476,52.4,Ring,Acid,0,0.13027115435502162,0.10786946069861109,4.59,3.298155751571468,2.613200827707753,2.189878264476686,1.9036980170935922,1.697035169731836,1.5408788470952166,1.4201414887482484,1.3232853975409078,1.244062722217398,1.1784153999217413,3.9,2.6081557515714677,1.9232008277077524,1.499878264476686,1.2136980170935918,1.0070351697318356,0.8508788470952162,0.730141488748248,0.6332853975409074,0.5540627222173977,0.4884153999217408,0.43,1.7218442484285321,2.4067991722922475,2.8301217355233144,3.1163019829064083,3.3229648302681642,3.479121152904784,3.5998585112517523,3.6967146024590924,3.7759372777826026,3.841584600078259,second
+275,8.25,94,4.896331854532124e+17,3.39,1.220829921392359,164.6,Ring,None,0,0.6830874530357011,0.5313921551622496,5.48,4.9335300375714395,4.3870600751428785,3.8405901127143176,3.294120150285756,2.7476501878571953,2.201180225428634,1.6547102630000734,1.1082403005715116,0.5617703381429502,0.015300375714388359,4.45,4.45,4.45,4.45,4.45,4.45,4.45,4.45,4.45,4.45,4.45,0.57,1.1164699624285612,1.6629399248571217,2.2094098872856827,2.755879849714244,3.302349812142805,3.8488197745713664,4.395289736999927,4.941759699428489,5.48822966185705,6.0346996242856115,zero
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+276,6.01,96,2.6471766659866835e+17,4.3,1.4586150226995167,25.6,Branched,None,0,0.17929009318706332,0.14737779844341176,6.21,6.066567925450349,5.923135850900699,5.779703776351049,5.636271701801398,5.4928396272517475,5.349407552702097,5.205975478152446,5.062543403602795,4.919111329053145,4.775679254503494,1.08,1.08,1.08,1.08,1.08,1.08,1.08,1.08,1.08,1.08,1.08,3.95,4.093432074549651,4.2368641490993015,4.380296223648952,4.523728298198603,4.667160372748254,4.810592447297904,4.954024521847555,5.097456596397206,5.240888670946857,5.384320745496507,zero
+270,1.22,93,1.5793043289946784e+17,1.22,0.19885085874516517,150.7,Unknown,Base,0,0.1606513767373812,0.09319029161786084,5.39,5.261478898610095,5.13295779722019,5.004436695830285,4.8759155944403805,4.747394493050475,4.61887339166057,4.490352290270665,4.36183118888076,4.233310087490855,4.10478898610095,2.57,2.57,2.57,2.57,2.57,2.57,2.57,2.57,2.57,2.57,2.57,0.01,0.13852110138990495,0.2670422027798099,0.39556330416971486,0.5240844055596199,0.6526055069495247,0.7811266083394299,0.909647709729335,1.0381688111192395,1.1666899125091446,1.2952110138990491,zero
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+272,5.78,100,4.50806182442338e+17,1.12,0.11332868530700327,182.1,Linear,Base,0,0.028143914761515253,0.02501932138424321,8.91,4.918137414128954,3.9629151861021237,3.4919405267267023,3.2042831450057925,3.006761248335956,2.8635328155821123,2.75458676921799,2.6684708116010465,2.5994356213283787,2.542940174294127,3.36,1.3640687070644768,0.886457593051062,0.6509702633633511,0.5071415725028962,0.4083806241679778,0.33676640779105593,0.28229338460899484,0.23923540580052324,0.20471781066418931,0.17647008714706341,2.02,4.015931292935523,4.493542406948937,4.729029736636648,4.872858427497103,4.971619375832021,5.043233592208943,5.0977066153910044,5.140764594199476,5.17528218933581,5.203529912852936,third
+270,13.88,96,2.2982545662949325e+17,2.32,0.8415671856782185,41.0,Linear,Acid,0,0.06143429895408529,0.031786464840744995,5.41,4.757884059769816,4.298304183871175,3.9593030707536423,3.7022357613345003,3.4995429064157393,3.3371434998893674,3.2058945933540364,3.098066721189963,3.0078650114123917,2.932125334215903,2.96,2.307884059769817,1.8483041838711751,1.509303070753642,1.2522357613345003,1.049542906415739,0.887143499889367,0.7558945933540364,0.6480667211899628,0.5578650114123916,0.482125334215903,1.27,1.9221159402301833,2.3816958161288246,2.7206969292463583,2.9777642386654994,3.180457093584261,3.3428565001106327,3.474105406645964,3.581933278810037,3.6721349885876085,3.747874665784097,second
+271,9.0,91,3.484302122905854e+17,1.92,0.6523251860396901,133.8,Ring,Enzyme,1,1.0033146225119844,0.5113855222717848,6.78,1.9352669443630313,1.93099002527026,1.9307982804867423,1.9314151463043803,1.9313764592385987,1.930948644960663,1.9318311053033064,1.9313609008012067,1.9313744407164757,1.9332302590687342,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,4.9,7.322366527818486,7.324504987364872,7.3246008597566306,7.324292426847812,7.324311770380703,7.324525677519671,7.3240844473483495,7.324319549599399,7.324312779641765,7.3233848704656355,second
+273,9.85,91,3.9484149590717574e+17,4.81,1.5706970841176697,61.4,Unknown,Base,0,1.5284360245921265,0.9282524028598758,7.96,0.3694438103326709,0.2614638816791337,0.21344310912549955,0.18498852210322106,0.16535568311620494,0.15106358339147452,0.13983586036856327,0.13076609163286684,0.12328956760350113,0.11695969509482962,0.21,0.21,0.21,0.21,0.21,0.21,0.21,0.21,0.21,0.21,0.21,4.1,6.630185396555776,6.666178706106955,6.6821856302914995,6.69167049263226,6.698214772294598,6.702978805536175,6.706721379877146,6.709744636122378,6.712236810798832,6.7143467683017235,third
+276,1.78,94,4.657652582224302e+17,3.27,1.184789984909162,168.5,Branched,Enzyme,1,0.7541643739269883,0.5131089375093818,1.76,1.4336584153945409,1.4338418879875559,1.4364692092468048,1.4328903540889504,1.4357440224808138,1.4337009740968185,1.435904348128046,1.433994697798361,1.4354173529890124,1.434945982732823,4.4,4.4,4.4,4.4,4.4,4.4,4.4,4.4,4.4,4.4,4.4,4.23,4.33878052820182,4.338719370670814,4.337843596917731,4.339036548637016,4.338085325839728,4.338766341967726,4.338031883957315,4.338668434067211,4.338194215670328,4.3383513390890585,third
+270,7.98,92,2.3317807489572102e+17,4.21,1.43746264769429,174.3,Linear,None,1,0.3703181134200366,0.20444830516172108,3.64,1.185636377860701,1.1693714141921812,1.169371494396174,1.1703601536210468,1.1701710099079565,1.1691262471965869,1.1683478540589334,1.1679703023892638,1.1683261231730986,1.1692698179083207,3.72,3.72,3.72,3.72,3.72,3.72,3.72,3.72,3.72,3.72,3.72,2.07,2.8881212073797657,2.8935428619359387,2.8935428352012744,2.8932132821263172,2.8932763300306807,2.8936245842678034,2.8938840486470214,2.894009899203578,2.893891292275633,2.893576727363892,third
+276,10.45,92,4.354586791240244e+17,2.99,1.095273387402595,101.4,Linear,Enzyme,0,1.6856656134008086,1.3600355228314096,3.88,1.0086422243330404,0.26195217358515144,0.06820339927938748,0.017713543763031067,0.004605086350844501,0.001198784431169395,0.00031117975073685633,8.078868826157149e-05,2.0934688703035203e-05,5.601865559559484e-06,1.18,1.18,1.18,1.18,1.18,1.18,1.18,1.18,1.18,1.18,1.18,2.12,2.12,2.12,2.12,2.12,2.12,2.12,2.12,2.12,2.12,2.12,first
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+279,3.75,91,4.8527541710133024e+17,3.63,1.2892326482767593,66.4,Ring,Enzyme,1,4.449058905092303,2.6956962633627533,1.82,1.0972125024647101,1.0978991905738278,1.0981429045794566,1.097825947879503,1.098233205781966,1.0976769717376031,1.0980857214253223,1.0975497477482146,1.097727239084387,1.097677309225877,1.84,1.1172125024647102,1.1178991905738278,1.1181429045794566,1.117825947879503,1.118233205781966,1.1176769717376032,1.1180857214253224,1.1175497477482146,1.117727239084387,1.117677309225877,1.3,2.02278749753529,2.0221008094261723,2.0218570954205437,2.022174052120497,2.021766794218034,2.0223230282623974,2.0219142785746778,2.0224502522517858,2.0222727609156133,2.022322690774123,second
+278,1.95,90,1.1159010919222643e+17,2.69,0.9895411936137477,92.9,Ring,Enzyme,0,1.3693673806378113,1.0970010857177837,9.73,0.43770089502844767,0.22380665937521158,0.15034470383734666,0.11328713380387591,0.09075613732003955,0.07581451559220154,0.0649906372457143,0.05694944433811358,0.05067357307637765,0.04560976500084582,3.81,3.81,3.81,3.81,3.81,3.81,3.81,3.81,3.81,3.81,3.81,4.5,9.146149552485776,9.253096670312395,9.289827648081328,9.308356433098062,9.31962193133998,9.3270927422039,9.332504681377143,9.336525277830944,9.339663213461812,9.342195117499578,second
+278,12.76,93,5.891956112406662e+16,1.31,0.2700271372130602,116.1,Ring,Acid,0,0.19744687066357605,0.17127443349667185,2.84,2.4250355950606606,2.070657187989661,1.7675906145750249,1.5088904301047048,1.2884789497722307,1.1007237136247867,0.940437486563211,0.8030973548908351,0.6857528927881742,0.5855591120865304,3.48,3.48,3.48,3.48,3.48,3.48,3.48,3.48,3.48,3.48,3.48,1.01,1.4249644049393395,1.779342812010339,2.0824093854249752,2.341109569895295,2.561521050227769,2.7492762863752134,2.909562513436789,3.046902645109165,3.1642471072118257,3.2644408879134694,first
+271,13.46,100,1.2599336976003222e+17,3.26,1.1817271953786161,112.6,Linear,Base,0,0.006681540919340924,0.00479054015604801,6.96,6.954654767264527,6.949309534529054,6.9439643017935815,6.9386190690581095,6.933273836322637,6.927928603587164,6.922583370851691,6.917238138116218,6.911892905380745,6.906547672645273,2.89,2.89,2.89,2.89,2.89,2.89,2.89,2.89,2.89,2.89,2.89,4.92,4.925345232735473,4.930690465470946,4.936035698206418,4.94138093094189,4.946726163677363,4.952071396412836,4.957416629148309,4.962761861883782,4.9681070946192545,4.973452327354727,zero
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+277,13.51,92,4.04615079558123e+17,3.15,1.1474024528375417,94.8,Ring,Acid,1,1.8101992495047055,1.3609106912376296,5.01,1.5407912714732277,1.5425245297171566,1.5426015676212823,1.5410207406756051,1.5438491906179124,1.5413002951813506,1.541922232166225,1.5431774859522505,1.5407620144963898,1.5433461091921963,0.15,0.15,0.15,0.15,0.15,0.15,0.15,0.15,0.15,0.15,0.15,3.72,4.876402909508925,4.875825156760949,4.875799477459575,4.876326419774801,4.875383603127366,4.876233234939552,4.8760259226112606,4.875607504682585,4.87641266183454,4.875551296935938,third
+273,5.55,100,4.6765449087293286e+17,0.67,-0.40047756659712525,86.3,Ring,Enzyme,0,0.03432940627210779,0.022355200421358273,8.7,4.065755379405282,3.10218404494597,2.6273307065595173,2.333848941323045,2.1285103938351084,1.9762848322455964,1.8558125178673002,1.7585569237423495,1.6782996992234698,1.6101542656480594,3.99,1.6728776897026414,1.1910920224729855,0.9536653532797592,0.8069244706615232,0.7042551969175548,0.6281424161227988,0.5679062589336507,0.5192784618711753,0.4791498496117354,0.4450771328240303,4.1,6.4171223102973585,6.898907977527015,7.136334646720241,7.283075529338477,7.385744803082446,7.461857583877202,7.5220937410663495,7.570721538128825,7.6108501503882655,7.64492286717597,third
+272,5.49,96,4.459918547703614e+17,3.87,1.3532545070416904,160.3,Branched,Base,0,0.1632697714536079,0.13258708747468756,7.57,5.697579849767804,4.9903137588705855,4.659821169440642,4.489355187434431,4.39724048052632,4.346384944221733,4.317692805970534,4.3014905912262575,4.292274228294437,4.2870135578191295,3.29,1.4175798497678045,0.7103137588705859,0.37982116944064226,0.20935518743443163,0.11724048052632043,0.06638494422173438,0.03769280597053502,0.021490591226258307,0.012274228294437734,0.007013557819130295,1.35,3.2224201502321956,3.9296862411294144,4.260178830559358,4.430644812565569,4.52275951947368,4.573615055778267,4.602307194029466,4.618509408773742,4.627725771705563,4.63298644218087,second
+276,2.33,91,1.7867634568966717e+17,2.52,0.9242589015233319,82.3,Branched,Acid,0,1.0694348087505827,0.5393746462402278,7.01,0.5409970306674505,0.2814843276667576,0.1902234104535011,0.14374060348064072,0.1153376560819645,0.09648931023972923,0.08279432725164541,0.07255234862015865,0.06462462212337551,0.058195752378578235,0.99,0.99,0.99,0.99,0.99,0.99,0.99,0.99,0.99,0.99,0.99,1.99,5.224501484666274,5.354257836166622,5.399888294773249,5.42312969825968,5.437331171959018,5.446755344880136,5.453602836374178,5.458723825689921,5.4626876889383125,5.465902123810712,second
+272,4.94,93,4.3296657363480634e+17,1.1,0.09531017980432493,161.1,Unknown,Base,0,0.5972709431312602,0.376492938038185,9.49,7.679119983294785,7.641014324350108,7.640026721606967,7.640000909917571,7.639999776457406,7.639999359537316,7.639999683369442,7.639999439453792,7.639999294977213,7.640000190427504,1.85,0.03911998329478611,0.0010143243501081114,2.6721606967283214e-05,9.099175712339749e-07,-2.2354259279317275e-07,-6.404626835642428e-07,-3.1663055694455476e-07,-5.605462070130392e-07,-7.050227851993561e-07,1.9042750521424231e-07,3.63,5.440880016705214,5.478985675649891,5.479973278393032,5.479999090082428,5.480000223542593,5.480000640462683,5.480000316630557,5.480000560546207,5.480000705022786,5.4799998095724956,second
+273,11.09,96,3.552854608053001e+17,3.87,1.3532545070416904,146.0,Linear,Enzyme,0,0.15194589487012533,0.09595416117884831,6.37,1.1540245164731733,0.8231884591292219,0.6735915523184824,0.5842982345818791,0.5228906294577012,0.47793100982725023,0.4424048955112588,0.4138746806271931,0.3904235230277886,0.37051700630465695,4.54,4.54,4.54,4.54,4.54,4.54,4.54,4.54,4.54,4.54,4.54,1.74,3.4786584945089425,3.5889371802902597,3.6388028158938397,3.6685672551393744,3.6890364568474334,3.7040229967242504,3.715865034829581,3.725375106457603,3.7331921589907378,3.739827664565115,third
+272,11.28,94,3.700991133878022e+17,4.17,1.4279160358107101,125.8,Linear,None,1,0.328086990228313,0.23550102516232072,2.82,1.8115889979749664,1.7830329520019081,1.7813529340442376,1.7810086150855657,1.78371944878096,1.7826849466186896,1.7822816569755482,1.7821859157238658,1.7812564489576552,1.7818472348076804,1.65,1.1457944989874833,1.1315164760009542,1.1306764670221188,1.130504307542783,1.1318597243904802,1.1313424733093451,1.1311408284877744,1.131092957861933,1.1306282244788277,1.1309236174038402,4.48,4.984205501012518,4.998483523999046,4.999323532977882,4.999495692457217,4.9981402756095195,4.998657526690654,4.998859171512225,4.998907042138067,4.999371775521172,4.99907638259616,third
+275,10.7,92,3.0048605896595904e+17,1.3,0.26236426446749106,38.1,Ring,Enzyme,1,1.005383613498953,0.6786853591730281,1.47,0.8937540997904823,0.8937067730830315,0.8941235438444107,0.894545764251556,0.8944132530398231,0.8940730288553066,0.8944961261915358,0.895154606551048,0.894710788050318,0.8949079686977723,4.47,4.181877049895241,4.181853386541516,4.182061771922206,4.182272882125779,4.182206626519912,4.1820365144276535,4.182248063095769,4.182577303275525,4.18235539402516,4.1824539843488875,4.67,4.958122950104759,4.958146613458483,4.9579382280777935,4.957727117874221,4.957793373480087,4.957963485572346,4.957751936904231,4.957422696724475,4.957644605974839,4.957546015651112,third
+276,2.11,95,1.8415555076469437e+17,2.01,0.6981347220709843,130.9,Unknown,Base,0,0.1928505839049956,0.13699686878287357,8.35,7.156210970479908,6.133024581433935,5.25467355708626,4.50187291233937,3.858072600710871,3.307835516161091,2.8368374930930766,2.4319660273274555,2.084268047195116,1.7862890743058881,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,3.81,5.0037890295200915,6.026975418566065,6.905326442913739,7.658127087660629,8.301927399289127,8.852164483838909,9.323162506906922,9.728033972672543,10.075731952804883,10.37371092569411,first
+275,12.75,97,1.0471689875712571e+17,1.21,0.1906203596086497,164.5,Branched,Acid,1,0.03933410004777549,0.027376857707328308,5.5,4.18256416435625,3.4358560752228002,2.959402063545979,2.6398944534986044,2.4143573710229456,2.2537453132302283,2.1345186004098493,2.0446766510407013,1.9772792004011501,1.9259310855442713,2.11,2.11,2.11,2.11,2.11,2.11,2.11,2.11,2.11,2.11,2.11,2.51,3.168717917821875,3.5420719623885994,3.7802989682270103,3.940052773250697,4.052821314488527,4.133127343384885,4.192740699795075,4.237661674479649,4.271360399799424,4.297034457227864,second
+272,11.88,99,9.014575071050867e+16,4.34,1.4678743481123135,68.0,Unknown,Base,1,0.008757617173284764,0.005376986043580724,3.47,2.8622472404669006,2.5186989877151027,2.280749630981465,2.112268943997859,1.9844315231976943,1.8852911670083545,1.8075549463200318,1.7447246911022742,1.692123808220626,1.6483615673729295,0.5,0.5,0.5,0.5,0.5,0.5,0.5,0.5,0.5,0.5,0.5,3.59,3.7925842531777,3.9071003374282993,3.986416789672845,4.042577018667381,4.085189492267435,4.118236277663883,4.144148351226656,4.165091769632576,4.182625397259791,4.1972128108756905,third
+280,5.45,92,2.388082619572313e+17,1.16,0.14842000511827322,26.5,Unknown,Acid,1,1.6391518534268263,1.3534079016965113,6.06,2.0759127376213016,2.0784893113244105,2.075422407319674,2.077093270801363,2.077628257028659,2.0753252342800392,2.0790678619121086,2.075885953703683,2.0770534157306297,2.0770926698961953,1.58,1.58,1.58,1.58,1.58,1.58,1.58,1.58,1.58,1.58,1.58,3.23,5.222043631189351,5.220755344337797,5.222288796340164,5.22145336459932,5.221185871485672,5.2223373828599815,5.220466069043947,5.222057023148159,5.221473292134685,5.221453665051903,second
+276,12.57,94,3.273401204881697e+17,4.11,1.4134230285081433,160.6,Ring,Acid,1,0.5300272029118397,0.2748819354739399,3.16,2.503702803865569,2.481946259176304,2.4809011960384924,2.480837256052502,2.480864826293099,2.4808435068428296,2.4807955534145756,2.480779453528708,2.480764548946889,2.4808618036287142,0.38,0.05185140193278445,0.040973129588152406,0.040450598019246525,0.04041862802625146,0.04043241314654981,0.04042175342141523,0.04039777670728843,0.04038972676435458,0.0403822744734451,0.040430901814357635,0.14,0.46814859806721554,0.47902687041184755,0.47954940198075335,0.47958137197374845,0.4795675868534501,0.47957824657858467,0.4796022232927114,0.47961027323564526,0.47961772552655474,0.4795690981856422,third
+276,9.16,94,4.266678924339419e+17,2.86,1.0508216248317612,37.8,Branched,Base,1,0.6908581485880676,0.5052478641518899,7.94,7.057618222864442,7.048496101765441,7.048473560861429,7.04879986574251,7.048300201200773,7.048364107057153,7.048905910605775,7.048280582603237,7.048508255669804,7.04866976134014,1.23,0.347618222864441,0.3384961017654391,0.338473560861427,0.3387998657425087,0.3383002012007713,0.33836410705715164,0.33890591060577424,0.3382805826032354,0.33850825566980347,0.33866976134013943,2.37,3.252381777135559,3.261503898234561,3.2615264391385734,3.261200134257492,3.2616997987992287,3.261635892942848,3.2610940893942257,3.2617194173967645,3.2614917443301965,3.2613302386598604,second
+274,6.77,92,4.0309374071403565e+17,4.44,1.4906543764441336,99.5,Branched,None,0,1.164486235351761,0.6108929876378986,2.02,0.7958842692729203,0.3138720568696455,0.12372975376929492,0.048779707770628865,0.019231797816918514,0.007582593332861045,0.002989731394595555,0.0011788772654007227,0.00046492385813076134,0.00018375510784291365,2.32,2.32,2.32,2.32,2.32,2.32,2.32,2.32,2.32,2.32,2.32,4.89,6.114115730727079,6.596127943130354,6.786270246230705,6.861220292229371,6.890768202183081,6.902417406667139,6.907010268605404,6.908821122734599,6.90953507614187,6.909816244892157,first
+279,6.61,91,1.7321904649433523e+17,4.3,1.4586150226995167,196.9,Linear,Enzyme,1,1.5880914511198045,0.8959524499092139,9.87,1.5041534802189147,1.5043307127515442,1.5041914958716076,1.5036350127517317,1.5034791967252614,1.5027450668617843,1.5028366132690227,1.5021565178735243,1.5023117200518892,1.503398902627441,0.03,0.03,0.03,0.03,0.03,0.03,0.03,0.03,0.03,0.03,0.03,3.23,6.0186155065936955,6.01855642908282,6.0186028347094656,6.018788329082757,6.018840267758248,6.01908497771274,6.01905446224366,6.019281160708826,6.019229426649371,6.018867032457521,third
+270,7.4,93,3.458812407577766e+17,1.65,0.5007752879124892,41.1,Ring,Acid,1,0.3518403419481645,0.2274409280143149,6.01,4.259885477697122,3.9524961764823825,3.8820420457413647,3.864879185425028,3.8605708203224496,3.8594520831861097,3.859333276410813,3.859099803101453,3.859286271121766,3.859195539606127,2.62,0.8698854776971221,0.5624961764823831,0.4920420457413648,0.4748791854250286,0.47057082032245,0.46945208318611004,0.46933327641081324,0.4690998031014532,0.46928627112176624,0.4691955396061276,0.65,2.4001145223028777,2.7075038235176168,2.7779579542586346,2.7951208145749713,2.7994291796775497,2.8005479168138896,2.8006667235891864,2.8009001968985463,2.8007137288782333,2.800804460393872,second
+270,6.33,93,3.232122031163801e+17,4.11,1.4134230285081433,127.7,Unknown,Enzyme,0,0.32878074513999206,0.18996758901252678,4.39,1.330018354249527,0.7843167436901126,0.555647974810033,0.4302130058735581,0.3513301716514453,0.296531057159861,0.2566245639047179,0.22640505717160803,0.20231641365764125,0.18285682572607415,1.34,1.34,1.34,1.34,1.34,1.34,1.34,1.34,1.34,1.34,1.34,3.33,4.859990822875236,5.132841628154944,5.247176012594983,5.3098934970632214,5.349334914174277,5.37673447142007,5.396687718047641,5.4117974714141965,5.42384179317118,5.433571587136963,second
+278,2.86,90,1.083310997397027e+17,2.92,1.0715836162801904,127.3,Ring,Acid,1,1.3293747570103118,0.8762982386162551,8.22,1.6065005893851545,1.6024441870988164,1.6050085180445355,1.606603772705537,1.6048578681487706,1.6045350780370304,1.6050010010959188,1.6069877451067762,1.6049764722670417,1.60533777731439,3.94,3.94,3.94,3.94,3.94,3.94,3.94,3.94,3.94,3.94,3.94,0.6,3.9067497053074236,3.9087779064505925,3.907495740977733,3.906698113647232,3.9075710659256155,3.907732460981486,3.9074994994520416,3.9065061274466126,3.90751176386648,3.9073311113428058,second
+270,9.28,90,4.6126877676651565e+17,3.11,1.1346227261911428,151.9,Ring,Acid,1,1.7855768016724134,1.4632698294357183,1.04,2.1284113586617908,2.209052414648899,2.2153213887534107,2.215648455775889,2.2156515955956606,2.217168904624112,2.216067167326323,2.213294198415439,2.2161178174354754,2.2152619088098655,3.96,3.96,3.96,3.96,3.96,3.96,3.96,3.96,3.96,3.96,3.96,3.88,2.791588641338209,2.710947585351101,2.7046786112465893,2.704351544224111,2.7043484044043393,2.702831095375888,2.703932832673677,2.706705801584561,2.7038821825645245,2.7047380911901344,first
+271,4.12,90,4.879916748851702e+17,3.53,1.2612978709452054,33.7,Branched,Enzyme,0,2.1902236284118723,1.5150506803661754,9.16,5.070317463201072,5.06999989599531,5.070000459616906,5.069998430149075,5.0699998381509355,5.070000592769009,5.0699986873987815,5.069999770522411,5.070000778661429,5.070000130705807,4.09,0.0003174632010711241,-1.0400469027190112e-07,4.5961690427542645e-07,-1.5698509279157076e-06,-1.6184906692803077e-07,5.927690076970892e-07,-1.312601220996603e-06,-2.2947759149932847e-07,7.786614264616258e-07,1.307058039878247e-07,1.5,5.589682536798928,5.59000010400469,5.589999540383094,5.5900015698509256,5.590000161849065,5.589999407230991,5.590001312601219,5.590000229477589,5.589999221338571,5.589999869294193,second
+273,2.17,90,1.9524277790660723e+17,0.86,-0.15082288973458366,45.4,Unknown,Enzyme,1,1.1741999106052496,0.6698047212981973,3.3,2.060424207085225,1.7766961801734305,1.7119290115382775,1.6969392514562716,1.6936617217981838,1.693163021187697,1.6924344010709247,1.6929621639168142,1.6928232380665866,1.6927546685052473,2.13,2.13,2.13,2.13,2.13,2.13,2.13,2.13,2.13,2.13,2.13,1.36,2.599575792914775,2.883303819826569,2.948070988461722,2.9630607485437284,2.9663382782018157,2.966836978812303,2.967565598929075,2.9670378360831853,2.967176761933413,2.9672453314947527,first
+270,13.65,93,1.8593124276080954e+17,1.22,0.19885085874516517,64.0,Linear,None,0,0.1891346055324904,0.14806089656083318,7.01,1.0403641747780228,0.7395267856868977,0.604822369921807,0.5246868994553261,0.4691674646218611,0.4286180168289102,0.3970440161578605,0.3713444195745881,0.35010339391779766,0.33213004957438463,1.72,1.72,1.72,1.72,1.72,1.72,1.72,1.72,1.72,1.72,1.72,2.46,4.449878608407325,4.550157738104368,4.595059210026065,4.621771033514892,4.640277511792714,4.653793994390364,4.664318661280714,4.672885193475138,4.6799655353607355,4.685956650141873,third
+280,11.07,95,2.688031046508161e+17,4.44,1.4906543764441336,173.7,Unknown,Base,0,0.5085422630509091,0.3877099707676447,5.63,3.748111534754063,2.4944774146118265,1.6605315695493474,1.1067906871192617,0.7362448052569888,0.4910018599438516,0.3266432668483675,0.21765062183126904,0.14504296661482147,0.09657006964517165,0.41,0.41,0.41,0.41,0.41,0.41,0.41,0.41,0.41,0.41,0.41,2.73,4.611888465245936,5.865522585388174,6.699468430450652,7.253209312880739,7.623755194743012,7.868998140056149,8.033356733151633,8.142349378168731,8.21495703338518,8.263429930354828,first
+277,11.89,93,7.445200709244765e+16,1.14,0.131028262406404,188.1,Unknown,Acid,0,0.2157651044353029,0.1925756617920987,5.1,1.852937399973027,1.1311474346311017,0.8145789245882125,0.6365515539308849,0.5219047139154923,0.44262637387105486,0.38428362130552723,0.3392081720313715,0.3038085015659362,0.27511787503681095,1.54,1.54,1.54,1.54,1.54,1.54,1.54,1.54,1.54,1.54,1.54,2.55,4.173531300013486,4.534426282684448,4.692710537705893,4.781724223034557,4.839047643042254,4.878686813064473,4.907858189347237,4.930395913984314,4.948095749217032,4.962441062481594,second
+277,11.65,100,3.390521227680086e+17,0.51,-0.6733445532637656,139.7,Linear,None,0,0.04702346606067717,0.030613774339008713,4.25,3.219950350490233,2.595182278096769,2.171239917250599,1.8687092666422451,1.6378182367091738,1.4585058038613916,1.3157703348820746,1.1976844435658474,1.0986842152181875,1.0148046790549363,4.0,4.0,4.0,4.0,4.0,4.0,4.0,4.0,4.0,4.0,4.0,2.55,3.0650248247548832,3.3774088609516153,3.5893800413747003,3.7406453666788773,3.856090881645413,3.945747098069304,4.0171148325589625,4.076157778217076,4.125657892390906,4.1675976604725316,second
+278,12.21,100,1.612310316415995e+17,2.82,1.0367368849500223,110.8,Unknown,None,0,0.026141539595945607,0.017345613783183392,7.15,5.504191561284424,4.47454842962704,3.7705158525848272,3.259215674340574,2.867320441102003,2.5616869302375496,2.3159229650289026,2.1114812826575196,1.9401659621174299,1.7945628768931599,3.25,3.25,3.25,3.25,3.25,3.25,3.25,3.25,3.25,3.25,3.25,1.49,2.312904219357788,2.82772578518648,3.1797420737075863,3.435392162829713,3.6313397794489983,3.784156534881225,3.9070385174855486,4.00925935867124,4.094917018941285,4.1677185615534205,second
+272,8.03,95,3.213162651571566e+17,1.27,0.23901690047049992,119.0,Linear,Enzyme,0,0.18304489511215924,0.11716224497378916,5.49,4.071550498442591,3.4575888518290707,3.134281359349562,2.9468288235884144,2.830848971459994,2.7569101933113207,2.7084787531932473,2.676507426213699,2.6550002040462566,2.640569981903235,2.88,1.4615504984425918,0.8475888518290712,0.5242813593495631,0.33682882358841515,0.2208489714599946,0.14691019331132157,0.09847875319324804,0.06650742621369943,0.04500020404625735,0.030569981903235642,4.14,5.5584495015574085,6.172411148170928,6.495718640650437,6.683171176411585,6.799151028540005,6.873089806688678,6.921521246806751,6.9534925737863,6.974999795953742,6.989430018096764,second
+276,12.14,100,2.251846256209424e+17,1.25,0.22314355131420976,61.0,Linear,Base,0,0.026684618188306513,0.013910625191931694,1.52,1.3842951295317114,1.2641493628129066,1.1571492092579574,1.0613711290677383,0.9754841284291769,0.8982812527207471,0.8286610192834463,0.7656274174207945,0.7082899083988348,0.6558634254461327,4.45,4.314295129531711,4.194149362812907,4.087149209257958,3.9913711290677383,3.905484128429177,3.828281252720747,3.7586610192834464,3.695627417420795,3.6382899083988347,3.585863425446133,3.16,3.2957048704682887,3.4158506371870936,3.522850790742043,3.618628870932262,3.7045158715708233,3.7817187472792533,3.851338980716554,3.9143725825792055,3.9717100916011656,4.024136574553867,second
+277,6.8,96,2.294585065324113e+17,2.31,0.8372475245337022,114.5,Linear,Acid,1,0.18074671189993416,0.10548647958272632,4.88,3.271143738394877,2.6585825949977844,2.3734250394255874,2.227016922867478,2.1495788150847885,2.1064888662727106,2.0832444448185026,2.0695808057437715,2.0624059004571063,2.0583046394926403,4.16,2.5511437383948774,1.9385825949977846,1.6534250394255876,1.5070169228674777,1.4295788150847886,1.3864888662727106,1.3632444448185028,1.349580805743772,1.3424059004571065,1.338304639492641,1.86,3.468856261605123,4.081417405002216,4.366574960574413,4.512983077132523,4.590421184915212,4.63351113372729,4.656755555181498,4.670419194256229,4.677594099542894,4.68169536050736,second
+272,4.19,93,3.216877937050327e+16,3.93,1.3686394258811698,128.3,Branched,Acid,1,0.04437635227288442,0.03129064593058783,7.38,2.231513872890061,1.7870904906942016,1.6392308890404788,1.5793525093491725,1.552394225611472,1.540558351016583,1.534735770252622,1.532648083815089,1.531228699499037,1.5306324491982266,1.27,1.27,1.27,1.27,1.27,1.27,1.27,1.27,1.27,1.27,1.27,3.13,4.846162042369978,4.994303169768599,5.043589703653174,5.063549163550276,5.072535258129509,5.076480549661138,5.078421409915792,5.07911730539497,5.07959043350032,5.079789183600591,third
+273,8.92,93,6.391398647115835e+16,0.71,-0.342490308946776,82.9,Linear,None,0,0.10250267675763501,0.07211384596339993,3.05,1.2923345198231733,0.9579441334389202,0.7957254298998548,0.6951941517665887,0.6251180721671837,0.5724337367037219,0.5316228018698373,0.49833288223207906,0.4704219966661309,0.44673136798604,1.33,1.33,1.33,1.33,1.33,1.33,1.33,1.33,1.33,1.33,1.33,0.06,0.6458884933922754,0.7573519555203597,0.8114248567000482,0.8449352827444702,0.8682939759442718,0.8858554210987591,0.8994590660433873,0.91055570592264,0.9198593344446228,0.9277562106713197,third
+275,12.09,96,3.335841107896497e+17,1.09,0.08617769624105241,36.4,Ring,Base,0,0.1940478378984889,0.16584642898799273,3.79,2.8306151214229347,2.652581850366692,2.5984993009931023,2.5800904608853616,2.5736048418018265,2.5712921986937265,2.570464033496608,2.5701670285779183,2.5700599470420653,2.570021702682333,0.61,0.1303075607114673,0.041290925183345886,0.014249650496551119,0.005045230442681047,0.0018024209009133206,0.0006460993468632063,0.00023201674830395212,8.351428895915456e-05,2.9973521032681415e-05,1.0851341166470127e-05,1.95,2.429692439288533,2.5187090748166545,2.5457503495034493,2.554954769557319,2.558197579099087,2.559353900653137,2.5597679832516964,2.559916485711041,2.5599700264789678,2.559989148658834,third
+274,11.75,94,3.995786836249743e+17,4.77,1.5623463049002497,162.4,Branched,Acid,1,0.47977995751573477,0.2710211671788696,2.58,2.625313798418837,2.649497333458678,2.6612115846732696,2.669334439014279,2.673427006334121,2.6752514330876354,2.6769261059396867,2.67781213623529,2.677851017247502,2.677809612194481,0.32,0.32,0.32,0.32,0.32,0.32,0.32,0.32,0.32,0.32,0.32,4.84,4.794686201581164,4.770502666541322,4.75878841532673,4.750665560985722,4.74657299366588,4.7447485669123655,4.7430738940603145,4.742187863764711,4.742148982752499,4.742190387805519,first
+277,7.04,94,4.120674148070768e+17,1.6,0.47000362924573563,46.8,Ring,None,1,0.7735591945218094,0.4608007562422708,1.45,0.7625680444315464,0.6835417970316335,0.6727427765440395,0.6711445947799746,0.6707576624518119,0.6707339484914601,0.6707164869963713,0.6708736073338707,0.6709611049250578,0.6709958265186731,2.67,1.9825680444315463,1.9035417970316335,1.8927427765440394,1.8911445947799745,1.8907576624518119,1.89073394849146,1.8907164869963715,1.890873607333871,1.8909611049250579,1.8909958265186733,1.35,2.0374319555684535,2.1164582029683663,2.12725722345596,2.1288554052200253,2.1292423375481873,2.129266051508539,2.129283513003628,2.1291263926661284,2.1290388950749413,2.1290041734813263,second
+272,2.8,96,1.9252592050683232e+17,4.68,1.5432981099295553,104.1,Branched,Enzyme,1,0.07048035228408152,0.05079942140953265,9.69,2.007827052285454,1.76224528531239,1.7157144156008766,1.7058676153951744,1.7040185790050075,1.7028835265583027,1.7033950452290292,1.7020464271960614,1.7036786113640545,1.703559784732207,0.88,0.88,0.88,0.88,0.88,0.88,0.88,0.88,0.88,0.88,0.88,4.19,6.750724315904849,6.832584904895869,6.848095194799707,6.851377461534941,6.851993806998331,6.8523721578139,6.852201651590323,6.852651190934646,6.852107129545315,6.852146738422598,third
+275,1.59,92,4.960661370556419e+17,1.55,0.4382549309311553,29.6,Unknown,None,0,1.6597667363462218,1.3462630134220295,2.77,0.27784529813791076,0.07290293952252966,0.022019618127453025,0.00691504250387244,0.0021992028121829137,0.0007023228362350205,0.00022460536844912457,7.193865088436606e-05,2.3003621584799416e-05,7.430391934680106e-06,3.63,1.1378452981379108,0.9329029395225297,0.8820196181274531,0.8669150425038725,0.862199202812183,0.860702322836235,0.8602246053684491,0.8600719386508844,0.8600230036215849,0.8600074303919348,0.55,3.04215470186209,3.247097060477471,3.2979803818725477,3.313084957496128,3.317800797187818,3.319297677163766,3.319775394631552,3.3199280613491164,3.3199769963784163,3.319992569608066,second
+278,10.57,92,3.076207001758167e+17,0.58,-0.5447271754416722,98.9,Unknown,Enzyme,0,1.5889399439282164,1.4169925292760321,9.53,2.6731267854367182,0.7498499355669291,0.210842987470931,0.0592118461941433,0.016614613669635032,0.004670135820582675,0.001312911237420346,0.00036836606107898954,0.00010331892307738868,2.9230147583639438e-05,0.65,0.65,0.65,0.65,0.65,0.65,0.65,0.65,0.65,0.65,0.65,0.15,7.00687321456328,8.93015006443307,9.469157012529067,9.620788153805856,9.663385386330363,9.675329864179416,9.678687088762578,9.679631633938918,9.679896681076919,9.679970769852412,first
+270,6.31,95,4.770511712789531e+17,2.5,0.9162907318741551,81.5,Ring,Enzyme,0,0.19908858435993004,0.17771798199199623,5.46,0.9202707387571989,0.5514557526509913,0.3996362458751024,0.31481727575764973,0.26071687631753454,0.22259219081134154,0.1946819481854502,0.1729336451113063,0.15560833688402612,0.14149217633112057,4.67,2.4001353693786,2.2157278763254955,2.1398181229375512,2.0974086378788246,2.070358438158767,2.0512960954056707,2.037340974092725,2.026466822555653,2.017804168442013,2.0107460881655603,2.03,4.299864630621401,4.484272123674504,4.5601818770624485,4.602591362121175,4.6296415618412325,4.648703904594329,4.662659025907274,4.673533177444346,4.682195831557986,4.689253911834439,third
+275,13.9,95,1.4189379853666869e+17,2.56,0.9400072584914712,24.2,Branched,Enzyme,0,0.12782560963529582,0.0977045012127383,4.32,1.226917685200417,0.8851377758319664,0.7282276413829001,0.6325552532342181,0.5673581577303664,0.5183066625868729,0.48046083164320336,0.45003577874521805,0.424457645858467,0.4027794060762096,1.27,1.27,1.27,1.27,1.27,1.27,1.27,1.27,1.27,1.27,1.27,2.07,3.1010274382665273,3.2149540747226775,3.2672574528723666,3.2991482489219273,3.320880614089878,3.3372311124710423,3.3498463894522654,3.3599880737515937,3.3685141180471776,3.3757401979745967,third
+273,13.19,95,5.276782179973129e+16,1.85,0.6151856390902335,34.4,Branched,Acid,1,0.035060918667596946,0.02801624105939359,8.62,6.44338063111792,6.0366885299868205,5.915358743441882,5.875000333793064,5.861111932252593,5.856317786184591,5.854704189386074,5.854042406699202,5.853908869868546,5.85380667590301,1.49,0.40169031555896006,0.1983442649934103,0.137679371720941,0.11750016689653225,0.11055596612629641,0.10815889309229534,0.10735209469303693,0.10702120334960086,0.10695443493427252,0.10690333795150425,3.2,4.288309684441039,4.491655735006589,4.552320628279058,4.572499833103466,4.579444033873703,4.581841106907704,4.582647905306962,4.582978796650399,4.583045565065727,4.583096662048495,third
+280,9.26,92,4.304059120384295e+17,2.07,0.7275486072772777,194.1,Unknown,None,0,2.954255613526491,1.968006289291426,9.72,0.2659726779909415,0.18820851319821905,0.1536529718890873,0.13300069533646078,0.11902318604633066,0.10864507132331068,0.10053645157921409,0.0940771029471936,0.08874092670276412,0.08416940753732872,0.68,0.68,0.68,0.68,0.68,0.68,0.68,0.68,0.68,0.68,0.68,2.94,6.091342440669687,6.117263828933928,6.128782342703639,6.135666434887848,6.140325604651225,6.1437849762255645,6.146487849473597,6.14864096568427,6.15041969109908,6.151943530820891,third
+279,5.83,95,3.570357656972697e+17,4.07,1.4036429994545037,124.5,Ring,Acid,1,0.5835536802849027,0.5143889474967395,7.3,2.9915748265868123,2.989114472221807,2.9897276136397766,2.9903409899453215,2.9900826844599133,2.9901814833626683,2.9904583503314086,2.990146002034202,2.9902182951066822,2.989758173753356,2.5,0.345787413293406,0.3445572361109031,0.34486380681988826,0.3451704949726605,0.34504134222995647,0.34509074168133397,0.3452291751657043,0.34507300101710076,0.3451091475533409,0.3448790868766777,1.34,3.4942125867065936,3.4954427638890966,3.4951361931801115,3.4948295050273392,3.4949586577700433,3.4949092583186654,3.494770824834295,3.4949269989828986,3.4948908524466584,3.4951209131233214,third
+273,3.48,90,2.8642772887716042e+17,2.28,0.8241754429663494,23.9,Branched,None,1,1.722590803349991,1.133302253221945,9.65,7.133026202836131,7.132874341270208,7.1332518824679765,7.132965117346741,7.132948955153581,7.1334660216054475,7.13285277906648,7.13297271755425,7.133397700839276,7.133087372528351,2.81,0.29302620283613,0.29287434127020695,0.29325188246797557,0.29296511734674013,0.29294895515358005,0.2934660216054468,0.2928527790664784,0.292972717554248,0.2933977008392745,0.29308737252834993,0.66,3.1769737971638703,3.177125658729793,3.1767481175320245,3.1770348826532597,3.17705104484642,3.176533978394553,3.1771472209335214,3.177027282445752,3.176602299160725,3.17691262747165,second
+270,8.02,93,2.0657283400999194e+17,4.96,1.601405740736836,94.7,Linear,None,0,0.21013182558280413,0.1565531265109452,1.08,0.7415463796014137,0.533003310002782,0.393942379803769,0.29734138582794045,0.22708653737091755,0.17547150081586296,0.13660139957556577,0.10681096162936404,0.08396035477570357,0.06624397458035253,2.42,2.0815463796014138,1.8730033100027819,1.733942379803769,1.6373413858279404,1.5670865373709175,1.5154715008158628,1.4766013995755658,1.446810961629364,1.4239603547757036,1.4062439745803526,3.17,3.508453620398586,3.7169966899972176,3.8560576201962307,3.9526586141720594,4.022913462629083,4.074528499184137,4.113398600424434,4.143189038370636,4.166039645224296,4.1837560254196475,second
+278,9.52,93,2.129634498184678e+17,2.28,0.8241754429663494,162.8,Linear,Acid,0,0.7136673445994223,0.5001461926639389,9.44,0.5406612023678558,0.38256507095155184,0.3125623576971778,0.27049801916020744,0.24216277562433633,0.22092900995108564,0.20453244112831198,0.1914473047232729,0.18049942629729454,0.17119869947541727,4.47,4.47,4.47,4.47,4.47,4.47,4.47,4.47,4.47,4.47,4.47,2.76,5.72644626587738,5.779144976349482,5.80247921410094,5.81650066027993,5.825945741458553,5.833023663349637,5.838489186290562,5.842850898425574,5.846500191234234,5.849600433508193,third
+271,6.26,94,3.545582806375483e+17,1.6,0.47000362924573563,159.0,Branched,None,0,0.26961548840542526,0.2216335725637915,5.39,4.344227333448339,3.501398437981937,2.820433910875586,2.271630097521877,1.831579890135847,1.478510882589298,1.1925286774589916,0.9610358481753047,0.7746367978133444,0.6244535566881058,4.06,4.06,4.06,4.06,4.06,4.06,4.06,4.06,4.06,4.06,4.06,1.36,1.36,1.36,1.36,1.36,1.36,1.36,1.36,1.36,1.36,1.36,first
+280,4.52,91,1.9203472612976458e+17,2.95,1.0818051703517284,154.6,Linear,None,0,2.0253898774719437,1.0786814508212363,4.47,0.19559246626556326,0.10690654155305271,0.07399723585126557,0.05665033120655694,0.04599826593935483,0.0386916033611069,0.03345338951442598,0.02943219976387415,0.026279864144538655,0.023741480736186454,3.48,1.3427962331327818,1.2984532707765264,1.2819986179256329,1.2733251656032785,1.2679991329696774,1.2643458016805535,1.261726694757213,1.259716099881937,1.2581399320722693,1.2568707403680932,2.83,4.967203766867217,5.011546729223472,5.0280013820743665,5.03667483439672,5.042000867030322,5.045654198319446,5.048273305242787,5.050283900118062,5.051860067927731,5.053129259631906,third
+277,13.99,95,2.078405945066202e+17,1.86,0.62057648772511,36.5,Linear,Base,0,0.25274125470538455,0.15711233920684173,8.6,7.025655857374488,5.7390729407436485,4.686668098062128,3.8285033120630683,3.129372037351101,2.5577094589697507,2.0890075939868447,1.706363731642364,1.3944212873629471,1.1395668499444274,2.32,2.32,2.32,2.32,2.32,2.32,2.32,2.32,2.32,2.32,2.32,2.29,3.864344142625511,5.150927059256351,6.203331901937871,7.061496687936931,7.760627962648899,8.332290541030249,8.800992406013155,9.183636268357635,9.495578712637052,9.750433150055573,first
+273,11.46,91,8.712908091457962e+16,0.56,-0.579818495252942,172.5,Ring,Enzyme,0,0.33727768595718555,0.2588275767386201,3.18,2.427977128041806,1.8533889063921232,1.414739995061192,1.0808497745294117,0.8253218903389803,0.6297743847349397,0.4810876607122002,0.36768638053982056,0.2807251547834131,0.21434852820892916,4.16,4.16,4.16,4.16,4.16,4.16,4.16,4.16,4.16,4.16,4.16,0.51,1.2620228719581945,1.8366110936078772,2.2752600049388083,2.6091502254705885,2.86467810966102,3.06022561526506,3.2089123392878,3.3223136194601794,3.409274845216587,3.4756514717910707,first
+274,9.86,98,3.958815468763202e+17,1.79,0.5822156198526637,90.7,Unknown,Enzyme,0,0.0821160438942588,0.04216328211324664,1.51,1.4139918293598677,1.3240880722828956,1.2398987906253909,1.1610555423703992,1.087225911230022,1.0180958676774088,0.9533674478527858,0.8927587535634554,0.8360039522837959,0.7828532771552623,3.21,3.21,3.21,3.21,3.21,3.21,3.21,3.21,3.21,3.21,3.21,3.79,3.886008170640132,3.975911927717104,4.06010120937461,4.1389444576296,4.212774088769978,4.281904132322591,4.346632552147215,4.407241246436545,4.463996047716204,4.517146722844738,first
+274,2.56,96,8.034714627616314e+16,1.24,0.2151113796169455,162.7,Unknown,Enzyme,1,0.04009790947855419,0.022016907691509463,9.55,9.310248650034968,9.082119874772204,8.865048637951455,8.658495214396343,8.461955830890744,8.274948510775976,8.097011504958,7.927703291907429,7.766602577659527,7.613308295814207,2.08,2.08,2.08,2.08,2.08,2.08,2.08,2.08,2.08,2.08,2.08,3.44,3.679751349965032,3.9078801252277957,4.124951362048546,4.331504785603658,4.528044169109256,4.715051489224025,4.892988495042001,5.062296708092571,5.223397422340473,5.376691704185793,first
+270,12.97,97,9.630174558831814e+16,1.63,0.4885800148186709,144.5,Ring,Acid,1,0.016488392514533143,0.008770410711839871,7.16,3.2419435452629024,2.477951090075509,2.125216065703078,1.9244835141188945,1.7946478646237936,1.7085452979818723,1.646959295248447,1.6025402602084167,1.5708120409399529,1.5471798612776997,1.03,1.03,1.03,1.03,1.03,1.03,1.03,1.03,1.03,1.03,1.03,4.1,5.4060188182457,5.660682969974831,5.778261311432308,5.8451721619603685,5.8884507117920695,5.917151567339376,5.937680234917185,5.952486579930528,5.963062653020016,5.970940046240767,third
+275,13.61,98,4.326609130538973e+17,3.58,1.275362800412609,89.4,Branched,None,0,0.10494194349425633,0.088324340621892,5.67,2.9169910676526207,1.9591674145058946,1.476866581310547,1.1833220166027192,0.9886172225975232,0.8475515400416798,0.7427065704515916,0.6609169105885098,0.5948985012198434,0.5408793685871067,2.56,2.56,2.56,2.56,2.56,2.56,2.56,2.56,2.56,2.56,2.56,4.29,5.666504466173689,6.145416292747052,6.386566709344726,6.53333899169864,6.630691388701239,6.70122422997916,6.753646714774204,6.794541544705745,6.827550749390078,6.854560315706447,second
+275,7.76,90,6.570916192278045e+16,4.83,1.5748464676644813,32.9,Branched,None,1,0.5272728557857328,0.4068426173475915,9.98,1.5103922342488192,1.5098336761895392,1.5089905391009615,1.512034956469338,1.5103752439137907,1.5094431453687047,1.5109321116729117,1.5108310111414855,1.5090314024145177,1.5114992441816741,4.51,4.51,4.51,4.51,4.51,4.51,4.51,4.51,4.51,4.51,4.51,1.64,4.463202588583728,4.463388774603489,4.463669820299682,4.462655014510224,4.46320825202874,4.463518951543769,4.463022629442367,4.463056329619509,4.463656199195165,4.46283358527278,third
+280,8.72,96,2.4835031502943827e+17,3.2,1.1631508098056809,109.4,Branched,Acid,0,0.3057725271667281,0.2476985429292981,1.85,0.7554961169704967,0.5579820967088303,0.4624444596058355,0.4035899348650048,0.3627083279967466,0.33234119369729104,0.30820678664348855,0.2887724765283257,0.2727545460854206,0.25910064215736067,4.96,4.96,4.96,4.96,4.96,4.96,4.96,4.96,4.96,4.96,4.96,1.51,1.874834627676501,1.9406726344303897,1.9725185134647214,1.9921366883783316,2.005763890667751,2.0158862687675696,2.023931071118837,2.030409174490558,2.035748484638193,2.0402997859475462,third
+278,6.43,95,3.467775991163498e+17,4.6,1.5260563034950492,123.5,Linear,Base,0,0.4891470490113978,0.2953487976139954,4.19,2.832926732423017,1.9155291426024208,1.2938388710881372,0.8765143478219894,0.5925889206049937,0.4007281568917017,0.2713559386503676,0.1833089886686789,0.124152119729279,0.08397988295359168,3.4,3.4,3.4,3.4,3.4,3.4,3.4,3.4,3.4,3.4,3.4,0.84,0.84,0.84,0.84,0.84,0.84,0.84,0.84,0.84,0.84,0.84,first
+275,3.29,93,3.1236899477911066e+17,1.18,0.16551443847757333,111.3,Unknown,None,1,0.6748766294333484,0.4248323156642518,2.44,1.8641390732566772,1.6257681323778563,1.5266918957040787,1.4859213577188468,1.4683891442346364,1.4616950394283015,1.4583570523722826,1.457532715356491,1.4568816076256585,1.4566139144976316,1.72,1.72,1.72,1.72,1.72,1.72,1.72,1.72,1.72,1.72,1.72,1.33,1.9058609267433229,2.144231867622144,2.2433081042959215,2.2840786422811536,2.301610855765364,2.3083049605716988,2.3116429476277176,2.312467284643509,2.3131183923743417,2.3133860855023687,first
+274,9.67,95,2.5281230628329517e+17,3.52,1.2584609896100056,24.0,Unknown,Acid,0,0.19570131451657913,0.10087795395741438,9.31,2.3831749486639464,1.3660303811440482,0.9577216344059418,0.7379957235967572,0.5994728472221775,0.505470702105037,0.43622744569572375,0.38411766173140904,0.34323826688814274,0.3099285557452969,0.61,0.61,0.61,0.61,0.61,0.61,0.61,0.61,0.61,0.61,0.61,1.39,4.853412525668027,5.361984809427976,5.56613918279703,5.676002138201622,5.745263576388911,5.792264648947482,5.826886277152139,5.852941169134296,5.873380866555929,5.890035722127352,second
+278,13.61,91,3.2953946897433754e+17,2.01,0.6981347220709843,36.8,Ring,Base,1,2.6236176187207367,1.933063113715319,3.81,2.7353294048613894,2.70708854815012,2.706824007409593,2.706317851474514,2.7072679693160966,2.7076560060270545,2.7082077802659947,2.7112926477783277,2.7075887924838473,2.706877896415113,2.02,2.02,2.02,2.02,2.02,2.02,2.02,2.02,2.02,2.02,2.02,2.57,3.6446705951386105,3.6729114518498798,3.673175992590407,3.673682148525486,3.6727320306839033,3.6723439939729454,3.671792219734005,3.668707352221672,3.6724112075161526,3.673122103584887,first
+280,2.42,94,2.5320939917340006e+17,1.63,0.4885800148186709,185.5,Ring,Enzyme,0,0.7360911852825998,0.5838396273844143,7.27,0.763085700975938,0.40230192174742385,0.27325667690140876,0.20700173469137015,0.16656623399767057,0.13933240716510115,0.11970231177529439,0.1050625344782263,0.09350891614413223,0.08423289184851893,2.47,2.47,2.47,2.47,2.47,2.47,2.47,2.47,2.47,2.47,2.47,2.33,5.583457149512031,5.7638490391262875,5.828371661549295,5.861499132654314,5.881716883001165,5.895333796417449,5.905148844112353,5.912468732760886,5.918245541927933,5.9228835540757405,second
+279,13.5,94,4.360870820433515e+17,3.0,1.0986122886681098,106.0,Branched,Enzyme,0,1.0969074972846398,0.8764483106278156,4.25,3.3724740021722877,2.494948004344576,1.617422006516864,0.7398960086891524,-0.13762998913855995,-1.015155986966274,-1.8926819847939864,-2.7702079826217005,-3.6477339804494138,-4.525259978277129,4.43,4.43,4.43,4.43,4.43,4.43,4.43,4.43,4.43,4.43,4.43,2.52,3.3975259978277124,4.275051995655424,5.152577993483137,6.030103991310848,6.90762998913856,7.7851559869662745,8.662681984793988,9.540207982621702,10.417733980449414,11.29525997827713,zero
+278,6.21,95,1.9875415876821152e+17,4.92,1.5933085305042167,121.4,Branched,Base,1,0.2803526251059675,0.21994575030337196,8.56,2.4793350165341943,2.153742600322365,2.1158256472936143,2.1108476358921133,2.1097472783737055,2.1100540831571,2.109212849084895,2.1109551613572886,2.110983584814861,2.11054698075918,2.65,2.65,2.65,2.65,2.65,2.65,2.65,2.65,2.65,2.65,2.65,2.45,5.490332491732903,5.653128699838818,5.672087176353194,5.674576182053944,5.675126360813148,5.674972958421451,5.675393575457553,5.674522419321357,5.674508207592571,5.674726509620412,second
+277,11.65,91,3.2553290318001024e+17,3.8,1.33500106673234,152.4,Unknown,None,0,2.248323116408878,1.529829255620897,4.47,2.6713415068728947,0.8726830137457944,-0.9259754793813091,-2.7246339725084123,-4.523292465635516,-6.3219509587626215,-8.120609451889731,-9.919267945016834,-11.717926438143945,-13.516584931271055,0.5,0.5,0.5,0.5,0.5,0.5,0.5,0.5,0.5,0.5,0.5,0.3,2.0986584931271057,3.8973169862542054,5.695975479381309,7.494633972508412,9.293292465635515,11.091950958762622,12.89060945188973,14.689267945016836,16.487926438143944,18.286584931271054,zero
+275,6.31,96,5.183340704574489e+16,4.27,1.451613827240533,110.6,Branched,None,1,0.030151797531152602,0.02567418427389355,5.69,5.599961139677017,5.513855028179322,5.4315097863798965,5.352760106322393,5.277449987318669,5.205430116143525,5.136556932115671,5.070692627097733,5.007705145496243,4.947468184261645,2.12,2.12,2.12,2.12,2.12,2.12,2.12,2.12,2.12,2.12,2.12,2.2,2.2900388603229827,2.376144971820678,2.458490213620104,2.537239893677607,2.6125500126813312,2.6845698838564758,2.7534430678843282,2.8193073729022666,2.8822948545037574,2.942531815738355,first
+274,12.44,92,1.952641042670742e+17,1.09,0.08617769624105241,43.6,Linear,Base,0,0.5640930104112172,0.3973371544769471,7.27,0.6066385495392844,0.4297953996208672,0.35104156252551366,0.30433694548782986,0.27204649899266947,0.2485273965498822,0.23011602726330496,0.21519606784402798,0.20288235242885216,0.1924612072343302,4.5,4.5,4.5,4.5,4.5,4.5,4.5,4.5,4.5,4.5,4.5,0.25,2.4711204834869056,2.5300682001263777,2.5563194791581623,2.57188768483739,2.5826511670024437,2.590490867816706,2.596627990912232,2.6016013107186575,2.6057058825237163,2.609179597588557,third
+270,4.23,91,1.6043163910721126e+17,1.8,0.5877866649021191,133.8,Unknown,Enzyme,1,0.39778269003063055,0.24781729719332887,8.58,2.829940848119805,2.8079198127870093,2.8078184121934204,2.8084600288695016,2.8076183595728996,2.807062817393156,2.8072806272042885,2.8084356655715674,2.808093141248647,2.807774935260612,3.27,0.39497042405990335,0.3839599063935055,0.383909206096711,0.38423001443475147,0.3838091797864504,0.38353140869657854,0.3836403136021448,0.3842178327857845,0.3840465706243241,0.3838874676303065,1.97,4.845029575940097,4.856040093606494,4.85609079390329,4.855769985565249,4.85619082021355,4.856468591303422,4.856359686397855,4.855782167214215,4.855953429375675,4.856112532369694,third
+275,11.62,96,1.855643914643739e+17,1.16,0.14842000511827322,108.3,Unknown,Base,1,0.10794389717595569,0.08622790133513221,1.37,1.0415378328811116,0.962311610713377,0.9405423751210764,0.9342109050319571,0.9320469017968185,0.9317934376022428,0.9312839931209813,0.9315343969143136,0.9314720454330698,0.9314007456335135,3.58,3.4157689164405562,3.3761558053566887,3.3652711875605386,3.362105452515979,3.3610234508984096,3.360896718801122,3.3606419965604912,3.3607671984571574,3.3607360227165355,3.3607003728167575,3.43,3.594231083559444,3.6338441946433115,3.6447288124394617,3.647894547484021,3.6489765491015906,3.649103281198878,3.649358003439509,3.649232801542843,3.6492639772834647,3.6492996271832427,third
+279,6.54,91,1.717607758988e+17,4.79,1.5665304114228238,177.9,Unknown,Enzyme,1,1.5747218643852152,0.9944618637050292,5.63,3.7365418665232073,3.7355462002197575,3.7353429001551866,3.735972221953078,3.7361724472359468,3.737201339898418,3.7358004475304845,3.735115322270813,3.735691706689382,3.7354603436526195,3.03,1.1365418665232068,1.1355462002197565,1.1353429001551858,1.1359722219530768,1.1361724472359456,1.1372013398984167,1.1358004475304828,1.1351153222708117,1.1356917066893804,1.1354603436526174,4.82,6.713458133476792,6.714453799780242,6.714657099844814,6.714027778046923,6.713827552764053,6.7127986601015825,6.714199552469517,6.714884677729188,6.714308293310618,6.714539656347381,second
+271,3.57,99,2.419818635102595e+17,4.45,1.4929040961781488,129.9,Branched,None,0,0.020001679704769532,0.013966333709705027,4.22,4.015408475439928,3.83257948658072,3.6680687783353587,3.5193179778467534,3.3844318349931704,3.2616846973584255,3.1495194295032345,3.0465474129652144,2.951548546258882,2.8634712448756545,3.21,3.005408475439928,2.8225794865807203,2.658068778335359,2.5093179778467536,2.3744318349931706,2.2516846973584257,2.1395194295032347,2.0365474129652146,1.9415485462588822,1.8534712448756547,1.33,1.5345915245600723,1.7174205134192797,1.8819312216646416,2.030682022153247,2.16556816500683,2.288315302641575,2.4004805704967658,2.503452587034786,2.5984514537411183,2.6865287551243457,second
+271,6.3,94,4.384630806473087e+16,4.62,1.5303947050936475,47.9,Linear,Enzyme,0,0.03334189161339029,0.02054828042122819,2.64,2.5705127776930885,2.5028545244318234,2.4369770970406965,2.372833533879397,2.310378270430491,2.2495669576240456,2.1903563372683506,2.1327042420499183,2.0765695955334844,2.0219124121620062,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,3.16,3.2294872223069118,3.297145475568177,3.3630229029593037,3.427166466120603,3.4896217295695093,3.5504330423759547,3.6096436627316497,3.667295757950082,3.723430404466516,3.778087587837994,first
+270,1.24,95,4.662252335197322e+17,3.75,1.3217558399823195,64.3,Unknown,Base,1,0.1945705771678008,0.12640330616787576,5.28,5.269978386418272,5.266947987322145,5.265350616460775,5.26480902748217,5.264490331441866,5.264486403808186,5.264428300960191,5.264336598658213,5.264425997396197,5.264479405753635,0.31,0.2999783864182709,0.29694798732214484,0.2953506164607741,0.2948090274821691,0.2944903314418654,0.29448640380818486,0.29442830096019,0.29433659865821254,0.2944259973961965,0.294479405753634,2.37,2.380021613581729,2.383052012677855,2.384649383539226,2.385190972517831,2.385509668558135,2.3855135961918155,2.38557169903981,2.3856634013417874,2.3855740026038035,2.385520594246366,second
+278,11.48,100,2.2233415647675478e+17,3.4,1.2237754316221157,171.9,Unknown,Acid,1,0.03604862597411209,0.019209703796593522,2.13,2.0059463907657027,1.900157450233131,1.8092460051484671,1.7304759558616272,1.662358064312474,1.6035293954491128,1.552661633691686,1.5084610829323746,1.4696686665353957,1.4350599273370053,3.1,2.975946390765703,2.8701574502331315,2.7792460051484675,2.700475955861627,2.6323580643124744,2.5735293954491127,2.522661633691686,2.4784610829323745,2.439668666535396,2.4050599273370055,3.64,3.7640536092342973,3.8698425497668687,3.9607539948515327,4.039524044138373,4.107641935687526,4.166470604550887,4.217338366308314,4.261538917067625,4.300331333464604,4.334940072662994,second
+270,11.83,100,1.6782782833764042e+17,2.28,0.8241754429663494,58.5,Unknown,Base,1,0.0075509619584855645,0.006619239966363141,6.41,6.3873990965824765,6.365052953930071,6.342958700405538,6.321113496559182,6.299514534560504,6.278159039373149,6.257044267045294,6.236167503969769,6.2155260668840535,6.195117302870281,0.89,0.89,0.89,0.89,0.89,0.89,0.89,0.89,0.89,0.89,0.89,3.02,3.042600903417523,3.064947046069929,3.0870412995944623,3.1088865034408184,3.1304854654394965,3.1518409606268514,3.172955732954706,3.1938324960302316,3.214473933115947,3.2348826971297195,first
+272,13.77,95,2.3069965438898986e+17,3.7,1.308332819650179,71.5,Unknown,Base,0,0.13142314479284148,0.08093708429012397,6.97,6.499655105110657,6.275843014177949,6.162919342007945,6.104571859099898,6.074034869756306,6.05801850985872,6.049541594102401,6.045050646841989,6.042680959343296,6.041420729099151,0.93,0.45965510511065744,0.23584301417794878,0.1229193420079451,0.06457185909989831,0.034034869756306485,0.01801850985872036,0.009541594102401303,0.005050646841989463,0.0026809593432968425,0.0014207290991518427,4.36,4.830344894889343,5.054156985822051,5.167080657992055,5.225428140900102,5.255965130243694,5.27198149014128,5.280458405897599,5.284949353158011,5.287319040656704,5.288579270900849,second
+276,7.7,98,1.2067073792241776e+17,2.05,0.7178397931503168,48.9,Unknown,None,1,0.03418611747034556,0.021666478626927107,9.1,8.899321426131689,8.70741223718467,8.523888190488531,8.348381082519461,8.18054401245811,8.020043610782828,7.866559370125904,7.71978364527356,7.5794216531659595,7.4451914728972,3.74,3.74,3.74,3.74,3.74,3.74,3.74,3.74,3.74,3.74,3.74,2.52,2.7206785738683097,2.912587762815329,3.0961118095114686,3.2716189174805392,3.4394559875418897,3.599956389217171,3.753440629874096,3.9002163547264392,4.040578346834041,4.174808527102799,first
+275,10.89,90,3.223838979035795e+17,2.56,0.9400072584914712,75.5,Linear,Enzyme,0,2.586918985615997,1.5143986356376278,5.85,0.7400780576453156,0.09366372314698468,0.01184715363291734,0.0014983508421728808,0.00018968447704615274,2.416990361130379e-05,3.187893147044001e-06,5.282783125762412e-07,2.1907774762351546e-07,5.0595319679112666e-08,4.78,4.78,4.78,4.78,4.78,4.78,4.78,4.78,4.78,4.78,4.78,0.33,0.33,0.33,0.33,0.33,0.33,0.33,0.33,0.33,0.33,0.33,first
+270,12.82,100,3.9727334715265395e+17,1.71,0.5364933705145685,100.7,Linear,Enzyme,1,0.01787424625095459,0.01150337682828603,2.27,2.1345963146190634,2.01299362086102,1.903354894683326,1.8041639077430014,1.7142871522651593,1.6326945659354235,1.558448809485493,1.4907052666931417,1.4287120443822199,1.371809972422652,4.87,4.734596314619063,4.612993620861021,4.5033548946833255,4.404163907743001,4.314287152265159,4.232694565935423,4.158448809485493,4.090705266693142,4.028712044382219,3.971809972422652,1.64,1.775403685380937,1.89700637913898,2.0066451053166743,2.1058360922569985,2.195712847734841,2.277305434064577,2.3515511905145075,2.419294733306858,2.4812879556177805,2.538190027577348,second
+274,8.39,100,4.498592006611414e+17,1.2,0.1823215567939546,180.7,Linear,None,0,0.038783844040404705,0.02947971529353728,2.35,2.3189729247676767,2.287945849535353,2.256918774303029,2.225891699070705,2.1948646238383813,2.1638375486060575,2.1328104733737336,2.10178339814141,2.0707563229090864,2.0397292476767626,1.73,1.73,1.73,1.73,1.73,1.73,1.73,1.73,1.73,1.73,1.73,4.86,4.891027075232324,4.922054150464648,4.953081225696971,4.984108300929295,5.015135376161619,5.0461624513939425,5.077189526626266,5.10821660185859,5.139243677090914,5.170270752323238,zero
+273,10.69,91,1.0824408482972794e+17,4.56,1.5173226235262947,26.1,Unknown,Enzyme,0,0.4190141117833698,0.3387667204142672,9.15,6.5435957033741925,4.67935300904097,3.3476666473811902,2.392816590830255,1.712350035345985,1.2250508689487842,0.8755173068245689,0.6269818436987962,0.4486458283584348,0.3208766897940726,0.32,0.32,0.32,0.32,0.32,0.32,0.32,0.32,0.32,0.32,0.32,0.01,2.6164042966258076,4.480646990959031,5.81233335261881,6.7671834091697445,7.4476499646540155,7.934949131051217,8.284482693175432,8.533018156301205,8.711354171641565,8.839123310205927,first
+270,5.8,96,1.0999722194689234e+17,3.8,1.33500106673234,95.1,Branched,None,1,0.02940319282427593,0.021109024477259344,7.9,2.600205748460527,1.9825639427164914,1.7313733406302023,1.6010370772508402,1.5282524108600433,1.4833785743675358,1.4566681706162101,1.4395192808794925,1.4284426876767269,1.4214675819399927,3.29,3.29,3.29,3.29,3.29,3.29,3.29,3.29,3.29,3.29,3.29,1.73,3.4965980838464916,3.7024786857611702,3.7862088864566,3.829654307583054,3.853915863046653,3.8688738085441554,3.877777276461264,3.8834935730401696,3.887185770774425,3.889510806020003,third
+274,13.45,99,3.543026116177433e+17,4.75,1.55814461804655,79.2,Linear,Base,0,0.04737975990942129,0.02544207472956637,4.83,4.650350797639068,4.4773835654847245,4.3108497194047235,4.15050896208329,3.9961318222868325,3.847497444951258,3.704392390144804,3.5666106330680414,3.433953564053874,3.3062299885675372,1.55,1.55,1.55,1.55,1.55,1.55,1.55,1.55,1.55,1.55,1.55,2.59,2.59,2.59,2.59,2.59,2.59,2.59,2.59,2.59,2.59,2.59,first
+280,5.23,91,1.4221604740923784e+17,2.77,1.0188473201992472,56.0,Ring,Base,1,1.4999523713336078,0.7684854398527577,5.39,3.129710206989907,2.762101610678671,2.7015742022104114,2.691920702416877,2.6906722293275944,2.689414384653066,2.6903955418805134,2.6869353015545223,2.693669884148619,2.6908122161949635,4.84,4.84,4.84,4.84,4.84,4.84,4.84,4.84,4.84,4.84,4.84,2.55,4.810289793010092,5.177898389321329,5.2384257977895885,5.248079297583123,5.249327770672406,5.2505856153469335,5.249604458119487,5.253064698445478,5.246330115851381,5.249187783805038,first
+272,3.92,100,2.4287022070416726e+17,1.43,0.3576744442718159,109.8,Branched,None,1,0.015162433559754423,0.013606410942973806,4.1,3.7373562335661736,3.438161282197071,3.1873336769373997,2.9755192333315774,2.7950370459715486,2.6393078310572515,2.5029849465093577,2.383310363308791,2.277889717498487,2.1845236650910986,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.32,0.5013218832169131,0.6509193589014644,0.7763331615313,0.8822403833342112,0.9724814770142256,1.0503460844713741,1.118507526745321,1.1783448183456045,1.2310551412507564,1.2777381674544506,second
+270,13.39,99,2.731050902651306e+17,4.67,1.541159071680806,118.7,Unknown,None,0,0.019183891925954794,0.013756624885309713,4.17,3.947869640550997,3.749631095780126,3.5715386875645625,3.410599063635497,3.264700188541593,3.131956442898215,3.0106743886640035,2.8993527691408763,2.796682508974027,2.7015467141519287,3.68,3.4578696405509968,3.2596310957801258,3.0815386875645623,2.9205990636354966,2.7747001885415927,2.641956442898215,2.5206743886640033,2.409352769140876,2.306682508974027,2.2115467141519285,4.66,4.882130359449003,5.080368904219874,5.258461312435437,5.419400936364504,5.565299811458408,5.698043557101785,5.819325611335996,5.930647230859123,6.033317491025973,6.128453285848071,second
+270,3.45,91,2.715680338367622e+17,1.41,0.34358970439007686,139.4,Unknown,Enzyme,0,0.6733401442948976,0.43918845031981074,7.14,4.165067983044942,2.4308937712196723,1.4186641832155031,0.8284014041414027,0.4838947303452651,0.28227985876408346,0.16502110544677787,0.09620656755972093,0.05625292828849812,0.032825891452925235,4.34,4.34,4.34,4.34,4.34,4.34,4.34,4.34,4.34,4.34,4.34,4.48,4.48,4.48,4.48,4.48,4.48,4.48,4.48,4.48,4.48,4.48,first
+275,2.13,91,4.674471382866648e+17,3.03,1.1085626195212777,191.8,Unknown,Base,1,2.4220939553527003,1.3104978054466743,6.11,3.415198897943569,3.279209021417225,3.272608615041741,3.271864326916581,3.2697534067578307,3.2720439262635943,3.2731576787570855,3.274059560654919,3.275527613332797,3.273323575884008,3.94,3.94,3.94,3.94,3.94,3.94,3.94,3.94,3.94,3.94,3.94,3.21,5.904801102056432,6.040790978582775,6.047391384958259,6.04813567308342,6.0502465932421705,6.047956073736407,6.0468423212429165,6.045940439345082,6.044472386667205,6.046676424115994,first
+273,5.55,93,3.265868622968486e+17,0.69,-0.37106368139083207,138.5,Linear,Enzyme,0,0.5237668533539279,0.2848438051078645,9.65,6.346596628764689,4.172609240146977,2.7443461687966586,1.806713574764689,1.1874677867113186,0.7823749662254715,0.514058147405435,0.33860215566938034,0.22277619209373672,0.14655316643500355,2.84,2.84,2.84,2.84,2.84,2.84,2.84,2.84,2.84,2.84,2.84,4.61,7.913403371235312,10.087390759853024,11.515653831203343,12.453286425235312,13.072532213288683,13.47762503377453,13.745941852594568,13.921397844330622,14.037223807906265,14.113446833565,first
+279,4.94,93,3.6049963009829203e+17,3.1,1.1314021114911006,41.3,Linear,None,0,1.3954982624822738,1.1099964920094207,8.08,2.649721154557575,0.8685638804151866,0.28458787643187894,0.09324829163725845,0.03056410800425185,0.010022923834270992,0.003288129304412816,0.0010787760607085682,0.0003538847259018244,0.00011620073442649815,0.19,0.19,0.19,0.19,0.19,0.19,0.19,0.19,0.19,0.19,0.19,0.34,0.34,0.34,0.34,0.34,0.34,0.34,0.34,0.34,0.34,0.34,first
+271,13.98,92,3.5904616850808915e+17,3.55,1.2669476034873244,34.5,Ring,Base,1,0.6633105766255307,0.4653871963132446,8.05,2.144350294970608,2.124938389759099,2.1236772431382307,2.1235911760363577,2.1260724057669655,2.122716333659302,2.127317972566186,2.1232268302169244,2.126744403658813,2.125213787494605,2.07,2.07,2.07,2.07,2.07,2.07,2.07,2.07,2.07,2.07,2.07,3.47,6.4228248525146965,6.432530805120451,6.433161378430885,6.433204411981821,6.431963797116517,6.433641833170348,6.4313410137169065,6.4333865848915375,6.4316277981705925,6.432393106252697,second
+279,11.32,98,4.5706051934715686e+17,1.72,0.5423242908253617,20.8,Unknown,Base,1,0.20495556573577733,0.12301298877006173,8.02,2.435675035947851,1.7375491587049416,1.5436985502430003,1.4803051456123815,1.4581553702530026,1.4509231346303106,1.4480261024057597,1.4473249452406176,1.4467836257277311,1.4468253405755165,1.67,1.67,1.67,1.67,1.67,1.67,1.67,1.67,1.67,1.67,1.67,0.2,2.9921624820260737,3.341225420647529,3.4381507248784993,3.4698474271938085,3.4809223148734985,3.484538432684844,3.4859869487971196,3.4863375273796904,3.4866081871361336,3.486587329712241,second
+273,11.99,93,4.260218982196596e+16,0.86,-0.15082288973458366,143.1,Branched,Enzyme,0,0.06832367582733949,0.035067772032027954,6.46,6.405341059338128,6.350682118676256,6.296023178014385,6.2413642373525136,6.186705296690643,6.132046356028771,6.077387415366899,6.022728474705027,5.968069534043155,5.913410593381284,1.29,1.29,1.29,1.29,1.29,1.29,1.29,1.29,1.29,1.29,1.29,3.26,3.3146589406618716,3.369317881323743,3.423976821985615,3.4786357626474866,3.533294703309358,3.58795364397123,3.6426125846331012,3.697271525294973,3.7519304659568444,3.8065894066187163,zero
+276,2.41,100,3.850812564599554e+17,2.61,0.959350221334602,150.3,Linear,Enzyme,0,0.04563253939638229,0.03128302945405564,2.26,1.561591744165462,1.261326589840259,1.0858850848303567,0.9693842905779384,0.8827762819028251,0.8159245811295597,0.7628143674372334,0.7186468773760715,0.681152645373334,0.6489753579165844,1.51,1.51,1.51,1.51,1.51,1.51,1.51,1.51,1.51,1.51,1.51,3.75,3.982802751944846,4.082891136719914,4.141371638389881,4.180205236474021,4.209074572699058,4.231358472956813,4.249061877520922,4.263784374207977,4.276282451542222,4.287008214027805,third
+273,12.03,93,3.399375208070199e+17,3.08,1.1249295969854831,115.1,Unknown,Base,0,0.5451781016475575,0.2846556786308406,9.89,8.114455923187737,8.071312640450195,8.070038938225656,8.070001186980498,8.070000149715293,8.070000322357066,8.070001075632813,8.07000080658624,8.07000042744943,8.070000667493316,1.82,0.04445592318773777,0.0013126404501932068,3.89382256539188e-05,1.186980496288245e-06,1.4971529265196974e-07,3.2235706424022974e-07,1.0756328122015235e-06,8.065862374889538e-07,4.2744942942785326e-07,6.674933151880812e-07,3.72,5.495544076812263,5.538687359549809,5.539961061774347,5.539998813019505,5.539999850284708,5.539999677642937,5.53999892436719,5.539999193413764,5.539999572550571,5.539999332506685,second
+276,6.21,96,2.1956005506747898e+17,1.5,0.4054651081081644,122.3,Branched,Base,1,0.14870538577572626,0.0861185499587214,6.3,5.671985879215329,5.1513569431548225,4.719314053938544,4.3617989838874,4.066332959903042,3.821609073412864,3.6180583610655987,3.449311499873985,3.3095998735630743,3.193826261157603,4.16,4.16,4.16,4.16,4.16,4.16,4.16,4.16,4.16,4.16,4.16,0.88,1.5080141207846705,2.028643056845177,2.460685946061455,2.8182010161125994,3.113667040096957,3.3583909265871354,3.5619416389344005,3.730688500126014,3.870400126436925,3.986173738842396,first
+279,3.81,98,1.2818106125570112e+17,0.85,-0.16251892949777494,195.5,Branched,Acid,0,0.05747908824809323,0.05089552497382505,3.55,2.976999053198045,2.553660279448313,2.227458299920091,1.9708954391763847,1.7634924875192917,1.589949583066195,1.4437552857798788,1.3195711623363098,1.2127472170292903,1.1195072500515506,4.13,3.556999053198045,3.1336602794483133,2.807458299920091,2.5508954391763847,2.343492487519292,2.169949583066195,2.023755285779879,1.8995711623363098,1.7927472170292904,1.6995072500515507,2.24,2.8130009468019552,3.236339720551687,3.562541700079909,3.8191045608236154,4.026507512480708,4.200050416933805,4.346244714220121,4.47042883766369,4.577252782970709,4.670492749948449,second
+280,5.23,90,9.812898569913557e+16,1.52,0.41871033485818504,53.8,Linear,None,0,1.590322480256693,0.9112832385980817,6.48,0.362080888879178,0.2563663040548067,0.2093388789820186,0.18121973046612647,0.1621842457267466,0.14804863062164106,0.13700312344409293,0.1282034103652115,0.12093344137209561,0.1147050968637031,1.6,1.6,1.6,1.6,1.6,1.6,1.6,1.6,1.6,1.6,1.6,3.17,5.209306370373605,5.244544565315063,5.2602203736726585,5.269593423177956,5.275938584757749,5.280650456459451,5.284332292185301,5.287265529878261,5.289688852875966,5.291764967712098,third
+275,13.43,96,4.856897578435659e+17,0.78,-0.2484613592984996,136.4,Linear,Enzyme,1,0.2825285867959538,0.18117335230402673,5.53,1.3835680550518046,1.365722122251536,1.3655188973734849,1.3669066890131245,1.3654259738568035,1.364334151044125,1.3641596410213328,1.3652584107315344,1.366787736534034,1.3661347144094393,4.92,4.92,4.92,4.92,4.92,4.92,4.92,4.92,4.92,4.92,4.92,2.58,3.9621439816493984,3.968092625916154,3.9681603675421706,3.9676977703289573,3.968191342047731,3.9685552829852906,3.968613452992888,3.9682471964228205,3.967737421155321,3.967955095196852,third
+272,7.69,100,2.1878411539759638e+17,1.91,0.6471032420585384,75.7,Linear,None,1,0.01365873347513609,0.010049484161481353,2.47,2.3514498985759613,2.245345772776001,2.1498734182925183,2.0636015167894715,1.9854768081156626,1.9145413662701023,1.8499275906837471,1.7908582062195004,1.736646263172211,1.6866951372686754,2.9,2.9,2.9,2.9,2.9,2.9,2.9,2.9,2.9,2.9,2.9,0.49,0.5492750507120194,0.6023271136119998,0.6500632908537409,0.6931992416052644,0.7322615959421688,0.7677293168649489,0.8000362046581265,0.8295708968902499,0.8566768684138946,0.8816524313656624,second
+276,11.7,93,4.200620589114213e+17,2.67,0.9820784724121582,192.1,Ring,Base,1,1.0516595160399855,0.6538329202133718,9.39,7.109495379301177,7.107331259812812,7.107301310639881,7.107224659214491,7.107449722651783,7.107472505344732,7.107763610144781,7.108075576651338,7.108406182183503,7.108126829809179,2.81,0.5294953793011753,0.5273312598128106,0.5273013106398786,0.5272246592144888,0.5274497226517812,0.5274725053447301,0.5277636101447791,0.5280755766513368,0.5284061821835022,0.5281268298091787,3.75,6.030504620698824,6.032668740187189,6.032698689360121,6.03277534078551,6.032550277348219,6.03252749465527,6.03223638985522,6.031924423348664,6.031593817816498,6.031873170190822,second
+273,5.48,94,4.18558121053538e+17,4.35,1.4701758451005926,165.6,Linear,Base,0,0.43206838031073974,0.21761860036435102,1.23,0.6685061625921463,0.45760939077697155,0.34800062500209694,0.28057347949613454,0.2352574661403029,0.20244770418494928,0.17756270153913165,0.15831885921567065,0.1428067230630302,0.12997513068931202,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.81,2.090746918703927,2.196195304611514,2.2509996874989517,2.284713260251933,2.3073712669298487,2.3237761479075254,2.336218649230434,2.3458405703921645,2.353596638468485,2.360012434655344,second
+278,6.45,94,3.936996708587536e+16,4.85,1.5789787049493917,91.4,Unknown,None,0,0.08559622836734454,0.051796619118558526,2.83,2.7615230173061245,2.693046034612249,2.6245690519183733,2.5560920692244977,2.487615086530622,2.419138103836746,2.3506611211428705,2.2821841384489954,2.2137071557551193,2.145230173061244,1.86,1.86,1.86,1.86,1.86,1.86,1.86,1.86,1.86,1.86,1.86,4.3,4.368476982693876,4.436953965387751,4.505430948081627,4.573907930775502,4.642384913469378,4.710861896163253,4.779338878857129,4.8478158615510045,4.9162928442448806,4.984769826938756,zero
+272,2.51,93,1.7267001676766045e+17,4.11,1.4134230285081433,37.2,Linear,None,0,0.23819571774217063,0.14050057987481812,5.21,0.9229077998091599,0.6579221088407217,0.5382406717919589,0.4668205776637051,0.41774761380208864,0.38180320664998174,0.3534023409295686,0.3306096614467381,0.31188471023532016,0.2959862876229197,2.21,2.21,2.21,2.21,2.21,2.21,2.21,2.21,2.21,2.21,2.21,3.3,4.729030733396947,4.817359297053092,4.85725310940268,4.881059807445431,4.89741746206597,4.909398931116672,4.91886588635681,4.926463446184421,4.932705096588227,4.93800457079236,third
+280,5.7,96,2.702931612007175e+16,2.42,0.883767540168595,98.5,Ring,None,1,0.03327888791541516,0.024893272735921977,1.67,1.6005834090968922,1.543220603380581,1.4954762237829278,1.4552248508462293,1.4214473389922415,1.393324675137602,1.3699990236714148,1.3505737264552486,1.3341133028231378,1.319652902730176,2.92,2.92,2.92,2.92,2.92,2.92,2.92,2.92,2.92,2.92,2.92,1.81,1.844708295451554,1.8733896983097094,1.8972618881085361,1.9173875745768854,1.9342763305038793,1.948337662431199,1.9600004881642925,1.9697131367723757,1.9779433485884312,1.985173548634912,second
+276,12.2,91,4.319786355390287e+17,1.32,0.27763173659827955,91.0,Branched,None,0,2.5855296497074858,1.5769584573863862,6.4,4.33157628023401,2.263152560468023,0.19472884070203378,-1.8736948790639558,-3.942118598829945,-6.010542318595935,-8.078966038361925,-10.147389758127915,-12.215813477893906,-14.284237197659895,2.57,2.57,2.57,2.57,2.57,2.57,2.57,2.57,2.57,2.57,2.57,2.61,4.6784237197659895,6.746847439531977,8.815271159297966,10.883694879063956,12.952118598829944,15.020542318595934,17.088966038361924,19.157389758127913,21.225813477893908,23.294237197659896,zero
+272,12.38,100,3.534619262759516e+17,4.49,1.501852701754163,135.4,Ring,Acid,1,0.022066694539673446,0.01335387807791579,5.2,4.427664219680269,3.8702826530081653,3.450030335458776,3.127296838709812,2.8728303322618807,2.6644382514123994,2.4933187092929066,2.352250427487103,2.234677804906031,2.134932283013356,2.13,2.13,2.13,2.13,2.13,2.13,2.13,2.13,2.13,2.13,2.13,1.67,2.0561678901598652,2.3348586734959174,2.5449848322706123,2.7063515806450944,2.83358483386906,2.9377808742938005,3.0233406453535467,3.093874786256449,3.152661097546985,3.2025338584933225,second
+270,2.06,100,2.09345779476627e+17,0.92,-0.08338160893905101,134.1,Branched,Enzyme,0,0.009418950555788045,0.006913149107356993,9.81,9.736357877075326,9.663268573965128,9.59072794073408,9.518731858199242,9.447276238677967,9.376357025613569,9.305970192367386,9.236111742214195,9.16677770834221,9.097964153853088,2.91,2.91,2.91,2.91,2.91,2.91,2.91,2.91,2.91,2.91,2.91,3.16,3.233642122924676,3.3067314260348737,3.379272059265922,3.4512681418007607,3.5227237613220357,3.5936429743864324,3.664029807632615,3.7338882577858064,3.8032222916577916,3.872035846146914,first
+276,2.8,99,2.0846563872866198e+17,0.83,-0.18632957819149348,179.1,Branched,Acid,0,0.038196143418935825,0.03378142423077494,8.7,5.693368737794289,4.230123275115103,3.363566377842182,2.79056709498721,2.387351422728103,2.0825908432202507,1.8484544633596363,1.6627516107794587,1.5095157775543606,1.3820239130515437,0.48,0.48,0.48,0.48,0.48,0.48,0.48,0.48,0.48,0.48,0.48,3.67,5.173315631102854,5.904938362442448,6.338216811078908,6.624716452506394,6.826324288635948,6.978704578389874,7.095772768320181,7.18862419461027,7.265242111222818,7.328988043474227,second
+280,1.83,92,3.321285852720226e+17,4.87,1.5830939370944985,196.0,Ring,Enzyme,0,2.2796915888201768,1.7472083541589447,9.06,0.30288254018404753,0.21413057464419394,0.17493527210803503,0.15139902561632249,0.13551613865032158,0.12362105865870619,0.11447308843316326,0.10714437779270626,0.10099537083432081,0.09579101834353031,4.84,4.84,4.84,4.84,4.84,4.84,4.84,4.84,4.84,4.84,4.84,2.61,5.529039153271983,5.558623141785267,5.571688242630653,5.579533658127891,5.584827953783225,5.588792980447097,5.591842303855611,5.59428520740243,5.596334876388558,5.598069660552155,third
+278,8.34,96,1.2854694918745114e+17,2.41,0.8796267475025636,81.7,Linear,Enzyme,0,0.11763837089286228,0.09855010289831498,9.42,4.074030180237767,3.7462697062222583,3.6693635849807107,3.648347008798598,3.6423963844037663,3.6406899650449316,3.640198685881534,3.640057497261029,3.640016874011306,3.6400048987166342,2.89,0.2170150901188839,0.053134853111129296,0.014681792490355405,0.004173504399299133,0.0011981922018830782,0.00034498252246591013,9.93429407669639e-05,2.874863051447026e-05,8.43700565325076e-06,2.449358317181393e-06,1.15,3.822984909881116,3.9868651468888707,4.0253182075096445,4.0358264956007,4.038801807798117,4.039655017477534,4.039900657059233,4.039971251369486,4.039991562994347,4.039997550641683,third
+276,13.81,90,3.63305150592055e+16,4.12,1.415853163361435,75.1,Ring,Base,0,0.33621848464022047,0.2711968099829295,9.67,7.191206730030017,6.9103992028859,6.8679298289606665,6.861254512436887,6.860198979733294,6.860031344936381,6.86000508657197,6.8600008195360385,6.859999988514977,6.860000183681564,2.81,0.3312067300300163,0.05039920288589908,0.007929828960665554,0.0012545124368874322,0.0001989797332938584,3.13449363806114e-05,5.086571969787402e-06,8.195360379911278e-07,-1.1485023777733798e-08,1.83681563052058e-07,3.35,5.828793269969983,6.1096007971141,6.152070171039334,6.158745487563113,6.159801020266706,6.1599686550636195,6.15999491342803,6.159999180463962,6.160000011485024,6.159999816318437,second
+275,10.12,100,3.986372606974456e+16,3.33,1.2029723039923526,199.7,Unknown,Base,0,0.004031598908261015,0.0032843269754485992,8.75,7.184549033132866,6.249492094060599,5.602158108534801,5.124609509029127,4.749761129845185,4.449036065321085,4.201252703511137,3.9900670477377105,3.807470241596607,3.64816082574485,4.29,3.507274516566433,3.0397460470302997,2.7160790542674005,2.4773047545145634,2.2898805649225924,2.1395180326605425,2.0156263517555684,1.9100335238688553,1.8187351207983036,1.739080412872425,2.94,3.7227254834335666,4.1902539529697,4.513920945732599,4.752695245485436,4.940119435077406,5.090481967339456,5.214373648244431,5.319966476131143,5.4112648792016955,5.490919587127574,third
+270,3.21,93,4.2165955550082157e+17,3.15,1.1474024528375417,157.9,Branched,Enzyme,1,0.42892422227956445,0.2595983675431289,7.64,5.646436497334665,4.497455780619033,3.834512118292986,3.4538171061032656,3.2326246245313985,3.1067611664744543,3.0328602558291657,2.9909056588650382,2.9670360080911076,2.952771111175,4.2,4.2,4.2,4.2,4.2,4.2,4.2,4.2,4.2,4.2,4.2,0.14,2.133563502665335,3.282544219380967,3.9454878817070136,4.326182893896734,4.547375375468601,4.673238833525546,4.747139744170834,4.789094341134962,4.812963991908893,4.827228888825,first
+273,12.91,98,4.6823340722365536e+17,2.92,1.0715836162801904,148.7,Unknown,None,0,0.08296382289275894,0.07289868380413468,9.98,6.636648194710983,6.545518306256265,6.540322720670156,6.54001895603484,6.540001276688891,6.539999924288014,6.540000733205268,6.540000679363519,6.539999156597096,6.540000471090148,1.72,0.048324097355492,0.002759153128132681,0.00016136033507823945,9.478017420102585e-06,6.383444454628656e-07,-3.785599242930485e-08,3.6660263427400196e-07,3.3968175994896363e-07,-4.2170145180805397e-07,2.355450742101703e-07,0.7,2.3716759026445087,2.417240846871868,2.4198386396649223,2.4199905219825806,2.419999361655555,2.4200000378559934,2.4199996333973663,2.4199996603182408,2.4200004217014524,2.4199997644549263,third
+277,8.99,99,2.8429032378347008e+17,0.93,-0.07257069283483537,180.3,Linear,Acid,0,0.06086810289358679,0.04976594980941862,1.54,1.4668069953509888,1.3970927194291891,1.3306916769991548,1.267445180075957,1.2072046063084352,1.149828151526346,1.0951798675307287,1.0431296620939046,0.9935532989594767,0.9463323978423315,4.7,4.7,4.7,4.7,4.7,4.7,4.7,4.7,4.7,4.7,4.7,3.1,3.1,3.1,3.1,3.1,3.1,3.1,3.1,3.1,3.1,3.1,first
+271,9.6,100,3.3686723637941734e+17,0.52,-0.6539264674066639,124.2,Unknown,Enzyme,0,0.01786437039140426,0.01081142762944566,4.88,4.810753494664953,4.742489587434459,4.67519432845798,4.60885397259523,4.543454982073559,4.478984003142428,4.415427865810653,4.352773583846398,4.291008354777178,4.230119559889862,4.73,4.73,4.73,4.73,4.73,4.73,4.73,4.73,4.73,4.73,4.73,0.46,0.5292465053350472,0.5975104125655405,0.6648056715420202,0.7311460274047701,0.7965450179264415,0.8610159968575719,0.9245721341893473,0.9872264161536028,1.0489916452228223,1.1098804401101383,first
+280,2.02,92,4.4171177684076915e+17,4.23,1.4422019930581866,190.5,Branched,Enzyme,1,3.0318577412479644,2.6595540102382635,7.82,4.623427640659686,4.6223430559412915,4.623830322814138,4.623100639322808,4.622069883525644,4.623176201562282,4.623180077427797,4.622508359735841,4.62404486927889,4.6230541576658215,4.06,0.8634276406596849,0.8623430559412913,0.8638303228141375,0.8631006393228068,0.8620698835256423,0.8631762015622804,0.8631800774277961,0.8625083597358387,0.8640448692788881,0.8630541576658197,1.35,4.546572359340314,4.5476569440587085,4.546169677185862,4.546899360677192,4.5479301164743555,4.546823798437718,4.546819922572203,4.547491640264159,4.54595513072111,4.546945842334178,second
+275,12.98,100,4.543565447500067e+17,3.78,1.3297240096314962,119.3,Linear,Enzyme,1,0.04595113227926894,0.024619634806740176,5.82,3.6533910850608162,3.065921023625122,2.795921378146876,2.6494563637128765,2.5641007534030154,2.5111517979692213,2.4781039629328254,2.4572777180678926,2.443486658160327,2.4345957936473366,2.23,1.1466955425304082,0.8529605118125612,0.7179606890734378,0.6447281818564383,0.6020503767015077,0.5755758989846105,0.5590519814664126,0.5486388590339464,0.5417433290801635,0.5372978968236681,4.07,5.153304457469592,5.447039488187439,5.582039310926563,5.655271818143563,5.697949623298493,5.724424101015391,5.740948018533588,5.751361140966055,5.758256670919838,5.762702103176333,third
+278,4.46,94,4.6450990319824346e+17,4.32,1.463255402256019,126.2,Linear,None,1,1.0099143762635918,0.5195167266062591,6.45,1.2828279739355706,1.2822251942873188,1.2841834259224383,1.2826555947332712,1.2817685550684839,1.2834858412317178,1.2837002436833447,1.2819056384490841,1.2825525993328253,1.2836960858558302,1.43,1.43,1.43,1.43,1.43,1.43,1.43,1.43,1.43,1.43,1.43,2.38,4.102390675354811,4.102591601904229,4.101938858025856,4.102448135088912,4.102743814977175,4.102171386256097,4.102099918772222,4.102698120516975,4.102482466889062,4.102101304714727,third
+275,1.2,96,4.277858823322973e+17,0.51,-0.6733445532637656,173.9,Branched,Acid,1,0.24884556207901762,0.21730445268747406,4.14,4.009141098376719,3.919210140345457,3.8571143852132903,3.8135386356315,3.7844295047901624,3.7654317203156573,3.751583526758121,3.741663192378526,3.7349828996699803,3.730428071253616,3.01,3.01,3.01,3.01,3.01,3.01,3.01,3.01,3.01,3.01,3.01,3.84,3.970858901623281,4.060789859654543,4.12288561478671,4.1664613643685,4.195570495209838,4.214568279684342,4.228416473241879,4.238336807621473,4.245017100330019,4.249571928746383,first
+278,1.96,97,5.377547244544664e+16,3.4,1.2237754316221157,161.1,Linear,Base,0,0.03192789506982133,0.016960794454260464,5.34,3.4172169386432176,2.7081578685607575,2.3143480159857353,2.0526135585718737,1.8650060199835203,1.7196986195393655,1.6042869956420889,1.5101480189002632,1.4305837181061651,1.3621212825248998,2.66,1.698608469321609,1.344078934280379,1.1471740079928678,1.016306779285937,0.9225030099917604,0.849849309769683,0.7921434978210447,0.7450740094501318,0.7052918590530828,0.6710606412624501,1.39,2.3513915306783915,2.7059210657196218,2.9028259920071324,3.0336932207140634,3.12749699000824,3.2001506902303176,3.257856502178956,3.3049259905498687,3.344708140946918,3.3789393587375507,third
+274,3.31,94,3.850832500888974e+17,1.54,0.43178241642553783,149.2,Linear,None,1,0.46237507889954116,0.36954130324040313,3.74,1.607335109003871,1.606822604037635,1.6072810624595801,1.6073239797427306,1.605454178022361,1.6080139808688243,1.606674528879316,1.6062420416436738,1.608821814581851,1.607223177115048,4.2,4.2,4.2,4.2,4.2,4.2,4.2,4.2,4.2,4.2,4.2,4.48,5.190888296998711,5.191059131987456,5.190906312513474,5.190892006752424,5.191515273992547,5.1906620063770585,5.191108490373561,5.191252652785441,5.190392728472716,5.1909256076283175,third
+279,9.28,91,1.5581944989723606e+17,3.18,1.1568811967920856,104.2,Branched,Enzyme,1,1.428570017605332,1.1007100461183235,3.11,2.212686743702482,2.094230880613841,2.0782634959073336,2.0763306005733058,2.0761194038637965,2.074792099685055,2.077112986418527,2.074846018637954,2.0770966701121267,2.0761015814947026,2.7,2.7,2.7,2.7,2.7,2.7,2.7,2.7,2.7,2.7,2.7,1.66,2.5573132562975176,2.6757691193861586,2.691736504092666,2.693669399426694,2.693880596136203,2.6952079003149447,2.6928870135814726,2.6951539813620458,2.692903329887873,2.693898418505297,first
+274,8.84,98,3.883193749502471e+17,1.31,0.2700271372130602,20.9,Branched,Acid,0,0.08054745438379256,0.04747715215237517,1.51,1.4157673220314322,1.3274153651999874,1.2445757850587778,1.1668997511373047,1.0940714942262368,1.0257928232637064,0.9617806246362455,0.9017668621787873,0.8454985771746659,0.7927378883556161,2.44,2.44,2.44,2.44,2.44,2.44,2.44,2.44,2.44,2.44,2.44,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,first
+275,9.75,93,7.5508334909221e+16,3.28,1.1878434223960523,140.4,Linear,None,0,0.16313658336575507,0.09612320560933846,2.21,1.9449832248738497,1.761726064708556,1.628529088354353,1.5290188717638529,1.4516051241212344,1.3903599764706782,1.3415198106013007,1.3018998985924621,1.269190881088429,1.242114814786198,1.12,0.8549832248738498,0.6717260647085562,0.5385290883543531,0.43901887176385296,0.36160512412123447,0.30035997647067825,0.2515198106013007,0.2118998985924621,0.17919088108842887,0.15211481478619798,0.78,1.0450167751261503,1.2282739352914442,1.3614709116456472,1.4609811282361473,1.5383948758787658,1.599640023529322,1.6484801893986996,1.688100101407538,1.7208091189115713,1.7478851852138022,second
+274,1.56,100,2.7670830802614013e+17,1.72,0.5423242908253617,112.0,Unknown,Base,0,0.02385593502900005,0.017164819510887216,6.47,6.4509152519768,6.4318305039535995,6.412745755930399,6.393661007907199,6.374576259883999,6.355491511860799,6.336406763837599,6.317322015814399,6.298237267791198,6.279152519767998,3.79,3.79,3.79,3.79,3.79,3.79,3.79,3.79,3.79,3.79,3.79,3.71,3.7290847480231997,3.7481694960464,3.7672542440696,3.7863389920928,3.805423740116,3.8245084881392,3.8435932361624,3.8626779841856003,3.8817627322088,3.900847480232,zero
+280,4.22,97,3.412307689213216e+17,0.53,-0.6348782724359695,138.4,Branched,Enzyme,1,0.27341535993870325,0.1756857843271382,4.44,3.637700943869045,3.414042495576851,3.344310964794278,3.3217400288434438,3.313899347490396,3.311581012567782,3.310645342490804,3.310549950710799,3.310316719240083,3.3103596855802206,2.24,1.4377009438690451,1.2140424955768514,1.1443109647942784,1.1217400288434443,1.1138993474903967,1.1115810125677823,1.1106453424908047,1.1105499507107994,1.1103167192400833,1.1103596855802211,4.59,5.392299056130955,5.615957504423149,5.685689035205722,5.708259971156557,5.7161006525096045,5.718418987432219,5.7193546575091965,5.719450049289201,5.719683280759917,5.71964031441978,second
+278,1.61,99,4.159397804050372e+17,2.0,0.6931471805599453,108.8,Ring,Base,0,0.10394752702838814,0.08366966311247467,1.24,1.027937624321995,0.8780390293848259,0.7657563077632518,0.679564357908486,0.6116198985659352,0.5554175855906798,0.5083798151921333,0.46880778364857856,0.4350532635689338,0.4057867131583921,0.07,0.07,0.07,0.07,0.07,0.07,0.07,0.07,0.07,0.07,0.07,2.94,3.0460311878390023,3.120980485307587,3.177121846118374,3.220217821045757,3.2541900507170327,3.2822912072046604,3.3058100924039335,3.3255961081757106,3.342473368215533,3.357106643420804,second
+280,12.92,95,2.5135444708214848e+17,2.85,1.0473189942805592,46.3,Branched,Acid,0,0.4755315587337197,0.42569374558575007,9.87,6.746410399364459,4.611649307370599,3.1489765997707755,2.156240951177394,1.4742348389394744,1.007499204664233,0.689904038782632,0.47114619232177346,0.32241262608352067,0.22058884641803872,0.09,0.09,0.09,0.09,0.09,0.09,0.09,0.09,0.09,0.09,0.09,1.11,1.11,1.11,1.11,1.11,1.11,1.11,1.11,1.11,1.11,1.11,first
+270,6.03,96,4.9613587944475226e+17,4.95,1.599387576580599,173.7,Linear,None,1,0.13262133963164066,0.0738209407058063,4.41,2.9991246797259627,2.7672898427436823,2.701804419521368,2.6810635295200496,2.6743243593609174,2.672284339463586,2.6713801426750963,2.6713037416717773,2.6711347622174846,2.67111598958909,1.13,0.42456233986298153,0.30864492137184124,0.27590220976068414,0.2655317647600249,0.2621621796804588,0.2611421697317931,0.2606900713375483,0.26065187083588864,0.26056738110874234,0.2605579947945451,2.47,3.1754376601370193,3.2913550786281593,3.3240977902393163,3.3344682352399757,3.3378378203195416,3.3388578302682075,3.339309928662452,3.3393481291641116,3.339432618891258,3.3394420052054556,third
+279,11.33,100,3.2766655008479e+17,3.8,1.33500106673234,91.7,Linear,Enzyme,1,0.0620387057011509,0.050759845400100014,4.42,3.382827833502264,3.083062943096927,2.966065124727113,2.915712203810698,2.892380729792167,2.8822475078726257,2.877040765772473,2.875143026642553,2.8739733683280524,2.87342991570489,1.33,0.8114139167511322,0.6615314715484637,0.6030325623635566,0.5778561019053493,0.5661903648960837,0.561123753936313,0.5585203828862368,0.5575715133212769,0.5569866841640264,0.5567149578524453,4.84,5.358586083248868,5.5084685284515365,5.5669674376364435,5.592143898094651,5.603809635103917,5.608876246063687,5.611479617113764,5.6124284866787235,5.613013315835974,5.613285042147555,third
+273,6.24,99,2.4149227543046435e+17,3.22,1.169381359556317,133.9,Unknown,None,0,0.027541463551785203,0.014587400645521817,6.46,6.437966829158572,6.415933658317144,6.393900487475715,6.371867316634287,6.349834145792859,6.327800974951431,6.305767804110003,6.283734633268574,6.261701462427146,6.239668291585718,0.94,0.94,0.94,0.94,0.94,0.94,0.94,0.94,0.94,0.94,0.94,1.81,1.8320331708414281,1.8540663416828564,1.8760995125242845,1.8981326833657126,1.920165854207141,1.942199025048569,1.964232195889997,1.9862653667314254,2.0082985375728537,2.030331708414282,zero
+274,7.22,100,3.486505721307839e+17,3.2,1.1631508098056809,198.5,Branched,Acid,1,0.030058314677671144,0.022814827777809535,7.86,7.691019005463931,7.529036605736915,7.373761108454032,7.224915123582671,7.082234878084093,6.945465998947612,6.814363508668231,6.688691825246636,6.568224762189202,6.4527455285079895,2.89,2.89,2.89,2.89,2.89,2.89,2.89,2.89,2.89,2.89,2.89,0.9,1.0689809945360689,1.2309633942630844,1.3862388915459676,1.535084876417329,1.6777651219159073,1.8145340010523876,1.9456364913317692,2.071308174753364,2.191775237810798,2.3072544714920102,first
+280,7.66,95,7.569254733294922e+16,1.81,0.5933268452777344,67.2,Unknown,None,0,0.14320094764824057,0.10971704355965736,9.4,6.063450296623693,6.040357610955775,6.04000558049356,6.0400005314161005,6.040000251582359,6.0399994618502255,6.0399988555171475,6.040001168567563,6.040002355087828,6.040000909371341,1.68,0.011725148311846857,0.00017880547788832817,2.790246780420075e-06,2.657080507456479e-07,1.257911804138277e-07,-2.690748865090658e-07,-5.722414252868638e-07,5.842837821767531e-07,1.177543914796574e-06,4.5468567143725024e-07,1.09,2.7582748516881535,2.7698211945221125,2.76999720975322,2.76999973429195,2.7699998742088203,2.7700002690748873,2.7700005722414263,2.7699994157162187,2.769998822456086,2.7699995453143296,third
+279,7.83,90,1.5377833637766714e+17,3.86,1.3506671834767394,177.6,Linear,None,0,2.169715124333347,1.1621587385577021,7.98,6.244227900533323,4.508455801066646,2.7726837015999672,1.0369116021332898,-0.6988604973333876,-2.4346325968000695,-4.170404696266745,-5.906176795733424,-7.641948895200105,-9.377720994666785,4.39,4.39,4.39,4.39,4.39,4.39,4.39,4.39,4.39,4.39,4.39,1.23,2.965772099466678,4.701544198933354,6.437316298400033,8.17308839786671,9.908860497333388,11.644632596800069,13.380404696266744,15.116176795733423,16.851948895200106,18.587720994666785,zero
+272,6.73,96,3.039768978738106e+17,1.5,0.4054651081081644,177.5,Unknown,Enzyme,1,0.11128059428033296,0.07201551941667311,1.55,1.5170371379821648,1.4885710309282698,1.4639881097897343,1.4427102219327497,1.4243079525795115,1.4084456386038546,1.3948019793955932,1.3830700368605222,1.3729572354204158,1.3641853620130286,3.81,3.81,3.81,3.81,3.81,3.81,3.81,3.81,3.81,3.81,3.81,1.78,1.8129628620178353,1.8414289690717303,1.8660118902102658,1.8872897780672504,1.9056920474204886,1.9215543613961454,1.9351980206044068,1.9469299631394779,1.9570427645795843,1.9658146379869714,first
+270,12.8,93,4.907066825703317e+17,2.85,1.0473189942805592,89.5,Linear,Enzyme,0,0.4991609449923981,0.36255905278350287,7.25,0.6449973376997764,0.4566914265383657,0.3732652049304503,0.3234087215824346,0.2892893481218315,0.26402979854229547,0.2446324684017538,0.22883544473037015,0.21570468147908484,0.20460282944859615,2.77,2.77,2.77,2.77,2.77,2.77,2.77,2.77,2.77,2.77,2.77,2.49,4.691667554100075,4.754436191153879,4.782244931689851,4.798863759472523,4.810236883959391,4.818656733819235,4.82512251053275,4.830388185089878,4.83476510617364,4.838465723517136,third
+277,12.32,93,4.016271388364566e+16,4.67,1.541159071680806,31.7,Ring,Enzyme,1,0.11639326451937974,0.06709497518205262,5.01,2.908301873566542,2.5298293506010276,2.388323428941832,2.3253973765876306,2.2951384450458034,2.28038323288531,2.2729792800489497,2.2692878517830652,2.267352414602189,2.26649215555438,1.55,0.49915093678327077,0.3099146753005135,0.2391617144709155,0.20769868829381474,0.19256922252290135,0.1851916164426546,0.1814896400244744,0.1796439258915322,0.178676207301094,0.17824607777718957,0.21,1.2608490632167293,1.4500853246994865,1.5208382855290843,1.552301311706185,1.5674307774770986,1.5748083835573452,1.5785103599755255,1.5803560741084677,1.5813237926989059,1.5817539222228103,third
+276,13.26,96,4.330647567747187e+17,4.38,1.4770487243883548,142.7,Branched,Base,1,0.29330955351720683,0.16081475940780418,4.39,4.1801456114751865,4.17821904560854,4.178198521202576,4.178089963316543,4.178260034670622,4.1782682231250785,4.178015885143104,4.178387153950115,4.178098372372743,4.178218233488344,0.2,0.09507280573759337,0.09410952280426974,0.09409926060128797,0.09404498165827145,0.09413001733531065,0.09413411156253917,0.09400794257155205,0.09419357697505716,0.09404918618637106,0.09410911674417208,2.89,2.9949271942624067,2.9958904771957298,2.995900739398712,2.9959550183417285,2.995869982664689,2.9958658884374607,2.995992057428448,2.9958064230249426,2.9959508138136286,2.9958908832558278,third
+270,3.52,94,2.965552654422271e+17,3.1,1.1314021114911006,110.3,Ring,Base,1,0.19322158861542502,0.1230363627564706,1.42,1.3124711403296563,1.25665726861665,1.225030280217275,1.2079545187726641,1.1982289533450488,1.1927711099779126,1.1901366838153071,1.188357809314412,1.1873764903362436,1.1868791984443454,2.19,2.0824711403296563,2.02665726861665,1.995030280217275,1.9779545187726641,1.9682289533450488,1.9627711099779126,1.9601366838153071,1.958357809314412,1.9573764903362436,1.9568791984443454,3.41,3.517528859670344,3.57334273138335,3.604969719782725,3.622045481227336,3.6317710466549515,3.637228890022088,3.639863316184693,3.6416421906855883,3.642623509663757,3.643120801555655,second
+276,7.8,97,1.9515374768611715e+17,0.79,-0.23572233352106983,180.9,Branched,Acid,0,0.08548452154561291,0.05277306399298044,5.64,5.267186935271483,4.9190175831680545,4.5938395327011525,4.290126855243388,4.00650226552459,3.7416578324617715,3.494353808852196,3.2634186313733826,3.0477489205831008,2.8463094809193765,2.88,2.88,2.88,2.88,2.88,2.88,2.88,2.88,2.88,2.88,2.88,3.01,3.382813064728517,3.7309824168319445,4.056160467298847,4.359873144756611,4.6434977344754085,4.908342167538228,5.155646191147802,5.386581368626617,5.602251079416899,5.8036905190806225,first
+272,7.93,95,3.0734722116140314e+17,1.26,0.23111172096338664,25.6,Unknown,Base,1,0.17508712119813338,0.13681275196373624,7.62,6.522123214626474,6.188864815441059,6.075855188626556,6.036050507903284,6.021812987048746,6.016510915658469,6.014804886672327,6.014008369259373,6.013913985445716,6.013762481334419,2.11,1.012123214626473,0.6788648154410593,0.5658551886265554,0.5260505079032839,0.5118129870487448,0.5065109156584687,0.5048048866723266,0.504008369259372,0.5039139854457146,0.5037624813344181,2.27,3.367876785373527,3.7011351845589404,3.8141448113734446,3.853949492096716,3.868187012951255,3.8734890843415313,3.875195113327673,3.8759916307406277,3.8760860145542853,3.8762375186655817,second
+279,6.51,95,1.1182459621633877e+17,3.85,1.3480731482996928,113.9,Linear,Acid,1,0.18277063795269155,0.0956763675758005,1.41,1.12835097518113,0.9976506244958819,0.928591244710795,0.8910388568440653,0.8708862137501803,0.8593254996189666,0.8528677565727593,0.8495096857818686,0.8473640360060658,0.8461689836316632,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,1.08,1.220824512409435,1.286174687752059,1.3207043776446026,1.3394805715779674,1.34955689312491,1.3553372501905168,1.3585661217136205,1.3602451571090657,1.3613179819969672,1.3619155081841685,second
+277,6.28,93,2.374964782965942e+17,4.12,1.415853163361435,128.0,Unknown,None,1,0.6882749632129043,0.6019339631618293,2.06,0.6966696235910133,0.6106032949711513,0.6033784352827181,0.6027593524920811,0.6027299658813037,0.6030072988023888,0.6024349847083336,0.6027744307350696,0.6033955852240406,0.6028888558163802,4.5,3.136669623591013,3.0506032949711512,3.043378435282718,3.042759352492081,3.0427299658813034,3.043007298802389,3.0424349847083336,3.04277443073507,3.0433955852240406,3.0428888558163805,0.64,2.003330376408987,2.089396705028849,2.096621564717282,2.097240647507919,2.0972700341186967,2.0969927011976113,2.0975650152916665,2.09722556926493,2.0966044147759595,2.0971111441836197,second
+274,4.75,93,3.154421453853255e+17,0.96,-0.040821994520255166,26.0,Branched,Base,0,0.587494445900066,0.4337682670695193,7.83,7.360004443279948,6.890008886559895,6.420013329839842,5.9500177731197885,5.480022216399736,5.010026659679683,4.540031102959629,4.070035546239577,3.6000399895195234,3.13004443279947,4.72,4.72,4.72,4.72,4.72,4.72,4.72,4.72,4.72,4.72,4.72,2.14,2.6099955567200532,3.079991113440106,3.549986670160159,4.019982226880212,4.489977783600264,4.9599733403203174,5.4299688970403714,5.899964453760424,6.369960010480478,6.839955567200531,zero
+274,4.79,93,3.5597636721924525e+17,0.74,-0.3011050927839216,70.5,Unknown,Enzyme,1,0.6629873074110723,0.5046552252702554,3.8,1.4886557573257304,1.489556698648221,1.4876003141639846,1.4877139284886503,1.4898667237380012,1.488540795810104,1.487234770452686,1.4891705311400834,1.489542049344535,1.4887287207318038,1.66,1.66,1.66,1.66,1.66,1.66,1.66,1.66,1.66,1.66,1.66,3.56,4.330448080891425,4.3301477671172615,4.330799895278674,4.330762023837119,4.330044425420669,4.330486401396635,4.330921743182441,4.330276489619975,4.3301526502184915,4.330423759756069,third
+280,3.27,97,2.0110073721924816e+17,4.41,1.4838746894587547,180.3,Unknown,Base,0,0.1611344446591131,0.12640771345637877,2.83,1.0567742037719645,0.774503606701084,0.6407373224797416,0.5584355942341089,0.5015487442232284,0.45880294826769175,0.425782463518091,0.39896531358580445,0.3764639546925062,0.35738631198506404,3.11,3.11,3.11,3.11,3.11,3.11,3.11,3.11,3.11,3.11,3.11,0.74,1.3310752654093454,1.4251654644329723,1.4697542258400864,1.4971881352552971,1.5161504185922574,1.530399017244103,1.5414058454939699,1.5503448954713988,1.5578453484358314,1.5642045626716454,third
+275,10.88,95,2.492680616722425e+17,3.15,1.1474024528375417,75.7,Ring,Base,0,0.22455415440604196,0.15506965315857651,9.4,7.854340021434953,6.562289522495753,5.481889606697986,4.580425958680099,3.8285797705986244,3.200060941663132,2.6736101790186138,2.233841323225002,1.866764919379744,1.5600399730452976,3.73,3.73,3.73,3.73,3.73,3.73,3.73,3.73,3.73,3.73,3.73,1.26,2.8056599785650476,4.097710477504247,5.178110393302014,6.079574041319901,6.831420229401376,7.459939058336868,7.986389820981386,8.426158676774998,8.793235080620256,9.099960026954703,first
+275,8.69,98,2.097949892174552e+17,3.36,1.2119409739751128,62.1,Linear,Base,1,0.05088579356160535,0.026811789649112176,4.18,3.7818458919778095,3.484406153253296,3.255768085104382,3.0781413944367184,2.9388187486380337,2.8266336564430676,2.7348398470691153,2.6601729820435502,2.5991527822009464,2.5488312895641325,3.21,2.81184589197781,2.5144061532532964,2.2857680851043822,2.1081413944367187,1.9688187486380342,1.856633656443068,1.7648398470691156,1.6901729820435505,1.629152782200947,1.5788312895641328,3.87,4.268154108022189,4.565593846746704,4.794231914895618,4.971858605563281,5.111181251361966,5.223366343556933,5.3151601529308845,5.38982701795645,5.450847217799053,5.501168710435867,second
+274,6.96,100,2.5304318551682995e+17,0.58,-0.5447271754416722,151.6,Linear,None,0,0.02181568683745642,0.013619858268263523,3.64,2.6764291947278167,2.1739526156105784,1.8518651991020953,1.6238724024565134,1.4545821737452953,1.3218940035653062,1.2134352658298173,1.1238810366521834,1.0485407921760035,0.9837282843413497,3.12,2.6382145973639086,2.3869763078052895,2.2259325995510477,2.111936201228257,2.027291086872648,1.9609470017826536,1.9067176329149091,1.8619405183260922,1.8242703960880022,1.7918641421706754,1.46,1.9417854026360917,2.1930236921947106,2.3540674004489524,2.468063798771743,2.552708913127352,2.619052998217346,2.6732823670850907,2.7180594816739077,2.755729603911998,2.7881358578293245,third
+274,10.75,98,1.0990920175588466e+17,2.62,0.9631743177730056,90.7,Branched,Acid,0,0.022798003359800006,0.01731400384110065,5.91,5.803188040048286,5.698306502772807,5.595320499689198,5.494195758720625,5.394898637242442,5.297396136654938,5.201655830301139,5.107645860868038,5.015334940386599,4.92469235023175,2.18,2.18,2.18,2.18,2.18,2.18,2.18,2.18,2.18,2.18,2.18,3.01,3.01,3.01,3.01,3.01,3.01,3.01,3.01,3.01,3.01,3.01,first
+276,11.06,100,1.310620954626435e+17,2.57,0.9439058989071284,40.0,Unknown,Acid,0,0.015530998027668035,0.011860301300667474,7.52,6.336014415228163,5.4733338243467875,4.818032903186125,4.3061112785086735,3.890573740015104,3.5468826358621968,3.2601720651788346,3.0174815953239476,2.808095935824084,2.624935100971344,4.12,4.12,4.12,4.12,4.12,4.12,4.12,4.12,4.12,4.12,4.12,0.68,1.2719927923859182,1.7033330878266062,2.0309835484069376,2.2869443607456637,2.4947131299924483,2.666558682068902,2.809913967410583,2.9312592023380266,3.0359520320879585,3.1275324495143284,second
+275,7.32,97,4.924897525916093e+16,2.47,0.9042181506398859,132.0,Ring,Enzyme,0,0.018499059302617447,0.01617510577356497,2.62,2.5815114746626437,2.543588356496529,2.506222339601861,2.469405238460244,2.4331289878035793,2.3973856472058594,2.362167389480793,2.3274664997584864,2.293275375485447,2.2595865264245805,2.99,2.99,2.99,2.99,2.99,2.99,2.99,2.99,2.99,2.99,2.99,4.04,4.04,4.04,4.04,4.04,4.04,4.04,4.04,4.04,4.04,4.04,first
+271,5.11,91,1.5632571640961443e+17,4.71,1.5496879080283263,112.0,Unknown,Base,0,0.45014430900619623,0.315222335959108,4.95,3.4530985619078036,2.408007340710416,1.6807407977977267,1.172004306343171,0.8176971342233782,0.5709923955520816,0.3979630680798834,0.27794619446971364,0.1940334380673022,0.1353625800774746,4.26,4.26,4.26,4.26,4.26,4.26,4.26,4.26,4.26,4.26,4.26,0.23,1.7269014380921972,2.7719926592895847,3.499259202202274,4.007995693656829,4.3623028657766225,4.609007604447919,4.782036931920118,4.902053805530287,4.985966561932699,5.044637419922526,first
+279,1.35,97,2.0447018319384003e+17,1.21,0.1906203596086497,159.9,Linear,None,1,0.14110541733267468,0.07281420363917812,1.79,1.4736595741428975,1.326414943847063,1.2469230095449608,1.2041400659847419,1.1808447005105471,1.1680997845289707,1.1605362697194825,1.156811313718568,1.1545602629681615,1.1531913637593583,3.59,3.59,3.59,3.59,3.59,3.59,3.59,3.59,3.59,3.59,3.59,2.25,2.408170212928551,2.4817925280764683,2.5215384952275195,2.542929967007629,2.5545776497447266,2.560950107735515,2.5647318651402586,2.566594343140716,2.5677198685159195,2.568404318120321,second
+278,3.02,92,3.8898576632043866e+17,1.32,0.27763173659827955,156.8,Unknown,Base,0,2.0092114131877965,1.4886184625111674,5.94,0.13877673408669838,0.07314236454614412,0.04980709625644742,0.03777767044731161,0.03048813501844968,0.02551496241162946,0.021975965322015213,0.019289174182108126,0.01718109558587837,0.015489832129446733,4.94,2.0393883670433492,2.006571182273072,1.9949035481282238,1.9888888352236558,1.9852440675092249,1.9827574812058146,1.9809879826610075,1.9796445870910542,1.9785905477929393,1.9777449160647234,3.65,6.550611632956651,6.583428817726928,6.595096451871776,6.601111164776344,6.604755932490775,6.607242518794185,6.6090120173389915,6.6103554129089455,6.61140945220706,6.612255083935276,third
+280,5.31,92,9.372298526175165e+16,3.81,1.3376291891386096,107.6,Unknown,Enzyme,1,0.6433035596901108,0.35689605016916304,5.81,1.1982275094884511,1.1953844716090745,1.194924673915368,1.1943104383387884,1.1954531390905367,1.1963840453559567,1.1960505496385276,1.1944507911178424,1.1945879136740294,1.1955523910718453,4.33,2.0241137547442256,2.0226922358045374,2.0224623369576844,2.022155219169395,2.0227265695452687,2.023192022677979,2.0230252748192643,2.0222253955589213,2.022293956837015,2.022776195535923,2.9,5.2058862452557735,5.207307764195461,5.207537663042314,5.207844780830603,5.2072734304547295,5.206807977322018,5.206974725180733,5.207774604441076,5.2077060431629825,5.207223804464075,third
+280,8.91,94,2.1652174001666867e+17,4.53,1.5107219394949427,78.6,Linear,Base,1,0.629438499394629,0.5155801031505197,4.71,4.474100518633061,4.387424255026154,4.348332250250407,4.332988764667101,4.326584907061304,4.324954913045756,4.322976736893849,4.323217277703533,4.323348664452087,4.3229592800715,2.27,2.27,2.27,2.27,2.27,2.27,2.27,2.27,2.27,2.27,2.27,4.89,5.125899481366939,5.2125757449738455,5.2516677497495925,5.267011235332899,5.273415092938696,5.275045086954243,5.277023263106151,5.276782722296467,5.276651335547912,5.277040719928499,first
+271,3.5,94,2.2327959116928352e+17,3.77,1.3270750014599193,103.9,Ring,Base,0,0.16978770292946535,0.12004470098268974,4.1,3.579262634744715,3.1244872994781017,2.7273612991916503,2.3809103233356925,2.07873957758396,1.8150254051240013,1.5845678531124756,1.3832991757261492,1.207616711097745,1.054250491768315,2.99,2.99,2.99,2.99,2.99,2.99,2.99,2.99,2.99,2.99,2.99,0.16,0.6807373652552844,1.1355127005218981,1.5326387008083493,1.8790896766643073,2.1812604224160395,2.4449745948759984,2.675432146887524,2.87670082427385,3.052383288902255,3.2057495082316843,first
+276,4.61,98,4.5576200138688666e+17,2.54,0.9321640810304452,85.8,Linear,None,0,0.12911774292744566,0.07075483535625943,5.9,5.019076231494446,4.563483733417056,4.299011472523398,4.1369320573600445,4.035161915108233,3.9690152159431977,3.9259831471629405,3.8973758857651974,3.8784378982071765,3.865792512998853,2.06,1.1790762314944456,0.7234837334170556,0.45901147252339813,0.29693205736004447,0.195161915108233,0.12901521594319718,0.08598314716293981,0.05737588576519706,0.038437898207175955,0.02579251299885258,4.08,4.9609237685055545,5.416516266582945,5.680988527476602,5.843067942639956,5.944838084891767,6.010984784056803,6.05401685283706,6.082624114234803,6.101562101792824,6.114207487001147,second
+279,9.59,90,1.6678574907089802e+17,3.21,1.1662709371419244,44.6,Unknown,Acid,1,2.3532414955618446,1.7490858201561996,8.62,3.078528002558911,3.079315401725031,3.079581199207123,3.079064441084223,3.0781193768957,3.077940537086873,3.0778839100972495,3.078721619932053,3.0793527704907313,3.0794490889050623,3.25,0.479264001279456,0.47965770086251636,0.47979059960356224,0.47953222054211253,0.47905968844785124,0.4789702685434375,0.47894195504862586,0.47936080996602753,0.4796763852453669,0.47972454445253226,3.34,6.110735998720544,6.110342299137484,6.110209400396437,6.1104677794578866,6.110940311552148,6.111029731456561,6.111058044951373,6.1106391900339725,6.110323614754632,6.110275455547465,third
+277,5.88,91,2.3613236199413347e+17,3.43,1.2325602611778486,132.6,Unknown,Base,0,1.6308700067411197,1.163949391752991,9.5,2.5760590093118543,0.699710786495041,0.19012485145160768,0.051582333351627783,0.014023187133653487,0.0038103089214646174,0.0010336621473249889,0.0002808979351348038,7.652044598157397e-05,2.0865779347824697e-05,1.01,1.01,1.01,1.01,1.01,1.01,1.01,1.01,1.01,1.01,1.01,2.19,9.113940990688146,10.99028921350496,11.499875148548393,11.638417666648373,11.675976812866347,11.686189691078537,11.688966337852678,11.689719102064869,11.689923479554022,11.689979134220655,first
+274,4.76,97,3.4545232929965626e+17,1.46,0.37843643572024505,115.0,Ring,None,1,0.11114633396116114,0.0828380841388541,1.62,1.64126438851833,1.6594715545036578,1.6750595670207573,1.6884226839233207,1.6998945080932795,1.7097062526766433,1.7180745681504812,1.7252061153355531,1.7312975653963112,1.736535599840899,4.7,4.7,4.7,4.7,4.7,4.7,4.7,4.7,4.7,4.7,4.7,2.52,2.49873561148167,2.4805284454963425,2.464940432979243,2.4515773160766794,2.440105491906721,2.4302937473233572,2.421925431849519,2.4147938846644474,2.4087024346036894,2.4034644001591015,first
+276,6.23,96,9.510530730267773e+16,4.03,1.3937663759585917,136.8,Ring,Base,1,0.06441368129287961,0.034361076123546955,6.28,6.002408485187999,5.7459079952491035,5.508845868680248,5.289761284354367,5.087346187072053,4.90036125479821,4.727635898662056,4.568068262957121,4.42062522514125,4.284342395836596,0.64,0.64,0.64,0.64,0.64,0.64,0.64,0.64,0.64,0.64,0.64,1.27,1.5475915148120005,1.8040920047508968,2.0411541313197525,2.260238715645633,2.4626538129279476,2.6496387452017904,2.8223641013379446,2.981931737042879,3.129374774858751,3.2656576041634042,first
+275,13.04,94,1.3005423110923086e+17,3.62,1.2864740258376797,194.1,Ring,Enzyme,0,0.18143870988378918,0.14382346162611873,8.66,7.4899555638067055,6.478007384894516,5.6014978372441,4.841843332525547,4.18562857919025,3.6200854498999115,3.133027118507415,2.712848060056816,2.348524050783352,2.031314782299709,0.83,0.83,0.83,0.83,0.83,0.83,0.83,0.83,0.83,0.83,0.83,4.38,4.38,4.38,4.38,4.38,4.38,4.38,4.38,4.38,4.38,4.38,first
+275,12.02,91,2.164536552857619e+16,1.38,0.3220834991691132,73.5,Unknown,Enzyme,0,0.11215623054261346,0.08473468017158498,2.7,2.468292655220691,2.256470342161563,2.0628016422238074,1.885688514654531,1.7237837491062684,1.57582664207574,1.440630501466213,1.3170826465875018,1.204144408155965,1.100851128294509,3.47,3.47,3.47,3.47,3.47,3.47,3.47,3.47,3.47,3.47,3.47,0.72,0.72,0.72,0.72,0.72,0.72,0.72,0.72,0.72,0.72,0.72,first
+274,7.0,90,4.0386173992538426e+17,3.08,1.1249295969854831,127.6,Unknown,Acid,0,2.807046015651852,2.223095169113466,4.1,0.43512013782284187,0.04611830055477969,0.004892715945887605,0.000519952258265705,5.533554958513238e-05,5.773062733698931e-06,5.127253714789821e-07,-8.404178108731163e-08,2.0163221134079498e-07,6.118523092955022e-08,1.9,1.9,1.9,1.9,1.9,1.9,1.9,1.9,1.9,1.9,1.9,2.24,2.24,2.24,2.24,2.24,2.24,2.24,2.24,2.24,2.24,2.24,first
+273,9.78,99,4.879060233061912e+17,2.52,0.9242589015233319,160.2,Branched,Enzyme,0,0.055644206149580065,0.03503108513663528,7.72,4.594809145814233,3.263358507898915,2.528374840833886,2.0671659209554343,1.745286112937037,1.5124908056295738,1.3334923224082733,1.191859324667625,1.0779941406253863,0.983977889632608,0.7,0.7,0.7,0.7,0.7,0.7,0.7,0.7,0.7,0.7,0.7,3.6,5.162595427092883,5.828320746050542,6.195812579583056,6.426417039522282,6.58735694353148,6.703754597185212,6.793253838795862,6.8640703376661865,6.9210029296873055,6.968011055183695,second
+280,1.08,98,1.904577391261022e+17,1.9,0.6418538861723947,140.9,Ring,None,0,0.09931488066969746,0.06765736399266312,3.92,2.4269718451997813,1.7541847041776728,1.3721574458417145,1.1279768121882303,0.9568886657717686,0.8306677641592352,0.7347790379788994,0.6581125108192335,0.5958164914521823,0.5443010726170006,0.77,0.77,0.77,0.77,0.77,0.77,0.77,0.77,0.77,0.77,0.77,4.36,5.106514077400109,5.442907647911164,5.633921277079143,5.7560115939058845,5.8415556671141164,5.9046661179203825,5.9526104810105505,5.990943744590384,6.02209175427391,6.047849463691501,second
+274,6.05,90,2.9121017297802336e+17,3.58,1.275362800412609,61.3,Unknown,None,0,2.0240599070520364,1.1063645711700403,1.02,0.2021244681353753,0.040144098655861056,0.007958702532821835,0.00157801718909134,0.0003137804776900165,6.20395891576346e-05,1.2215065945698764e-05,2.338803064037893e-06,5.651210243712975e-07,1.8638754926385698e-07,3.1,3.1,3.1,3.1,3.1,3.1,3.1,3.1,3.1,3.1,3.1,4.78,5.597875531864625,5.75985590134414,5.792041297467179,5.798421982810909,5.799686219522311,5.799937960410843,5.799987784934055,5.799997661196937,5.799999434878976,5.799999813612452,first
+280,3.22,93,2.1317850678861773e+17,2.3,0.8329091229351039,39.5,Ring,Enzyme,1,0.9522571312273801,0.698007946258549,4.35,1.4581676575948752,1.4598477653567046,1.458249161076945,1.4581634063904312,1.4594881409306166,1.458098499081793,1.459936453302664,1.4577020584388438,1.460531834032591,1.4589225532929622,3.51,3.51,3.51,3.51,3.51,3.51,3.51,3.51,3.51,3.51,3.51,3.27,4.23394411413504,4.23338407821443,4.2339169463076844,4.233945531203189,4.233503953023127,4.233967166972734,4.233354515565777,4.234099313853718,4.2331560553224685,4.233692482235679,third
+271,7.61,95,4.4852427849522874e+17,3.43,1.2325602611778486,178.7,Branched,Enzyme,1,0.21882072376356748,0.18552917861571386,7.38,2.811296339727636,2.417655501825724,2.3575044069335105,2.3472447108593437,2.34535122242692,2.3458561428316203,2.344229369116611,2.346794741354945,2.344325385218819,2.3467437307452506,3.49,3.49,3.49,3.49,3.49,3.49,3.49,3.49,3.49,3.49,3.49,3.97,6.254351830136182,6.451172249087138,6.481247796533245,6.486377644570329,6.487324388786541,6.48707192858419,6.4878853154416944,6.486602629322528,6.487837307390591,6.486628134627375,second
+278,6.77,91,3.165392721437041e+17,3.75,1.3217558399823195,47.1,Unknown,Acid,1,2.520116980214994,1.8570753886642812,4.68,4.800165540479487,4.800312146075089,4.800367999457888,4.8003063877661765,4.800181374262321,4.800034119286143,4.800135944354234,4.800326421815984,4.800126781209136,4.8001409485272495,0.11,0.23016554047948606,0.2303121460750894,0.23036799945788736,0.23030638776617637,0.230181374262321,0.23003411928614312,0.23013594435423415,0.23032642181598345,0.23012678120913638,0.2301409485272493,1.62,1.4998344595205142,1.4996878539249108,1.4996320005421129,1.4996936122338236,1.499818625737679,1.4999658807138572,1.499864055645766,1.4996735781840167,1.4998732187908637,1.4998590514727508,second
+272,13.57,96,3.2937886377812397e+17,1.92,0.6523251860396901,176.7,Branched,Base,1,0.12057980708726873,0.08905812204725158,6.34,4.681463477834157,3.966502494007022,3.60778526241886,3.415602014119633,3.306548322789005,3.244889488779731,3.2081305692789686,3.187445338094172,3.174919242160693,3.167461605427333,4.74,3.0814634778341574,2.3665024940070225,2.0077852624188606,1.8156020141196334,1.7065483227890055,1.6448894887797312,1.6081305692789687,1.5874453380941724,1.5749192421606932,1.5674616054273331,3.47,5.1285365221658425,5.8434975059929775,6.202214737581139,6.394397985880366,6.503451677210994,6.565110511220269,6.601869430721031,6.622554661905827,6.635080757839307,6.642538394572667,second
+272,1.96,92,1.4965629096796832e+17,2.78,1.0224509277025455,97.6,Unknown,None,1,0.3212610315433664,0.16197384950518573,6.14,1.319867963479032,1.3045092877394904,1.3044010098137921,1.3050365284158132,1.305860509573777,1.304610746107607,1.303424940555507,1.3037881878505329,1.3054086129853397,1.3055578147531712,3.19,3.19,3.19,3.19,3.19,3.19,3.19,3.19,3.19,3.19,3.19,2.79,4.396710678840322,4.40183023742017,4.401866330062069,4.401654490528063,4.401379830142075,4.401796417964132,4.402191686481498,4.402070604049823,4.40153046233822,4.40148072841561,third
+274,13.12,96,2.3614449817874675e+17,0.54,-0.616186139423817,81.8,Ring,Base,0,0.11784986960562609,0.0853246022891126,6.14,3.1417040093348163,2.6961037388533535,2.5193728871572483,2.4322336794968265,2.3851410529734802,2.3583307529403053,2.342809499812178,2.3336262917713495,2.3281749105406884,2.3249094788059956,1.91,0.4108520046674079,0.18805186942667657,0.0996864435786239,0.056116839748412986,0.03257052648673997,0.01916537647015236,0.011404749906088502,0.006813145885674326,0.004087455270343864,0.002454739402997477,3.4,4.8991479953325925,5.1219481305733225,5.210313556421376,5.253883160251586,5.277429473513259,5.290834623529848,5.2985952500939115,5.303186854114325,5.305912544729656,5.307545260597003,third
+278,8.63,96,3.497037952152507e+17,1.25,0.22314355131420976,150.5,Linear,Acid,1,0.3200277021291548,0.17814874533999125,3.38,2.9576793252866196,2.6744170636602753,2.483268504722843,2.3562745591568106,2.2711506119670677,2.212958222863331,2.174600646596301,2.149023930573267,2.1314318448044776,2.1196542047654603,3.44,3.44,3.44,3.44,3.44,3.44,3.44,3.44,3.44,3.44,3.44,2.48,2.9023206747133803,3.185582936339724,3.3767314952771565,3.503725440843189,3.5888493880329317,3.6470417771366685,3.6853993534036986,3.7109760694267324,3.728568155195522,3.740345795234539,first
+273,9.97,99,3.78775074319428e+17,4.69,1.545432582458188,112.3,Unknown,Enzyme,0,0.04319815151477617,0.029608034539196366,8.76,8.46243859408386,8.17498483204625,7.897295339998789,7.629037346775531,7.369891344884657,7.119548921662034,6.87771122184984,6.644088947596558,6.418402358456975,6.200381271392185,4.17,4.17,4.17,4.17,4.17,4.17,4.17,4.17,4.17,4.17,4.17,1.64,1.64,1.64,1.64,1.64,1.64,1.64,1.64,1.64,1.64,1.64,first
+271,10.96,98,3.31387639145255e+17,2.29,0.8285518175661483,125.5,Branched,Base,1,0.042694768907094546,0.03613116648273214,9.16,8.917636344368313,8.749229928184079,8.630409870665531,8.546770404772879,8.487071752352227,8.443888467051167,8.41309456954489,8.390968786665995,8.374869790289377,8.363257347563762,1.1,0.8576363443683126,0.6892299281840787,0.5704098706655303,0.48677040477287914,0.42707175235222666,0.38388846705116686,0.3530945695448915,0.3309687866659953,0.31486979028937734,0.30325734756376166,1.86,2.1023636556316876,2.2707700718159214,2.38959012933447,2.473229595227121,2.5329282476477735,2.5761115329488335,2.6069054304551087,2.629031213334005,2.6451302097106226,2.6567426524362383,second
+273,6.06,95,1.7408431732395926e+17,4.82,1.572773928062509,127.9,Ring,Enzyme,0,0.11566814552558534,0.08707171372727511,4.2,1.2808602291912243,0.9277580200530415,0.7636263646137107,0.6637619253224866,0.5954105300995921,0.5445039527426042,0.504433639651571,0.47238110192861793,0.44592609303943254,0.42324147963855974,2.45,2.45,2.45,2.45,2.45,2.45,2.45,2.45,2.45,2.45,2.45,2.62,3.5930465902695916,3.7107473266489857,3.765457878462096,3.7987460248925045,3.8215298233001356,3.838498682419132,3.851855453449476,3.862539632690461,3.871357968986856,3.8789195067871467,third
+270,12.39,97,4.293111658320526e+17,3.54,1.264126727145683,79.4,Branched,Acid,0,0.07350490865836794,0.056064211182111454,5.4,5.091614751746425,4.800840949044299,4.526660712572255,4.268126708109467,4.024363739571253,3.7945363646110546,3.5778487419176375,3.3735446312150925,3.1809073932628373,2.999259989855614,3.79,3.79,3.79,3.79,3.79,3.79,3.79,3.79,3.79,3.79,3.79,1.96,2.268385248253576,2.5591590509557016,2.833339287427746,3.0918732918905345,3.335636260428748,3.5654636353889466,3.7821512580823637,3.9864553687849087,4.179092606737164,4.360740010144387,first
+280,10.16,94,3.005179140562685e+16,4.03,1.3937663759585917,90.6,Ring,None,0,0.08736191795346723,0.0445987173700237,4.02,3.9501104656372257,3.880220931274452,3.8103313969116783,3.7404418625489044,3.6705523281861305,3.6006627938233566,3.530773259460583,3.4608837250978093,3.3909941907350354,3.3211046563722615,2.61,2.61,2.61,2.61,2.61,2.61,2.61,2.61,2.61,2.61,2.61,0.24,0.3098895343627738,0.37977906872554756,0.44966860308832135,0.5195581374510951,0.5894476718138689,0.6593372061766427,0.7292267405394165,0.7991162749021903,0.8690058092649642,0.9388953436277379,zero
+280,7.09,98,3.185868280442003e+17,3.59,1.2781522025001875,161.4,Branched,Base,1,0.1661282600293708,0.13455172119831887,4.69,4.614336648386812,4.554866308372939,4.508140218326427,4.47081039424112,4.440956825972011,4.417884310722882,4.400610661290738,4.387861878698342,4.3780721521942185,4.369504209757478,3.47,3.47,3.47,3.47,3.47,3.47,3.47,3.47,3.47,3.47,3.47,5.0,5.075663351613189,5.135133691627061,5.181859781673573,5.2191896057588805,5.24904317402799,5.272115689277118,5.289389338709262,5.302138121301659,5.311927847805782,5.320495790242522,first
+276,5.32,97,2.2072002634960586e+17,1.15,0.13976194237515863,145.9,Ring,Base,0,0.09668349222982088,0.0595008218569006,8.54,7.904357479600158,7.3160270171095965,6.771407737491978,6.267242998229911,5.800642718621996,5.368869343184835,4.969336667192436,4.599609836676204,4.257405348424955,3.940591049984905,3.35,3.35,3.35,3.35,3.35,3.35,3.35,3.35,3.35,3.35,3.35,4.38,5.015642520399841,5.603972982890403,6.148592262508021,6.652757001770088,7.119357281378003,7.551130656815163,7.950663332807563,8.320390163323795,8.662594651575043,8.979408950015094,first
+280,7.53,98,1.7214816645762032e+17,3.26,1.1817271953786161,57.1,Unknown,Enzyme,1,0.08976728741868516,0.06237500782482025,2.75,1.6383301425052816,1.4982323679550706,1.4675961578265624,1.4602000369792576,1.458820404223932,1.4580579266006828,1.4581942365164555,1.4574384043614124,1.458701419123995,1.458344988175592,3.92,3.92,3.92,3.92,3.92,3.92,3.92,3.92,3.92,3.92,3.92,4.03,4.400556619164907,4.447255877348311,4.457467947391146,4.459933321006915,4.460393198592023,4.460647357799773,4.460601921161182,4.460853865212863,4.460432860292002,4.460551670608137,third
+276,3.22,98,1.2887818855376944e+17,4.71,1.5496879080283263,41.5,Unknown,Base,1,0.036511294860044154,0.03209219149606969,6.54,6.436061098052426,6.337672984693802,6.244539116926546,6.15637621695944,6.0729209228342915,5.993924464137147,5.919149330077636,5.848369269488979,5.781369290827978,5.71794566217503,2.79,2.79,2.79,2.79,2.79,2.79,2.79,2.79,2.79,2.79,2.79,3.28,3.3839389019475736,3.4823270153061974,3.575460883073454,3.6636237830405602,3.747079077165708,3.826075535862853,3.9008506699223635,3.9716307305110212,4.038630709172021,4.1020543378249705,first
+273,5.93,96,1.861152460865632e+17,4.65,1.536867219599265,194.3,Linear,None,0,0.07959641115484276,0.04525760585426849,6.1,6.036322871076125,5.972645742152252,5.908968613228377,5.845291484304503,5.781614355380629,5.717937226456755,5.65426009753288,5.590582968609006,5.526905839685132,5.463228710761258,2.4,2.4,2.4,2.4,2.4,2.4,2.4,2.4,2.4,2.4,2.4,2.07,2.133677128923874,2.1973542578477483,2.2610313867716223,2.3247085156954963,2.3883856446193708,2.4520627735432448,2.515739902467119,2.579417031390993,2.6430941603148677,2.7067712892387417,zero
+280,2.04,99,3.604999278262744e+17,4.93,1.5953389880545987,51.7,Ring,Base,0,0.1223381360083882,0.09606780339310525,6.79,6.69212949119329,6.594258982386579,6.496388473579868,6.398517964773158,6.300647455966447,6.2027769471597365,6.1049064383530265,6.007035929546316,5.909165420739605,5.811294911932894,2.56,2.56,2.56,2.56,2.56,2.56,2.56,2.56,2.56,2.56,2.56,4.61,4.70787050880671,4.805741017613421,4.903611526420132,5.001482035226842,5.099352544033553,5.197223052840264,5.295093561646974,5.392964070453685,5.490834579260396,5.5887050880671065,zero
+272,13.13,98,2.5265535797554992e+17,3.12,1.1378330018213911,185.4,Linear,Acid,0,0.03819576943573256,0.024228256606146175,4.47,4.439443384451414,4.4088867689028275,4.378330153354241,4.347773537805656,4.31721692225707,4.286660306708484,4.256103691159898,4.225547075611312,4.1949904600627255,4.164433844514139,2.03,2.03,2.03,2.03,2.03,2.03,2.03,2.03,2.03,2.03,2.03,1.88,1.910556615548586,1.941113231097172,1.971669846645758,2.002226462194344,2.03278307774293,2.0633396932915162,2.0938963088401024,2.1244529243886885,2.1550095399372746,2.1855661554858603,zero
+279,2.39,99,2.173823861158548e+17,4.66,1.5390154481375546,133.8,Branched,Enzyme,0,0.06334067181824087,0.054014970471450575,8.78,8.346179324445199,7.9337937467124515,7.541771905558188,7.169113001844328,6.814873810836535,6.478149634799033,6.158074302994601,5.853820171684575,5.564598124128846,5.289657570585867,2.45,2.45,2.45,2.45,2.45,2.45,2.45,2.45,2.45,2.45,2.45,1.83,2.2638206755548005,2.6762062532875475,3.068228094441811,3.440886998155672,3.7951261891634642,4.131850365200966,4.451925697005398,4.756179828315425,5.045401875871153,5.320342429414133,first
+270,9.46,93,9.647401671188464e+16,3.06,1.1184149159642893,172.3,Unknown,Enzyme,0,0.09813614336139526,0.07897651116018445,4.08,3.77193454690974,3.4871303556123268,3.223816056003489,2.9803358534419244,2.755245095563959,2.5471882056577178,2.354885940773723,2.1771353917248883,2.012809983086524,1.8608594731963326,2.91,2.91,2.91,2.91,2.91,2.91,2.91,2.91,2.91,2.91,2.91,4.55,4.55,4.55,4.55,4.55,4.55,4.55,4.55,4.55,4.55,4.55,first
+274,3.11,92,2.30540086325279e+17,4.46,1.4951487660319727,46.9,Ring,Base,1,0.6660008085142821,0.4620768574034637,7.7,5.893229289016863,5.1614094557510874,4.863946684021441,4.7447380658479945,4.69457574232234,4.675475155172317,4.666637486739052,4.664428944409297,4.662557460289113,4.661983983465989,4.17,4.17,4.17,4.17,4.17,4.17,4.17,4.17,4.17,4.17,4.17,3.68,5.486770710983137,6.218590544248912,6.516053315978559,6.635261934152005,6.68542425767766,6.704524844827683,6.713362513260948,6.715571055590703,6.717442539710887,6.718016016534011,first
+280,6.61,95,4.6415442518604595e+17,2.37,0.8628899551470398,85.9,Ring,None,0,0.8781228256118249,0.7810755423893766,9.23,0.48755670842151366,0.34476785857309145,0.2816669740106989,0.24399162659812848,0.21822290466239805,0.19915138361185836,0.184509353248974,0.17258651107512918,0.16267748546991428,0.15430037614082495,2.32,2.32,2.32,2.32,2.32,2.32,2.32,2.32,2.32,2.32,2.32,2.63,5.544147763859497,5.5917440471423046,5.6127776753297685,5.6253361244672915,5.633925698445868,5.640282872129381,5.64516354891701,5.649137829641625,5.652440838176696,5.65523320795306,third
+278,5.32,97,3.3340393320209914e+17,1.31,0.2700271372130602,91.7,Ring,Enzyme,0,0.19795057692782167,0.12930782617926526,5.1,4.353058819928759,3.715524781505818,3.170452042881501,2.7043622974302077,2.3073089344827977,1.9698493686706435,1.6830190069305784,1.4383312485048965,1.2280868720229392,1.0482240612360534,2.14,2.14,2.14,2.14,2.14,2.14,2.14,2.14,2.14,2.14,2.14,4.0,4.0,4.0,4.0,4.0,4.0,4.0,4.0,4.0,4.0,4.0,first
+275,13.54,93,2.180594525213377e+17,3.5,1.252762968495368,148.8,Unknown,None,1,0.4711198319722704,0.34687692891518757,6.61,1.1760345604240272,1.1696024672576983,1.16853088391397,1.1709310099165025,1.1690999565206375,1.171282256021674,1.169211845765655,1.170710422814986,1.1688621171370757,1.1700923512548964,1.25,1.25,1.25,1.25,1.25,1.25,1.25,1.25,1.25,1.25,1.25,0.36,2.1713218131919914,2.1734658442474344,2.173823038695344,2.1730229966945,2.1736333478264545,2.172905914659442,2.1735960514114487,2.1730965257283383,2.1737126276209753,2.173302549581701,third
+274,7.63,90,1.16700307717292e+17,4.76,1.5602476682433286,168.7,Linear,Enzyme,0,0.8111269313693652,0.590050617560934,4.95,2.5865211338114635,1.3513451739142446,0.7072449160788262,0.3696769451736283,0.19319320776714763,0.1011553646766086,0.0528744091901664,0.027633103306977404,0.014470432418229415,0.007564109489926547,3.92,3.92,3.92,3.92,3.92,3.92,3.92,3.92,3.92,3.92,3.92,2.86,5.223478866188536,6.4586548260857555,7.102755083921173,7.440323054826371,7.616806792232851,7.70884463532339,7.757125590809833,7.782366896693023,7.79552956758177,7.802435890510073,first
+270,2.25,96,8.442521205177654e+16,2.5,0.9162907318741551,32.5,Ring,None,0,0.022567577119241077,0.020037183365110945,7.99,7.971945938304607,7.953891876609215,7.935837814913822,7.917783753218429,7.899729691523037,7.881675629827644,7.863621568132251,7.845567506436858,7.827513444741465,7.809459383046073,0.93,0.93,0.93,0.93,0.93,0.93,0.93,0.93,0.93,0.93,0.93,0.06,0.07805406169539286,0.09610812339078573,0.11416218508617859,0.13221624678157146,0.15027030847696432,0.16832437017235719,0.18637843186775005,0.20443249356314291,0.22248655525853578,0.24054061695392864,zero
+270,2.7,94,2.4645443322606403e+17,3.35,1.208960345836975,50.4,Ring,Enzyme,1,0.1605782215272497,0.13474570471422817,8.44,7.061088382676122,6.643965855399484,6.500240446180213,6.448457687919889,6.429581040635731,6.422433489305279,6.419864891757826,6.418925123381629,6.41860755299245,6.418438253039472,2.52,1.1410883826761213,0.7239658553994839,0.5802404461802121,0.5284576879198895,0.5095810406357304,0.5024334893052782,0.4998648917578256,0.4989251233816288,0.498607552992449,0.4984382530394717,1.79,3.1689116173238787,3.586034144600516,3.729759553819788,3.78154231208011,3.8004189593642694,3.8075665106947216,3.8101351082421746,3.8110748766183713,3.811392447007551,3.8115617469605287,second
+274,6.11,100,2.8210253509076765e+17,1.79,0.5822156198526637,154.7,Linear,None,1,0.02432098911900327,0.01460242467621809,6.72,5.400990231356341,4.5521790131414805,3.962552290025878,3.53991856552738,3.2200780902325583,2.9731987628124896,2.7815645929892066,2.6293735604004844,2.5052741092758293,2.4043297286862764,1.19,1.19,1.19,1.19,1.19,1.19,1.19,1.19,1.19,1.19,1.19,3.57,4.2295048843218295,4.653910493429259,4.94872385498706,5.160040717236309,5.319960954883721,5.4434006185937545,5.539217703505396,5.6153132197997575,5.677362945362085,5.7278351356568615,second
+277,7.66,100,1.599543979156452e+17,1.66,0.5068176023684519,40.2,Linear,Base,0,0.0221842297881407,0.015127581362503044,7.21,6.672841632369387,6.229432230123597,5.856446748677233,5.539926664268156,5.269635765213582,5.036384835294034,4.832031653753342,4.649969980163559,4.488021683756617,4.343492045218679,4.64,4.102841632369387,3.6594322301235964,3.2864467486772324,2.9699266642681565,2.6996357652135825,2.4663848352940336,2.262031653753342,2.0799699801635585,1.9180216837566173,1.7734920452186789,2.72,3.2571583676306126,3.700567769876403,4.073553251322767,4.390073335731843,4.660364234786417,4.893615164705966,5.097968346246658,5.280030019836441,5.441978316243382,5.586507954781321,second
+274,13.5,95,2.721892187162719e+17,1.42,0.35065687161316933,81.9,Linear,Enzyme,1,0.21070092940936394,0.12858892705342298,8.11,7.0752860196585,6.8328515647917545,6.769414980399522,6.752278632687695,6.747550126531533,6.746276607948279,6.746032484030724,6.745807711438593,6.745898862076323,6.745868269822562,1.74,0.7052860196585007,0.46285156479175493,0.3994149803995228,0.382278632687696,0.37755012653153464,0.37627660794828016,0.37603248403072487,0.3758077114385929,0.37589886207632345,0.3758682698225629,2.79,3.824713980341499,4.067148435208245,4.130585019600478,4.147721367312305,4.152449873468466,4.15372339205172,4.153967515969275,4.154192288561407,4.154101137923677,4.154131730177437,second
+279,4.78,99,3.635572613538318e+16,4.04,1.3962446919730587,154.3,Branched,Base,0,0.010593296720130142,0.009256153280875873,6.47,5.830591554874907,5.3062313235182685,4.866887992937121,4.494777637860638,4.177950299297482,3.905395129937642,3.667040191888547,3.4538934611930765,3.2628811045226214,3.0918896696260467,0.49,0.49,0.49,0.49,0.49,0.49,0.49,0.49,0.49,0.49,0.49,2.0,2.3197042225625464,2.5818843382408656,2.801556003531439,2.9876111810696804,3.1460248503512585,3.2823024350311787,3.401479904055726,3.508053269403461,3.6035594477386885,3.689055165186976,second
+280,8.91,90,1.9518352556435072e+17,1.63,0.4885800148186709,89.7,Branched,Acid,1,3.1632320080475296,2.5639095563910743,3.59,1.3948381881336838,1.3960028761942391,1.3953844808009246,1.3947717914117528,1.3954822096627602,1.394205430000451,1.3960519355647016,1.3944599250554652,1.396634704158267,1.395283738400177,2.85,1.7524190940668423,1.7530014380971197,1.7526922404004626,1.7523858957058769,1.7527411048313803,1.7521027150002257,1.7530259677823512,1.7522299625277333,1.7533173520791339,1.752641869200089,3.11,4.207580905933159,4.206998561902881,4.207307759599539,4.207614104294126,4.207258895168622,4.2078972849997776,4.206974032217653,4.2077700374722715,4.206682647920869,4.207358130799914,third
+275,2.15,95,6.938378243591997e+16,2.57,0.9439058989071284,85.8,Unknown,Enzyme,1,0.06250466461634852,0.048948831906516256,6.69,4.71799877027581,4.398604965616083,4.310378124635148,4.283247588343234,4.274552577663882,4.271826053317593,4.2710367890559775,4.270639600797459,4.270626121763459,4.27061118879717,1.43,0.4439993851379049,0.2843024828080412,0.24018906231757367,0.22662379417161657,0.2222762888319405,0.22091302665879617,0.2205183945279885,0.22031980039872937,0.22031306088172906,0.2203055943985844,3.92,4.906000614862094,5.065697517191959,5.109810937682426,5.123376205828383,5.127723711168059,5.129086973341203,5.1294816054720105,5.12968019960127,5.129686939118271,5.129694405601415,third
+280,4.59,93,2.082740041256553e+17,2.64,0.9707789171582248,48.3,Ring,Acid,0,0.9303489768534468,0.5389712708728661,4.87,3.3230077477969493,3.2291377005852278,3.2208318847921316,3.2200757535563054,3.220007134693364,3.2200005997562773,3.2200000227459746,3.2200003259350427,3.2199989135694786,3.2200011252253558,1.65,0.10300774779694916,0.00913770058522765,0.0008318847921315684,7.57535563050773e-05,7.134693363698723e-06,5.997562771064151e-07,2.2745974576322192e-08,3.2593504269250384e-07,-1.0864305212414505e-06,1.1252253557659848e-06,4.73,6.276992252203051,6.370862299414774,6.37916811520787,6.3799242464436965,6.379992865306638,6.379999400243724,6.379999977254027,6.379999674064958,6.380001086430522,6.379998874774645,second
+270,6.44,98,4.195687402469102e+17,2.11,0.7466879474879751,40.5,Linear,Enzyme,0,0.04601280032377496,0.024913944919356425,9.28,2.077536155886993,1.4873288929607258,1.220083332217098,1.0592012405687745,0.9484534260352112,0.8663315041414865,0.8031191388504271,0.7515426182458014,0.7086459558914638,0.6723458245959735,4.18,4.18,4.18,4.18,4.18,4.18,4.18,4.18,4.18,4.18,4.18,0.59,2.990821281371002,3.1875570356797573,3.276638889260967,3.330266253143741,3.3671821913215956,3.39455616528617,3.4156269537165236,3.4328191272513986,3.447118014702845,3.459218058468008,third
+279,7.57,99,2.5617328090164275e+17,4.18,1.430311246536665,43.4,Unknown,Base,1,0.07464352565136152,0.045047051318569904,6.68,1.8317984005144097,1.549239868203511,1.4776551468591592,1.4564456650393183,1.4493323949010841,1.447660588500206,1.4465930242436496,1.446864543522471,1.4465444793126605,1.44651742852889,2.64,2.64,2.64,2.64,2.64,2.64,2.64,2.64,2.64,2.64,2.64,3.27,4.88606719982853,4.980253377265496,5.004114951046947,5.011184778320227,5.013555868366305,5.014113137166598,5.0144689919187835,5.01437848549251,5.014485173562447,5.01449419049037,third
+273,8.2,99,3.0620228236544346e+17,1.92,0.6523251860396901,148.5,Unknown,Enzyme,1,0.034921444109170224,0.024294272190667873,8.24,7.48185193776862,6.932073442025264,6.520637583759972,6.207703812168628,5.963013580918991,5.768454816303878,5.61362734060218,5.489366901770939,5.388051213112635,5.305099322223796,4.03,3.2718519377686195,2.7220734420252635,2.3106375837599717,1.997703812168627,1.753013580918991,1.5584548163038774,1.4036273406021802,1.2793669017709388,1.178051213112635,1.0950993222237961,1.56,2.318148062231381,2.867926557974737,3.279362416240029,3.5922961878313733,3.8369864190810095,4.031545183696123,4.18637265939782,4.3106330982290615,4.411948786887366,4.494900677776204,second
+273,1.53,95,3.362236695883175e+17,3.52,1.2584609896100056,88.7,Unknown,Acid,0,0.22339960853978283,0.11450483875498817,3.27,0.9282570400519601,0.6696532459725937,0.5509273053619821,0.47847151586499576,0.42921086877839937,0.39209689631377204,0.36340778373964416,0.34041099811599085,0.32109652959623564,0.3046947595942034,2.22,2.22,2.22,2.22,2.22,2.22,2.22,2.22,2.22,2.22,2.22,3.69,4.470580986649347,4.55678225134247,4.59635756487934,4.620509494711669,4.636929710407201,4.649301034562077,4.658864072086787,4.666529667294671,4.672967823467922,4.678435080135267,third
+275,1.51,91,1.533118988934618e+17,4.73,1.5539252025038417,112.6,Branched,Acid,0,0.7943910512631572,0.7033643129297793,7.26,3.842865693313935,2.03698834712542,1.0804115004335202,0.5718696769682898,0.3033567544137985,0.16083409976434254,0.08514409568523232,0.04517540216031996,0.02394150208606196,0.012690651262326411,4.82,4.82,4.82,4.82,4.82,4.82,4.82,4.82,4.82,4.82,4.82,2.4,2.4,2.4,2.4,2.4,2.4,2.4,2.4,2.4,2.4,2.4,first
+276,1.94,91,1.7705983345962912e+17,4.97,1.6034198401085373,34.4,Linear,Base,1,1.0597594684535727,0.627558515992849,6.32,2.693230849651037,2.6936723306605614,2.6930696796013454,2.693779417646958,2.692999551193955,2.693488925280861,2.6932513884288447,2.6926244116992244,2.694208287476428,2.693706720069909,2.31,0.49661542482551835,0.49683616533028063,0.4965348398006726,0.496889708823479,0.4964997755969775,0.49674446264043054,0.49662569421442243,0.49631220584961233,0.4971041437382138,0.4968533600349544,4.27,6.083384575174481,6.083163834669718,6.083465160199325,6.08311029117652,6.083500224403021,6.083255537359569,6.0833743057855765,6.083687794150386,6.082895856261785,6.083146639965044,third
+271,8.41,94,1.3143732435540834e+17,2.87,1.0543120297715298,93.9,Branched,None,1,0.09994841563723678,0.05706597360878169,9.38,7.578285037097633,6.810850183035205,6.4365373722668,6.242932877849749,6.1385328688140195,6.081466922360561,6.0500410062298275,6.032579846656616,6.022735552118633,6.017537178229577,4.08,2.2782850370976324,1.5108501830352057,1.1365373722667997,0.9429328778497488,0.8385328688140196,0.7814669223605617,0.7500410062298277,0.7325798466566169,0.7227355521186339,0.7175371782295776,4.11,5.9117149629023675,6.679149816964795,7.0534626277332,7.247067122150251,7.351467131185981,7.408533077639439,7.439958993770173,7.457420153343384,7.467264447881367,7.472462821770423,second
+271,2.68,94,1.1591889208390469e+17,3.46,1.2412685890696329,57.8,Linear,None,1,0.08814778954934933,0.07147619108228806,1.53,0.9779436868537847,0.8107149101495156,0.7456416595962791,0.7174343767511743,0.7047889491350423,0.6992312422936324,0.696518071783636,0.695295268349353,0.6949029738881745,0.6945698174042947,3.93,3.6539718434268926,3.570357455074758,3.53782082979814,3.5237171883755876,3.5173944745675216,3.5146156211468167,3.513259035891818,3.5126476341746766,3.5124514869440877,3.5122849087021475,1.67,1.9460281565731075,2.029642544925242,2.06217917020186,2.0762828116244125,2.0826055254324785,2.0853843788531834,2.086740964108182,2.0873523658253235,2.0875485130559124,2.0877150912978526,third
+272,10.43,92,4.750847971918283e+17,1.56,0.44468582126144574,98.6,Branched,Base,0,1.0198450798776317,0.7570889105865684,6.39,3.1711906708479987,3.041474757349566,3.0309661798979604,3.0300818501580875,3.030006810956108,3.030000631243172,3.0300000156570794,3.029999432533554,3.0300007053171263,3.0300001635374056,3.36,0.1411906708479992,0.011474757349566433,0.0009661798979606151,8.185015808789016e-05,6.810956107847241e-06,6.312431720703731e-07,1.565707951144195e-08,-5.674664462542762e-07,7.053171261540159e-07,1.635374052672523e-07,0.06,3.278809329152001,3.4085252426504336,3.4190338201020394,3.4199181498419122,3.419993189043892,3.4199993687568275,3.4199999843429203,3.4200005674664458,3.4199992946828734,3.419999836462594,second
+275,2.91,95,3.089816409383613e+17,3.56,1.269760544863939,45.6,Unknown,Base,1,0.2783473768859142,0.2499405186078436,5.58,2.48238943116255,2.2741324733105857,2.252531470208217,2.2498679068108114,2.2488801401478833,2.2499925355569212,2.246988556062809,2.2525468035058998,2.2513233064894567,2.249874348226705,1.02,1.02,1.02,1.02,1.02,1.02,1.02,1.02,1.02,1.02,1.02,3.97,5.518805284418725,5.622933763344709,5.633734264895893,5.635066046594597,5.63555992992606,5.635003732221541,5.636505721968598,5.633726598247052,5.634338346755274,5.635062825886649,second
+275,6.71,92,3.194520600677947e+16,1.04,0.03922071315328133,162.6,Linear,Base,0,0.10688411555460163,0.06817800899940954,6.52,3.088068213894182,2.0229319356333244,1.503627028779204,1.197936156151995,0.9940250404149082,0.8509157994335763,0.7426925064441291,0.659059813808056,0.592973863003146,0.538661466207165,0.2,0.2,0.2,0.2,0.2,0.2,0.2,0.2,0.2,0.2,0.2,1.42,3.135965893052909,3.668534032183338,3.9281864856103983,4.081031921924002,4.182987479792546,4.254542100283212,4.308653746777935,4.350470093095971,4.383513068498426,4.4106692668964165,second
+271,6.95,99,2.340862707015719e+17,3.27,1.184789984909162,151.0,Ring,None,0,0.019349047659756972,0.013866147531237822,7.12,7.068005630940684,7.02172349625667,6.98044285859713,6.943555062758785,6.910607894491435,6.881182150138738,6.854886578737457,6.831357882017459,6.810260714401713,6.791287683006299,0.5,0.44800563094068435,0.4017234962566708,0.36044285859713066,0.32355506275878543,0.29060789449143554,0.26118215013873886,0.23488657873745775,0.21135788201745906,0.1902607144017144,0.17128768300629976,4.44,4.4919943690593165,4.53827650374333,4.57955714140287,4.616444937241216,4.649392105508565,4.678817849861263,4.705113421262544,4.728642117982542,4.749739285598287,4.768712316993701,second
+277,6.39,94,3.419191795680485e+17,2.95,1.0818051703517284,128.7,Branched,None,0,0.6418724597819743,0.4287521423445545,4.76,4.161974601795221,4.098693606061115,4.091064807691026,4.090130533647018,4.090016139723714,4.090001874942828,4.0900001574678555,4.09000014223452,4.089999932115424,4.090000208909382,0.67,0.07197460179522083,0.00869360606111533,0.0010648076910265945,0.00013053364701872555,1.613972371389744e-05,1.8749428286935971e-06,1.5746785533718258e-07,1.4223451997672775e-07,-6.788457631897696e-08,2.089093822936565e-07,2.16,2.7580253982047793,2.821306393938885,2.828935192308974,2.829869466352982,2.8299838602762875,2.8299981250571724,2.8299998425321458,2.8299998577654812,2.8300000678845776,2.829999791090619,second
+276,7.63,99,9.372137437575826e+16,1.23,0.20701416938432612,150.1,Unknown,Enzyme,1,0.01717211085197444,0.015159130121499657,4.76,3.2816204720909474,2.6244510450199816,2.2500889274720457,2.0127014312389493,1.848126018889835,1.7306364988771605,1.6448520646472913,1.5792909829912352,1.5292002560424032,1.4905199320426008,4.15,3.4108102360454735,3.0822255225099906,2.8950444637360224,2.776350715619474,2.694063009444917,2.63531824943858,2.592426032323645,2.5596454914956173,2.5346001280212014,2.5152599660213,3.29,4.029189763954526,4.3577744774900085,4.544955536263977,4.663649284380526,4.745936990555083,4.80468175056142,4.847573967676355,4.880354508504382,4.905399871978799,4.9247400339787,third
+271,13.83,90,2.955664498596616e+17,3.42,1.2296405510745139,115.4,Branched,None,1,1.3265730863149947,0.7986944803614158,7.2,7.33614258729836,7.336135016213878,7.336283035391079,7.335939487688309,7.336365663199665,7.336016823385202,7.336061650549807,7.336202784351026,7.335956029009891,7.33608104355476,0.08,0.21614258729835964,0.2161350162138784,0.21628303539108057,0.21593948768831034,0.21636566319966635,0.21601682338520234,0.21606165054980714,0.21620278435102688,0.21595602900989164,0.21608104355476118,2.77,2.6338574127016403,2.633864983786121,2.6337169646089187,2.634060512311689,2.6336343368003328,2.633983176614797,2.633938349450192,2.6337972156489724,2.634043970990108,2.6339189564452385,second
+274,2.75,93,3.7966799673352525e+17,2.77,1.0188473201992472,146.6,Branched,None,1,0.7071117243844584,0.605099789598764,6.71,1.558660064232705,1.517016179979753,1.5167151402546397,1.5178314981946701,1.5174269875261923,1.5159334446237986,1.5148948983761765,1.51506984099285,1.5167603695176473,1.5172456163411463,1.95,1.95,1.95,1.95,1.95,1.95,1.95,1.95,1.95,1.95,1.95,0.09,2.6656699678836477,2.686491910010124,2.6866424298726805,2.686084250902666,2.686286506236905,2.687033277688102,2.687552550811913,2.687465079503576,2.6866198152411775,2.686377191829428,second
+275,3.21,92,1.284505046027955e+17,2.19,0.7839015438284094,139.3,Ring,Enzyme,0,0.42977711817223596,0.3286469414358624,4.07,2.8857893126253105,2.0459340215731245,1.4495250035443672,1.0291085856568118,0.7298975120925755,0.517250752675894,0.36734148304893355,0.26040737488368687,0.18462928681615481,0.1310846818892925,2.62,2.62,2.62,2.62,2.62,2.62,2.62,2.62,2.62,2.62,2.62,3.52,4.704210687374689,5.544065978426875,6.140474996455633,6.560891414343188,6.860102487907424,7.072749247324106,7.222658516951066,7.329592625116313,7.405370713183845,7.458915318110708,first
+271,4.1,92,2.4945334459815523e+17,1.36,0.3074846997479607,28.5,Linear,Enzyme,1,0.4608461428069569,0.2690336635183144,3.78,1.5738732764383292,1.5421543390931833,1.5412515961254964,1.541621388747372,1.5419444711900798,1.541879702857279,1.5419451726282636,1.5420258755428542,1.5420901941725997,1.5415015110848307,2.12,1.0169366382191651,1.001077169546592,1.0006257980627487,1.0008106943736863,1.0009722355950403,1.00093985142864,1.0009725863141323,1.0010129377714274,1.0010450970863003,1.0007507555424158,2.95,4.0530633617808345,4.068922830453407,4.069374201937251,4.069189305626312,4.069027764404959,4.069060148571359,4.069027413685867,4.068987062228572,4.068954902913699,4.069249244457584,third
+277,9.52,92,3.934206141304078e+17,2.78,1.0224509277025455,166.4,Branched,Base,0,1.7601165562497065,0.9409678395527822,7.56,4.572922757185257,4.570004955571404,4.5699996102834195,4.570000115968346,4.570000472203698,4.570001062180531,4.57000099140152,4.570001196751965,4.570001168121505,4.570000406720768,2.99,0.0029227571852577378,4.955571406526654e-06,-3.8971657818641284e-07,1.159683485947356e-07,4.7220369952803883e-07,1.0621805330511966e-06,9.914015221954287e-07,1.1967519675343677e-06,1.1681215069070172e-06,4.0672076981770064e-07,1.74,4.727077242814742,4.729995044428595,4.730000389716579,4.729999884031653,4.729999527796301,4.729998937819468,4.729999008598479,4.729998803248034,4.729998831878494,4.729999593279231,second
+280,10.77,99,3.929555076169707e+17,1.86,0.62057648772511,51.0,Ring,Acid,0,0.1333521607783979,0.10525427293731356,6.16,1.227978809361823,0.8764614432179128,0.7182418396326952,0.6231955763275154,0.5578630561962655,0.5094470649816357,0.47220415540871363,0.44182854822188566,0.41657136761923524,0.39520350471929133,3.36,3.36,3.36,3.36,3.36,3.36,3.36,3.36,3.36,3.36,3.36,3.67,5.31400706354606,5.431179518927363,5.483919386789101,5.515601474557495,5.537378981267912,5.553517645006122,5.565931948197096,5.576057150592705,5.584476210793588,5.591598831760236,third
+278,7.1,96,4.658166320361116e+17,3.1,1.1314021114911006,109.9,Linear,Base,1,0.42628712757406667,0.24192613723999912,9.08,7.054460502411689,5.866877746920679,5.1733037835334175,4.764943713803466,4.52735046237799,4.386918628747679,4.304840622285114,4.2578123020931775,4.229181079310083,4.212645738389875,1.72,1.72,1.72,1.72,1.72,1.72,1.72,1.72,1.72,1.72,1.72,2.49,4.515539497588311,5.7031222530793215,6.396696216466583,6.8050562861965345,7.04264953762201,7.183081371252321,7.265159377714887,7.312187697906823,7.340818920689918,7.3573542616101255,first
+273,8.21,95,4.2189641200309894e+17,1.1,0.09531017980432493,140.8,Branched,Enzyme,0,0.2803237898189489,0.23529980700605066,8.8,1.7826190876913945,0.9930867893677047,0.6880088555410506,0.5257956586216692,0.42601660784730594,0.35765621836780975,0.30868877628333224,0.2711444581047178,0.24177683613593948,0.21816416406104847,3.13,3.13,3.13,3.13,3.13,3.13,3.13,3.13,3.13,3.13,3.13,2.46,5.968690456154302,6.363456605316148,6.515995572229475,6.5971021706891655,6.646991696076347,6.681171890816095,6.705655611858334,6.724427770947641,6.73911158193203,6.750917917969476,second
+271,11.25,95,4.132863620935278e+17,0.89,-0.11653381625595151,90.9,Linear,Acid,0,0.20162926559588593,0.12114642582482811,5.31,4.518979793771011,3.8454657626894244,3.2724531910397365,2.785224686001193,2.370651513629574,2.017366290642766,1.71659238529084,1.4608964582975825,1.2435430143630626,1.058492409245417,2.06,2.06,2.06,2.06,2.06,2.06,2.06,2.06,2.06,2.06,2.06,0.06,0.8510202062289882,1.5245342373105752,2.0975468089602636,2.584775313998807,2.999348486370426,3.3526337093572343,3.65340761470916,3.9091035417024176,4.1264569856369375,4.311507590754583,first
+276,3.04,97,4.494673600262162e+17,3.13,1.1410330045520618,170.0,Unknown,Base,1,0.19688324040801464,0.11440488329987132,4.56,4.099200740348272,3.739999892553709,3.4590435150469805,3.240409531549924,3.0712772084589224,2.939693744709854,2.8359676274653625,2.755096478165988,2.6923544473810757,2.6434680085166407,1.42,1.42,1.42,1.42,1.42,1.42,1.42,1.42,1.42,1.42,1.42,2.16,2.620799259651728,2.9800001074462914,3.2609564849530197,3.479590468450076,3.648722791541078,3.7803062552901467,3.8840323725346377,3.964903521834012,4.0276455526189245,4.0765319914833595,first
+271,4.24,94,2.3275606320593334e+17,3.96,1.3762440252663892,166.5,Ring,Enzyme,1,0.17699386275156123,0.10727389354242459,4.7,4.227559842238669,3.85118938253328,3.550551626027392,3.31148415985919,3.122133301458163,2.971573016282883,2.85068157836226,2.754317236581797,2.6777571426788285,2.6167895664961676,1.06,1.06,1.06,1.06,1.06,1.06,1.06,1.06,1.06,1.06,1.06,1.6,2.0724401577613314,2.448810617466721,2.7494483739726086,2.9885158401408107,3.1778666985418376,3.328426983717118,3.4493184216377406,3.5456827634182035,3.6222428573211722,3.683210433503833,first
+272,12.82,96,3.8043549135526285e+17,0.99,-0.01005033585350145,154.5,Branched,Enzyme,0,0.13927074017617816,0.12374259958454982,3.61,3.4985834078590576,3.387166815718115,3.2757502235771727,3.16433363143623,3.0529170392952873,2.9415004471543447,2.8300838550134024,2.7186672628724597,2.6072506707315175,2.495834078590575,2.02,2.02,2.02,2.02,2.02,2.02,2.02,2.02,2.02,2.02,2.02,1.89,2.0014165921409424,2.112833184281885,2.2242497764228273,2.33566636856377,2.4470829607047127,2.5584995528456553,2.6699161449865976,2.7813327371275403,2.8927493292684825,3.004165921409425,zero
+275,10.41,96,2.4333208084066803e+17,1.78,0.5766133643039938,174.4,Linear,Base,1,0.14154770161773847,0.07651039540880364,9.88,8.99208512454729,8.246223461261863,7.618519327195056,7.091522409021538,6.650247513172585,6.280784347686016,5.970297522206196,5.708274745853064,5.488167379773906,5.303311933607231,0.84,0.84,0.84,0.84,0.84,0.84,0.84,0.84,0.84,0.84,0.84,2.47,3.3579148754527126,4.1037765387381375,4.731480672804945,5.258477590978464,5.699752486827417,6.069215652313986,6.379702477793805,6.641725254146937,6.861832620226095,7.04668806639277,first
+275,1.76,98,3.670079209810722e+17,4.52,1.5085119938441398,119.4,Unknown,Base,1,0.0890178043440276,0.0535427822862967,5.79,3.4121921571246485,2.595088206052598,2.229438671483215,2.0431804851233575,1.945067950387174,1.889969367306013,1.8602532509157454,1.842318302231287,1.8328053695565996,1.8275289053507724,2.39,2.39,2.39,2.39,2.39,2.39,2.39,2.39,2.39,2.39,2.39,3.52,4.708903921437676,5.117455896973701,5.300280664258393,5.393409757438322,5.442466024806413,5.470015316346993,5.484873374542127,5.493840848884357,5.4985973152217005,5.501235547324614,second
+275,11.94,92,1.0985751941248912e+17,0.53,-0.6348782724359695,60.9,Unknown,None,1,0.3675676343090248,0.1933672008408203,9.77,4.594033009191912,4.592582311932172,4.592540903350845,4.592520559350598,4.592768885026249,4.592965336047609,4.593105977729147,4.592824658534765,4.592766039141809,4.59282200298089,2.73,0.14201650459595538,0.14129115596608516,0.14127045167542182,0.14126027967529808,0.14138444251312363,0.14148266802380371,0.14155298886457232,0.14141232926738112,0.14138301957090318,0.1414110014904437,3.08,5.6679834954040444,5.668708844033914,5.668729548324578,5.668739720324702,5.668615557486875,5.6685173319761955,5.668447011135427,5.668587670732618,5.668616980429095,5.668588998509556,third
+271,9.07,91,1.688336594391975e+17,3.46,1.2412685890696329,20.9,Unknown,Acid,1,0.48616128370143746,0.2568654348603397,7.87,5.683379402397152,4.4756794579802825,3.810612697055165,3.4432292857758187,3.2401063334261635,3.1285388998240764,3.066635566327134,3.032229552239896,3.0141789037257256,3.0034869647912195,2.74,2.74,2.74,2.74,2.74,2.74,2.74,2.74,2.74,2.74,2.74,0.78,2.966620597602848,4.174320542019717,4.839387302944835,5.206770714224181,5.4098936665738355,5.521461100175923,5.583364433672866,5.617770447760103,5.635821096274275,5.6465130352087805,first
+273,3.84,97,2.700723387149992e+16,2.89,1.0612565021243408,71.7,Unknown,None,0,0.007434453559382772,0.004025763382778294,8.63,8.57882486713544,8.527953198262624,8.47738319386886,8.427113065050047,8.377141033533402,8.327465331796418,8.278084202669271,8.22899589931174,8.1801986852132,8.131690834192636,0.48,0.48,0.48,0.48,0.48,0.48,0.48,0.48,0.48,0.48,0.48,3.41,3.4611751328645597,3.5120468017373754,3.562616806131141,3.612886934949953,3.6628589664665974,3.712534668203581,3.761915797330728,3.8110041006882605,3.8598013147867993,3.9083091658073643,first
+280,10.81,96,2.4289077727763306e+17,1.55,0.4382549309311553,132.5,Linear,Enzyme,0,0.2990506647228099,0.2163936753142134,5.09,4.006967895001484,3.154127334831955,2.481632235937799,1.953716607958731,1.5395264320180548,1.2121361892712363,0.9536292095803958,0.7508383302042628,0.5917623937519315,0.4659995514275835,0.85,0.85,0.85,0.85,0.85,0.85,0.85,0.85,0.85,0.85,0.85,2.25,3.333032104998516,4.185872665168045,4.8583677640622005,5.386283392041269,5.800473567981945,6.127863810728763,6.386370790419604,6.589161669795737,6.748237606248068,6.874000448572416,first
+275,8.32,92,1.6360125860455488e+17,3.27,1.184789984909162,27.1,Branched,None,0,0.5473865413751445,0.3679526507944322,1.44,0.5684571237034264,0.41840155938061663,0.34658207342878383,0.3021329935834848,0.27158405397352076,0.2486309885632256,0.2305631313806987,0.21608455506327395,0.20408678888554793,0.19377525788741742,4.28,4.28,4.28,4.28,4.28,4.28,4.28,4.28,4.28,4.28,4.28,1.14,1.4305142920988578,1.4805328135397944,1.5044726421904053,1.5192890021388383,1.5294719820088263,1.537123003812258,1.5431456228731004,1.5479718149789086,1.551971070371484,1.5554082473708608,third
+278,11.43,98,2.4831909603610902e+17,4.24,1.4445632692438664,33.3,Branched,Enzyme,0,0.09565220738849287,0.07813701426458326,4.46,4.184481455635076,3.9953890680093744,3.861521575218133,3.7655018379963887,3.694674296125734,3.6421035757101925,3.6030313795815467,3.5735328679852523,3.5512163470964255,3.5343195523630855,0.98,0.7044814556350767,0.5153890680093748,0.3815215752181332,0.28550183799638906,0.21467429612573463,0.1621035757101929,0.12303137958154739,0.09353286798525262,0.07121634709642609,0.05431955236308582,1.11,1.3855185443649234,1.5746109319906254,1.708478424781867,1.8044981620036111,1.8753257038742654,1.9278964242898073,1.9669686204184527,1.9964671320147473,2.018783652903574,2.0356804476369144,second
+273,5.5,91,4.0657611911956045e+17,2.34,0.85015092936961,160.9,Branched,None,1,1.5738608875782607,1.2120214355777514,1.08,1.2288094756187133,1.2293174847924833,1.2279571580932434,1.2286555886852981,1.2297673963848221,1.2295814349877532,1.2279504839418613,1.228645717920202,1.22935026696419,1.2288038083926514,0.08,0.08,0.08,0.08,0.08,0.08,0.08,0.08,0.08,0.08,0.08,2.46,2.410396841460428,2.4102275050691713,2.4106809473022515,2.4104481371049,2.410077534538392,2.4101395216707484,2.410683172019379,2.410451427359932,2.410216577678603,2.410398730535782,third
+273,7.14,98,5.018878215801618e+16,4.28,1.4539530095937054,41.7,Unknown,Base,0,0.008892687215229,0.005576948598675522,2.65,2.6154880962492064,2.582049603044012,2.5496357002620362,2.518200364388393,2.4877005220888,2.4580956953353263,2.429347464959369,2.401419468521381,2.3742774003108686,2.3478890113463935,1.86,1.8254880962492066,1.792049603044012,1.759635700262036,1.7282003643883928,1.6977005220888,1.6680956953353263,1.6393474649593693,1.611419468521381,1.5842774003108686,1.5578890113463937,4.33,4.364511903750794,4.397950396955988,4.430364299737964,4.461799635611608,4.4922994779112,4.521904304664674,4.550652535040631,4.578580531478619,4.605722599689132,4.632110988653607,second
+280,12.3,100,3.635912673672524e+17,4.47,1.4973884086254774,119.1,Branched,Acid,1,0.08029917761555877,0.05960709781893612,6.05,5.85915816453391,5.688525639144899,5.535936830629768,5.399372446647571,5.277261873096064,5.1681752000567895,5.070766277539732,4.983772715483316,4.906015883754403,4.836400912148295,3.32,3.32,3.32,3.32,3.32,3.32,3.32,3.32,3.32,3.32,3.32,3.92,4.11084183546609,4.281474360855101,4.434063169370232,4.570627553352429,4.692738126903936,4.80182479994321,4.899233722460267,4.9862272845166835,5.063984116245597,5.133599087851705,first
+270,1.31,99,3.9217730394418816e+17,4.22,1.4398351280479205,166.8,Ring,Acid,1,0.027547956017128148,0.0219236909955661,6.96,2.698220868834518,2.132998024830925,1.9186900811722147,1.8191579301528384,1.7671717538907012,1.740946393982358,1.7256196370783377,1.7179340659559064,1.7137800507615366,1.711169969416812,4.76,4.76,4.76,4.76,4.76,4.76,4.76,4.76,4.76,4.76,4.76,4.51,5.930593043721826,6.119000658389691,6.190436639609262,6.223614023282387,6.240942748703099,6.249684535339214,6.25479345430722,6.2573553113480305,6.258739983079487,6.259610010194396,third
+280,9.46,98,3.222357001172261e+17,1.41,0.34358970439007686,143.4,Linear,None,1,0.16803097764102748,0.1472275946741162,8.95,1.5905790301455014,1.5359016224461106,1.5331468626777647,1.5325868030139846,1.5319913005221373,1.5337783357200347,1.534631099577275,1.534714958193971,1.5339887485111725,1.5333846575868058,2.85,2.85,2.85,2.85,2.85,2.85,2.85,2.85,2.85,2.85,2.85,1.64,4.093140323284833,4.111366125851297,4.112284379107412,4.112471065662005,4.11266956649262,4.112073888093321,4.111789633474241,4.111761680602009,4.112003750496275,4.112205114137731,third
+280,3.28,90,1.6181824656001994e+17,0.64,-0.4462871026284195,29.0,Branched,None,0,2.6224992889372847,2.163626992776143,4.55,0.22718739863402077,0.11657662834769696,0.0783882338198305,0.059066116277912376,0.04732867407927216,0.03954924426385009,0.033918726005031194,0.029699233707058716,0.0264436268101383,0.02380872492423521,0.55,0.55,0.55,0.55,0.55,0.55,0.55,0.55,0.55,0.55,0.55,1.33,3.4914063006829896,3.546711685826151,3.5658058830900847,3.5754669418610434,3.581335662960364,3.585225377868075,3.5880406369974844,3.590150383146471,3.591778186594931,3.5930956375378824,second
+274,12.63,95,7.0596190684866136e+16,1.41,0.34358970439007686,91.7,Unknown,Acid,1,0.05464831803484193,0.044716406572122634,7.11,4.483327092386618,3.368300266571101,2.778460756112444,2.4317256629616173,2.2130054281627065,2.070726310930299,1.9737414947926424,1.9087101453590967,1.8635696849463057,1.8316596261930354,1.41,1.41,1.41,1.41,1.41,1.41,1.41,1.41,1.41,1.41,1.41,1.09,2.4033364538066913,2.96084986671445,3.255769621943778,3.429137168519192,3.538497285918647,3.6096368445348506,3.658129252603679,3.690644927320452,3.7132151575268475,3.729170186903483,second
+280,8.9,90,1.9751164285773565e+17,0.67,-0.40047756659712525,109.7,Unknown,Enzyme,1,3.2009625240817643,2.246906250491398,9.54,4.727209976571964,4.666286030111041,4.662143245058073,4.662797191800782,4.66625894485618,4.667553577442907,4.662252015088658,4.66450205247456,4.666559029472651,4.665550449757952,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,1.77,6.582790023428036,6.6437139698889585,6.647856754941927,6.647202808199218,6.64374105514382,6.642446422557093,6.647747984911342,6.645497947525439,6.643440970527348,6.644449550242047,first
+273,1.03,93,2.7571547794089786e+17,3.64,1.2919836816486494,36.3,Unknown,Acid,0,0.4421813764535864,0.35854920742266977,2.28,0.6518225799906152,0.24920585345718518,0.10394991680771026,0.04485065836191893,0.019621204905911238,0.008629055582204182,0.0038039078051350602,0.0016795339675694525,0.0007425569712848168,0.00032877907991249314,4.59,2.9618225799906153,2.5592058534571853,2.4139499168077103,2.3548506583619195,2.3296212049059117,2.3186290555822047,2.3138039078051356,2.31167953396757,2.310742556971286,2.3103287790799136,2.95,4.578177420009384,4.980794146542814,5.12605008319229,5.185149341638081,5.210378795094089,5.221370944417796,5.226196092194865,5.22832046603243,5.229257443028715,5.229671220920087,second
+278,8.14,100,4.1879279429732435e+17,3.28,1.1878434223960523,26.6,Ring,Enzyme,1,0.0679018691572741,0.04487867034220641,9.02,8.559370246412717,8.13839750131012,7.753585808223863,7.402003313471827,7.080891026523909,6.787647384568123,6.5198282525105995,6.275146922975579,6.051474116305419,5.846954740699433,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.23,0.6906297535872826,1.1116024986898794,1.4964141917761364,1.8479966865281734,2.1691089734760913,2.4623526154318767,2.7301717474894005,2.974853077024421,3.1985258836945807,3.403045259300567,first
+280,7.18,99,1.4936670964254413e+17,4.18,1.430311246536665,101.0,Branched,Acid,1,0.05068862273997709,0.03706725277533553,7.83,4.567222458617894,4.029127617157173,3.842685430447957,3.7666125801099555,3.733528290938289,3.719240159222003,3.712485949167455,3.7097708222922297,3.7083207081969545,3.707750633950793,2.41,0.7786112293089469,0.5095638085785867,0.4163427152239786,0.37830629005497785,0.36176414546914476,0.3546200796110016,0.3512429745837276,0.3498854111461151,0.34916035409847757,0.3488753169753968,4.49,6.121388770691054,6.390436191421414,6.483657284776022,6.521693709945023,6.538235854530856,6.545379920388999,6.548757025416274,6.550114588853886,6.550839645901524,6.551124683024605,third
+276,3.25,94,2.4841644712874528e+17,0.62,-0.4780358009429998,95.3,Branched,None,0,0.4022344539758435,0.24306172446966734,9.9,3.7929084173538614,3.780130312906718,3.78000166599578,3.7799991620322158,3.779999874811467,3.7800038683738784,3.779999547692031,3.7800012524533604,3.780001835264644,3.7800003470871366,3.06,0.006454208676930477,6.515645335896197e-05,8.329978898176614e-07,-4.1898389211328324e-07,-6.259426638714223e-08,1.934186939258687e-06,-2.2615398439522853e-07,6.262266805843243e-07,9.17632322394688e-07,1.7354356885751273e-07,4.57,7.62354579132307,7.629934843546641,7.62999916700211,7.630000418983891,7.630000062594266,7.6299980658130595,7.630000226153983,7.629999373773319,7.629999082367677,7.629999826456431,third
+280,12.01,94,1.0551075066750832e+17,4.79,1.5665304114228238,143.4,Linear,Acid,0,0.3067245282854488,0.21310324001681083,8.13,6.776717099378883,6.554367452869627,6.510974494435709,6.50223085204076,6.500452496562202,6.50009239180496,6.500018781497097,6.500003883561518,6.500000995312864,6.50000021032749,1.63,0.27671709937888167,0.054367452869625806,0.010974494435707798,0.0022308520407578443,0.0004524965622012293,9.23918049585115e-05,1.878149709517834e-05,3.883561516032613e-06,9.953128621636814e-07,2.1032748775577096e-07,1.97,3.3232829006211184,3.5456325471303742,3.5890255055642926,3.5977691479592426,3.5995475034377993,3.5999076081950423,3.5999812185029056,3.5999961164384846,3.599999004687138,3.5999997896725127,second
+279,6.55,90,1.688082065502124e+17,3.9,1.3609765531356006,187.5,Branched,Base,1,2.3817770922171015,1.5188481576228559,1.51,1.1345712921505477,1.134871216924278,1.134758411020775,1.1342672263085563,1.1345095343773537,1.1337526461709722,1.134241700448394,1.133545897868729,1.1339165307446006,1.134726180866826,2.82,2.82,2.82,2.82,2.82,2.82,2.82,2.82,2.82,2.82,2.82,1.83,2.017714353924726,2.0175643915378605,2.017620794489612,2.0178663868457214,2.0177452328113232,2.018123676914514,2.017879149775803,2.0182270510656357,2.0180417346276998,2.0176369095665874,second
+274,4.29,95,1.038508321530938e+17,2.94,1.0784095813505903,109.0,Linear,Enzyme,1,0.08039064499979995,0.07032209499057006,2.47,1.5232079761939763,1.1875617334972504,1.0197142519396631,0.9243351792442431,0.8652795820697705,0.8283117519399407,0.803868356818494,0.7876590555132664,0.7771766637329812,0.7699304797816456,2.36,1.8866039880969876,1.7187808667486246,1.634857125969831,1.5871675896221211,1.5576397910348847,1.53915587596997,1.5269341784092465,1.5188295277566326,1.51358833186649,1.5099652398908223,0.12,0.593396011903012,0.761219133251375,0.8451428740301686,0.8928324103778786,0.922360208965115,0.9408441240300299,0.9530658215907533,0.961170472243367,0.9664116681335096,0.9700347601091774,third
+273,4.26,99,1.876657343395762e+17,2.39,0.8712933659434193,67.6,Unknown,Acid,0,0.02140270935382649,0.01623273460225656,4.73,4.070590052486601,3.572741393756426,3.1818208371799592,2.869338138151594,2.6158428987893028,2.4040242798930156,2.221312941614069,2.064285737394052,1.9280781801398768,1.8086983612582077,4.09,4.09,4.09,4.09,4.09,4.09,4.09,4.09,4.09,4.09,4.09,2.67,2.9997049737566996,3.2486293031217874,3.4440895814100205,3.600330930924203,3.727078550605349,3.8329878600534926,3.9243435291929663,4.002857131302974,4.070960909930062,4.130650819370897,second
+270,3.06,92,6.570796719139281e+16,3.88,1.355835153635182,70.5,Ring,Acid,0,0.10435308061387881,0.07963941484664187,8.05,7.405252507587017,6.812145717623325,6.266498239103981,5.764422264252193,5.3025750450777185,4.877824609603209,4.487219515995379,4.127988852565011,3.7975422377669465,3.493469820200094,2.56,2.56,2.56,2.56,2.56,2.56,2.56,2.56,2.56,2.56,2.56,0.27,0.27,0.27,0.27,0.27,0.27,0.27,0.27,0.27,0.27,0.27,first
+273,5.22,94,2.2248199872916928e+17,3.33,1.2029723039923526,33.1,Ring,Enzyme,0,0.2296632940659453,0.17236429026414038,3.7,3.516269364747244,3.3325387294944875,3.1488080942417316,2.9650774589889752,2.781346823736219,2.5976161884834625,2.413885553230706,2.2301549179779503,2.0464242827251944,1.8626936474724378,1.27,1.27,1.27,1.27,1.27,1.27,1.27,1.27,1.27,1.27,1.27,3.51,3.693730635252756,3.8774612705055125,4.061191905758268,4.244922541011024,4.428653176263781,4.612383811516537,4.796114446769294,4.97984508202205,5.163575717274806,5.347306352527562,zero
+278,1.99,90,4.8581258175605037e+17,4.2,1.4350845252893227,147.1,Unknown,Enzyme,0,5.961602756514895,4.889885641746765,6.33,3.999999830991946,4.000000771616583,4.000001402063146,3.999999675437014,3.9999993606561306,4.000000610509573,4.0000013383086666,4.000000389005882,3.999999673161205,4.000000779507512,2.33,-1.6900805490996928e-07,7.716165819302852e-07,1.4020631440915249e-06,-3.245629881366167e-07,-6.393438716433052e-07,6.105095701601877e-07,1.3383086640314317e-06,3.8900587915150036e-07,-3.268387973480343e-07,7.795075097290858e-07,2.06,4.3900001690080535,4.389999228383417,4.389998597936854,4.390000324562986,4.390000639343869,4.389999389490427,4.389998661691333,4.389999610994118,4.390000326838795,4.389999220492488,second
+280,2.04,94,4.984521951625615e+17,4.13,1.4182774069729414,81.4,Ring,Base,0,1.4490230944889329,0.7386631675642128,3.84,2.680781524408853,1.5215630488177072,0.36234457322656066,-0.7968739023645857,-1.9560923779557318,-3.115310853546881,-4.274529329138028,-5.433747804729172,-6.592966280320322,-7.7521847559114665,1.41,1.41,1.41,1.41,1.41,1.41,1.41,1.41,1.41,1.41,1.41,2.82,3.9792184755911464,5.1384369511822925,6.297655426773439,7.456873902364585,8.61609237795573,9.77531085354688,10.934529329138027,12.09374780472917,13.252966280320322,14.412184755911465,zero
+276,13.04,100,1.6105497129486656e+17,4.78,1.5644405465033646,71.9,Linear,Base,0,0.0190851857869132,0.012107537259271769,7.63,3.0370529179810664,2.2371383366309248,1.8545453211490595,1.616951972284581,1.4539610152526716,1.3304361800559243,1.2343920884236232,1.1572736378672068,1.0924861176303908,1.0372517471482914,2.57,2.57,2.57,2.57,2.57,2.57,2.57,2.57,2.57,2.57,2.57,1.3,2.830982360672978,3.097620554456358,3.22515155961698,3.3043493425718062,3.3586796615824426,3.399854606648025,3.431869303858792,3.4575754540442647,3.479171294123203,3.4975827509505697,third
+274,1.98,94,4.125872106086e+17,1.39,0.3293037471426003,125.7,Unknown,None,1,0.4953994857321197,0.3396420266555762,5.87,2.508825316954014,2.497178496525342,2.49758170027856,2.4974334166804266,2.4966707068524223,2.498135110918888,2.496952176831676,2.497058215126772,2.497864674542857,2.49738835193745,2.15,0.46941265847700686,0.4635892482626708,0.4637908501392796,0.46371670834021295,0.463335353426211,0.46406755545944367,0.46347608841583765,0.4635291075633858,0.4639323372714282,0.46369417596872453,2.53,4.210587341522993,4.216410751737329,4.21620914986072,4.216283291659787,4.216664646573789,4.215932444540557,4.216523911584162,4.2164708924366145,4.216067662728571,4.216305824031275,third
+274,12.47,95,4.708954971262168e+17,3.62,1.2864740258376797,161.8,Unknown,None,1,0.3645189158010061,0.23507460290132667,1.88,1.2425933037105905,1.2302387833625408,1.2293690072141241,1.229817860656952,1.2295344166738047,1.2292310062278975,1.2290441815437545,1.2290667399933861,1.2293412659992697,1.2298670927202981,2.43,2.111296651855296,2.105119391681271,2.1046845036070625,2.1049089303284765,2.1047672083369027,2.1046155031139495,2.104522090771878,2.1045333699966937,2.1046706329996354,2.1049335463601495,4.61,4.928703348144706,4.93488060831873,4.935315496392938,4.9350910696715244,4.935232791663098,4.935384496886051,4.935477909228124,4.935466630003308,4.935329367000366,4.935066453639852,third
+278,12.37,94,4.720034173583007e+17,0.61,-0.4942963218147801,159.9,Branched,Base,0,1.0262064028207667,0.7561951999627753,2.62,1.7990348777433867,0.9780697554867734,0.15710463323015988,-0.6638604890264534,-1.4848256112830673,-2.3057907335396814,-3.1267558557962944,-3.9477209780529083,-4.768686100309521,-5.589651222566135,2.31,2.31,2.31,2.31,2.31,2.31,2.31,2.31,2.31,2.31,2.31,4.73,5.550965122256613,6.371930244513226,7.19289536676984,8.013860489026454,8.834825611283067,9.655790733539682,10.476755855796295,11.297720978052908,12.118686100309521,12.939651222566136,zero
+273,13.56,91,4.0929186091079955e+17,1.22,0.19885085874516517,165.4,Branched,Base,1,1.5843735556494911,1.4172701862564367,7.87,2.4256053526468073,2.4252183686842876,2.4251149408472408,2.425044078634089,2.425011561216153,2.4250110397482665,2.4250280743940653,2.425047746719732,2.4250604578252144,2.426098826787218,3.37,0.6478026763234038,0.647609184342144,0.6475574704236206,0.6475220393170449,0.6475057806080768,0.6475055198741334,0.647514037197033,0.6475238733598665,0.6475302289126078,0.6480494133936094,1.54,4.262197323676598,4.262390815657858,4.262442529576382,4.262477960682956,4.2624942193919235,4.262494480125866,4.262485962802967,4.262476126640133,4.2624697710873924,4.26195058660639,third
+278,11.05,96,1.0896027899108747e+17,4.21,1.43746264769429,76.0,Ring,Base,1,0.09971383835684676,0.06449834706971407,3.11,1.460021342595466,1.2383762738185147,1.17125093502605,1.1473536006608784,1.1383318526701809,1.13537018802716,1.1337702107574301,1.1334564806718541,1.1333546445682376,1.133183225971136,0.08,0.08,0.08,0.08,0.08,0.08,0.08,0.08,0.08,0.08,0.08,1.59,2.1399928858015116,2.2138745753938283,2.2362496883246497,2.244215466446373,2.247222715776606,2.248209937324279,2.248743263080856,2.248847839776048,2.24888178514392,2.248938924676287,third
+272,10.38,94,3.4593225589438234e+17,3.0,1.0986122886681098,128.6,Ring,Acid,0,0.3066634546091272,0.15464130189077338,8.68,8.434669236312699,8.189338472625396,7.944007708938094,7.698676945250792,7.45334618156349,7.208015417876188,6.9626846541888865,6.717353890501585,6.472023126814283,6.22669236312698,4.58,4.58,4.58,4.58,4.58,4.58,4.58,4.58,4.58,4.58,4.58,4.91,5.155330763687302,5.400661527374604,5.645992291061905,5.891323054749207,6.136653818436509,6.381984582123811,6.6273153458111125,6.872646109498414,7.117976873185716,7.363307636873019,zero
+277,10.27,98,3.477469436344132e+17,4.57,1.5195132049061133,73.3,Branched,Base,0,0.11493982403275002,0.05786742088809634,6.43,5.865117740982272,5.349862252870855,4.879803574979192,4.450864659151358,4.059633718944036,3.7029188346132464,3.377716118394987,3.0812097145052335,2.810771799139935,2.5639625804750223,3.81,3.81,3.81,3.81,3.81,3.81,3.81,3.81,3.81,3.81,3.81,1.93,1.93,1.93,1.93,1.93,1.93,1.93,1.93,1.93,1.93,1.93,first
+280,12.41,96,1.5144535266018323e+17,0.79,-0.23572233352106983,137.3,Unknown,Acid,1,0.18646172526526283,0.157935116746318,7.15,1.7720709676725925,1.7552630360906751,1.7533258033238543,1.7536813193504266,1.75503133972065,1.7566399017633083,1.7547113484574919,1.7535857378080926,1.7558300690708535,1.755913855698088,2.37,2.37,2.37,2.37,2.37,2.37,2.37,2.37,2.37,2.37,2.37,4.58,6.372643010775803,6.3782456546364426,6.378891398892049,6.378772893549858,6.378322886759784,6.377786699412231,6.37842955051417,6.37880475406397,6.37805664364305,6.378028714767305,third
+271,3.39,97,8.55659068220627e+16,0.58,-0.5447271754416722,137.9,Unknown,None,1,0.017182795842567898,0.013428580066064354,8.71,8.585338578355724,8.542130388023503,8.526774253533663,8.52126836793574,8.519296765216168,8.518611784561784,8.518334091057945,8.518261832343818,8.518216142999774,8.518210919249633,0.13,0.0676692891778615,0.046065194011751597,0.038387126766831106,0.03563418396786999,0.034648382608084255,0.03430589228089207,0.03416704552897242,0.034130916171908235,0.03410807149988711,0.034105459624815905,3.07,3.1323307108221385,3.153934805988248,3.1616128732331688,3.16436581603213,3.1653516173919156,3.1656941077191076,3.165832954471027,3.1658690838280914,3.1658919285001126,3.165894540375184,third
+277,5.81,98,4.714315990861122e+16,2.22,0.7975071958841882,196.8,Linear,None,0,0.015582096704033661,0.011763744055574614,4.31,4.297534322636773,4.285068645273546,4.272602967910319,4.260137290547092,4.247671613183865,4.2352059358206375,4.222740258457411,4.210274581094184,4.197808903730957,4.18534322636773,3.67,3.67,3.67,3.67,3.67,3.67,3.67,3.67,3.67,3.67,3.67,0.57,0.5824656773632269,0.5949313547264538,0.6073970320896808,0.6198627094529076,0.6323283868161346,0.6447940641793615,0.6572597415425884,0.6697254189058153,0.6821910962690423,0.6946567736322692,zero
+270,9.82,95,4.0875354240304877e+17,4.98,1.6054298910365616,100.0,Unknown,Base,0,0.17058581764081696,0.11866638437486446,7.67,2.9479669486512243,2.579906712049044,2.458942279176122,2.4097606075724363,2.3881745763091615,2.3783874858394385,2.373882453566878,2.3718006212508618,2.3708372327117417,2.3703900336657435,2.65,0.2889834743256123,0.10495335602452201,0.044471139588061134,0.019880303786218186,0.009087288154580746,0.004193742919719112,0.001941226783438919,0.0009003106254308267,0.0004186163558708936,0.000195016832871762,2.78,5.141016525674386,5.325046643975476,5.385528860411937,5.41011969621378,5.420912711845418,5.425806257080279,5.428058773216559,5.429099689374567,5.429581383644127,5.429804983167126,third
+275,1.94,96,1.37200451493619e+17,2.62,0.9631743177730056,67.1,Ring,None,0,0.07981030903423753,0.04689906794524137,9.97,9.90615175277261,9.84230350554522,9.77845525831783,9.71460701109044,9.650758763863049,9.58691051663566,9.52306226940827,9.459214022180879,9.39536577495349,9.331517527726099,0.15,0.15,0.15,0.15,0.15,0.15,0.15,0.15,0.15,0.15,0.15,1.05,1.11384824722739,1.1776964944547803,1.24154474168217,1.3053929889095601,1.3692412361369501,1.4330894833643404,1.4969377305917304,1.5607859778191204,1.6246342250465107,1.688482472273901,zero
+271,6.91,97,2.3020040143578912e+17,3.49,1.2499017362143359,123.9,Ring,None,0,0.04622736610474907,0.02675171816063279,2.53,2.131129861642503,1.841127930482695,1.6196605538661952,1.4468637500487789,1.3090105728443477,1.1943393775074056,1.0973040875532911,1.0149848657731744,0.9442765500860506,0.8827230231724065,1.12,1.12,1.12,1.12,1.12,1.12,1.12,1.12,1.12,1.12,1.12,1.83,2.0294350691787484,2.174436034758652,2.285169723066902,2.37156812497561,2.440494713577826,2.4978303112462967,2.546347956223354,2.5875075671134127,2.6228617249569743,2.6536384884137965,second
+270,12.88,90,1.526911772157453e+17,4.04,1.3962446919730587,173.3,Linear,Acid,1,0.5910693235464572,0.3507081500573243,9.49,2.146995328972754,2.107745973601703,2.1064345801564843,2.106810110662507,2.106258153780542,2.1085584487330506,2.1095876324754212,2.1061898661116194,2.1071296551704015,2.1084976056634828,2.58,2.58,2.58,2.58,2.58,2.58,2.58,2.58,2.58,2.58,2.58,3.79,7.4615023355136225,7.481127013199148,7.481782709921758,7.481594944668747,7.48187092310973,7.4807207756334755,7.480206183762291,7.481905066944192,7.481435172414801,7.48075119716826,second
+271,8.34,93,4.470244813663532e+17,2.25,0.8109302162163288,191.8,Linear,Base,0,0.5298381468589323,0.46591504867349476,8.35,1.0365093898743072,0.5525826500990595,0.37670763407955954,0.2857202300859416,0.2303874321719003,0.1926992258767861,0.1657830859013686,0.14549720720828085,0.1295212069003805,0.11671001673324802,0.38,0.38,0.38,0.38,0.38,0.38,0.38,0.38,0.38,0.38,0.38,0.36,4.016745305062846,4.25870867495047,4.346646182960221,4.39213988495703,4.41980628391405,4.438650387061607,4.452108457049316,4.462251396395859,4.470239396549809,4.476644991633376,second
+271,9.55,100,1.8592261596439792e+17,3.49,1.2499017362143359,131.1,Ring,Base,0,0.00985964236660254,0.006864434137607389,5.62,5.6121122861067185,5.604224572213436,5.5963368583201545,5.588449144426872,5.5805614305335896,5.572673716640308,5.5647860027470255,5.556898288853744,5.5490105749604615,5.54112286106718,1.6,1.6,1.6,1.6,1.6,1.6,1.6,1.6,1.6,1.6,1.6,3.64,3.647887713893282,3.6557754277865646,3.6636631416798466,3.6715508555731287,3.6794385694664102,3.6873262833596923,3.6952139972529743,3.7031017111462563,3.7109894250395383,3.7188771389328203,zero
+273,5.78,90,4.711140308035141e+17,4.05,1.3987168811184478,118.1,Branched,Enzyme,0,2.833303535145229,1.9583454298126661,6.27,0.6515659691398811,0.06761935311453812,0.007027509885010601,0.0007313029535952632,7.621299096181268e-05,7.831411809041921e-06,9.56976640784999e-07,1.1024287293651415e-07,-3.7383307600069313e-07,4.541960618589773e-07,2.75,2.75,2.75,2.75,2.75,2.75,2.75,2.75,2.75,2.75,2.75,3.94,3.94,3.94,3.94,3.94,3.94,3.94,3.94,3.94,3.94,3.94,first
+270,5.08,95,3.880805123080391e+17,3.52,1.2584609896100056,85.2,Branched,None,0,0.16195830649770096,0.12813612557105658,5.4,4.743768046903246,4.1672891352370875,3.660290165422181,3.213980255649664,2.8221032326422706,2.478713108280049,2.178118639676721,1.9148833291796827,1.683825424370006,1.480017918062436,0.52,0.52,0.52,0.52,0.52,0.52,0.52,0.52,0.52,0.52,0.52,4.76,4.76,4.76,4.76,4.76,4.76,4.76,4.76,4.76,4.76,4.76,first
+272,5.13,94,3.389842277808146e+17,3.93,1.3686394258811698,162.7,Branched,Acid,0,0.30050413795760755,0.2296337480076991,4.15,1.387265754116011,0.833735835040388,0.5955194004205904,0.4634095809947919,0.37930753397060535,0.3210039530530515,0.2780632238615969,0.24559008282698833,0.2197444177038315,0.19874632830930908,2.56,2.56,2.56,2.56,2.56,2.56,2.56,2.56,2.56,2.56,2.56,0.76,2.1413671229419946,2.4181320824798056,2.5372402997897043,2.603295209502604,2.645346233014697,2.6744980234734737,2.695968388069201,2.712204958586505,2.7251277911480836,2.735626835845345,second
+274,10.19,91,2.62515039519519e+17,3.54,1.264126727145683,158.7,Linear,Base,1,1.176323441830074,0.9039775227788138,4.69,3.174164141736556,2.88761696182481,2.8333994288759037,2.822796576405546,2.820357861034059,2.8205479923852654,2.8196040185733082,2.8211250708207523,2.8195861197848546,2.821139959737451,3.53,3.53,3.53,3.53,3.53,3.53,3.53,3.53,3.53,3.53,3.53,1.8,3.315835858263444,3.6023830381751902,3.6566005711240965,3.6672034235944544,3.669642138965941,3.669452007614735,3.670395981426692,3.668874929179248,3.6704138802151456,3.6688600402625493,first
+276,8.36,99,4.406155343619551e+17,4.83,1.5748464676644813,185.3,Unknown,None,0,0.08073183784981418,0.06233928206155784,2.21,2.150908435255627,2.100774542350835,2.057878409871149,2.0209799502797634,1.9892519569108256,1.9619248221892045,1.938281941056818,1.9176597109726337,1.899457718987235,1.8834224748181612,0.45,0.3909084352556267,0.34077454235083493,0.29787840987114916,0.26097995027976323,0.22925195691082545,0.2019248221892043,0.17828194105681777,0.15765971097263343,0.1394577189872348,0.12342247481816095,4.76,4.819091564744373,4.869225457649165,4.9121215901288515,4.949020049720238,4.980748043089175,5.008075177810796,5.0317180589431825,5.052340289027367,5.0705422810127665,5.08657752518184,second
+270,12.67,97,2.2188473648975942e+17,1.66,0.5068176023684519,76.6,Branched,Base,0,0.03799020055012071,0.026344282922910873,6.29,4.54975042118243,3.577023731103113,2.9390736577947196,2.495333304497598,2.1660405013410404,1.9160412119933978,1.7175967145988607,1.5551593934560073,1.4209538370921198,1.3080621988523526,1.76,1.76,1.76,1.76,1.76,1.76,1.76,1.76,1.76,1.76,1.76,4.7,5.570124789408785,6.056488134448443,6.3754631711026395,6.5973333477512,6.7619797493294795,6.8869793940033,6.9862016427005695,7.067420303271996,7.134523081453939,7.190968900573823,second
+270,10.68,92,1.3793536643258693e+17,1.94,0.6626879730752367,106.6,Unknown,Base,1,0.21905989529273015,0.13958112429341474,3.33,3.174759555010879,3.1064387549777583,3.0740504297269493,3.058685017306968,3.0517728726996447,3.048221546988092,3.0467222043366267,3.045996257792837,3.0455829150886515,3.045430648937473,0.88,0.7247595550108787,0.6564387549777583,0.6240504297269491,0.6086850173069679,0.6017728726996446,0.5982215469880923,0.5967222043366269,0.5959962577928374,0.5955829150886518,0.5954306489374736,2.56,2.715240444989121,2.783561245022242,2.815949570273051,2.831314982693032,2.8382271273003554,2.841778453011908,2.8432777956633735,2.844003742207163,2.8444170849113486,2.844569351062527,second
+275,12.45,97,2.439728871991577e+17,4.25,1.4469189829363254,43.8,Branched,Enzyme,0,0.0916418846235484,0.05626696576333542,9.01,8.936686492301162,8.863372984602323,8.790059476903485,8.716745969204647,8.643432461505808,8.570118953806968,8.49680544610813,8.423491938409292,8.350178430710454,8.276864923011614,4.09,4.09,4.09,4.09,4.09,4.09,4.09,4.09,4.09,4.09,4.09,4.98,5.05331350769884,5.126627015397678,5.199940523096517,5.273254030795355,5.346567538494194,5.419881046193034,5.493194553891872,5.56650806159071,5.639821569289549,5.7131350769883875,zero
+277,2.95,98,3.591053741364123e+17,3.77,1.3270750014599193,24.2,Branched,Base,1,0.1186940942774959,0.10191604132013955,4.24,3.787804480337556,3.52757797051291,3.3704765196601025,3.2716733141465544,3.2091955009887085,3.168455144950743,3.142140148441293,3.1249985447789577,3.1136079046829654,3.1061557459787705,1.57,1.1178044803375558,0.85757797051291,0.7004765196601025,0.6016733141465543,0.5391955009887086,0.49845514495074333,0.47214014844129276,0.4549985447789577,0.4436079046829653,0.4361557459787707,0.37,0.8221955196624443,1.08242202948709,1.2395234803398973,1.3383266858534457,1.4008044990112913,1.4415448550492564,1.4678598515587071,1.4850014552210422,1.4963920953170347,1.5038442540212291,second
+278,6.46,96,3.7024071231675885e+17,2.66,0.9783261227936078,50.2,Ring,Acid,0,0.3388218429956191,0.24173464620921933,6.2,1.4253911827666061,0.8051773138028416,0.5610094605755536,0.4307014064048461,0.34945509745229597,0.29399413767614824,0.25357124883990473,0.22323183412413766,0.19919533029624306,0.179781840851986,2.53,2.53,2.53,2.53,2.53,2.53,2.53,2.53,2.53,2.53,2.53,2.2,4.587304408616698,4.897411343098581,5.019495269712224,5.084649296797578,5.125272451273853,5.153002931161927,5.173214375580049,5.188384082937932,5.20040233485188,5.210109079574008,second
+270,7.14,92,4.221568558481526e+17,3.41,1.2267122912954254,170.3,Unknown,None,1,0.6704418093121971,0.5898381043593441,1.85,1.4073864307255464,1.3648944732414519,1.3604311469530812,1.359940421116727,1.36033667312523,1.359150981227051,1.3609287873916474,1.3607099652524857,1.3597636880722905,1.360310800628837,2.45,2.0073864307255462,1.964894473241452,1.9604311469530813,1.959940421116727,1.96033667312523,1.9591509812270511,1.9609287873916474,1.9607099652524858,1.9597636880722906,1.960310800628837,2.54,2.982613569274454,3.0251055267585483,3.029568853046919,3.0300595788832734,3.0296633268747706,3.0308490187729493,3.029071212608353,3.0292900347475147,3.0302363119277103,3.0296891993711634,second
+276,11.02,98,1.3571989500525168e+17,1.19,0.17395330712343798,95.0,Unknown,None,1,0.03844955582102682,0.029383187479215884,8.84,6.1017412124425965,5.624385064576414,5.473490064924138,5.419070504792432,5.398568957160676,5.3907325126056875,5.387673620255864,5.386493152650913,5.386064911007814,5.385882107021563,1.78,0.41087060622129856,0.17219253228820694,0.09674503246206886,0.06953525239621607,0.059284478580338154,0.05536625630284378,0.05383681012793176,0.05324657632545668,0.0530324555039072,0.052941053510781114,0.28,1.6491293937787015,1.887807467711793,1.9632549675379312,1.9904647476037838,2.0007155214196617,2.004633743697156,2.0061631898720678,2.0067534236745432,2.0069675444960926,2.0070589464892183,third
+271,13.08,100,3.1542938769613037e+17,2.95,1.0818051703517284,56.9,Unknown,Acid,0,0.016727502130218515,0.01495440972350716,4.98,2.8881127436770657,2.236114923364938,1.8900669782306814,1.6674746853721825,1.5079305526457776,1.3865691893368361,1.2915709552595003,1.2134377014179845,1.1475010023807377,1.0912655580704909,1.35,1.35,1.35,1.35,1.35,1.35,1.35,1.35,1.35,1.35,1.35,2.74,3.437295752107645,3.654628358878354,3.769977673923106,3.8441751048759394,3.8973564824514075,3.9378102702210547,3.9694763482468334,3.995520766194005,4.017499665873087,4.036244813976503,third
+274,10.91,99,2.8907297215429555e+17,3.74,1.3190856114264407,131.7,Unknown,None,0,0.038656807959830036,0.033145541942941004,5.3,3.9919035225070605,3.2010002931623944,2.673985388899408,2.2938654915629058,2.009974646172533,1.7889378800346856,1.6103438621099486,1.4646287430495224,1.3437473138439144,1.2411437974888735,4.2,4.2,4.2,4.2,4.2,4.2,4.2,4.2,4.2,4.2,4.2,0.34,0.99404823874647,1.3894998534188028,1.653007305550296,1.8430672542185471,1.9850126769137333,2.095531059982657,2.1848280689450252,2.2576856284752385,2.3181263430780428,2.369428101255563,second
+272,1.09,93,1.3113045514118909e+17,4.8,1.5686159179138452,171.4,Linear,Base,0,0.18089251084188826,0.13733873687085912,9.69,4.302672952107589,4.198482378672164,4.190667345315671,4.19005250560774,4.190004644799561,4.190000586170643,4.190000543203589,4.189999026744735,4.189999698761582,4.190001920634404,2.75,0.056336476053794264,0.004241189336081603,0.00033367265783499023,2.62528038697609e-05,2.3223997799589854e-06,2.9308532104273457e-07,2.716017939303704e-07,-4.866276328231662e-07,-1.5061920943074452e-07,9.603172012561385e-07,2.18,4.873663523946207,4.92575881066392,4.929666327342167,4.929973747196132,4.929997677600222,4.929999706914682,4.929999728398209,4.930000486627636,4.930000150619212,4.9299990396828015,third
+271,10.69,92,2.8009565653085725e+17,2.01,0.6981347220709843,71.6,Branched,Enzyme,1,0.5174554910745517,0.4109434220635053,9.44,4.315883332838132,4.31551858059929,4.3157747129317645,4.316000883933248,4.31577864995716,4.31557053013051,4.315633303178437,4.315891828758089,4.315941533811946,4.315761402498507,2.72,0.15794166641906637,0.15775929029964536,0.15788735646588253,0.1580004419666245,0.15788932497858055,0.1577852650652556,0.15781665158921918,0.15794591437904518,0.15797076690597353,0.1578807012492535,1.14,3.7020583335809336,3.7022407097003542,3.702112643534117,3.7019995580333753,3.7021106750214194,3.7022147349347443,3.702183348410781,3.7020540856209547,3.7020292330940263,3.702119298750746,third
+277,12.02,91,2.8122711524880016e+17,1.78,0.5766133643039938,162.3,Branched,Base,0,1.9423210925785388,1.0609275722174358,4.37,1.8854121572273865,1.8237543808108556,1.8202219478345774,1.8200133720530636,1.8200006907578892,1.8199998685481251,1.8199993412872522,1.8200011531536564,1.8200006843500443,1.8200001638895,2.55,0.0654121572273864,0.0037543808108554374,0.00022194783457681668,1.3372053062969397e-05,6.907578884584578e-07,-1.314518756274883e-07,-6.587127484368562e-07,1.1531536556577333e-06,6.843500434535981e-07,1.6388949925412095e-07,1.75,4.234587842772613,4.296245619189144,4.299778052165423,4.299986627946938,4.2999993092421125,4.300000131451876,4.300000658712749,4.2999988468463455,4.299999315649957,4.299999836110501,second
+276,6.2,93,9.00312582873177e+16,3.05,1.1151415906193203,28.6,Unknown,None,1,0.22540057477287456,0.1487454776958836,3.93,3.3844021330380616,2.9796697770494562,2.6794492930867695,2.457938300495613,2.293289884365137,2.1706667674666966,2.0803757480414835,2.013663071539758,1.963775223169027,1.9268053623301935,1.66,1.66,1.66,1.66,1.66,1.66,1.66,1.66,1.66,1.66,1.66,0.65,1.1955978669619385,1.6003302229505438,1.9005507069132306,2.1220616995043873,2.2867101156348633,2.4093332325333034,2.4996242519585166,2.566336928460242,2.616224776830973,2.653194637669807,first
+275,3.2,93,3.0525239077583616e+17,2.55,0.9360933591703348,88.4,Ring,Enzyme,0,0.6595011286537718,0.5429767550710335,7.84,0.8483567524769211,0.4481933282816418,0.30463438402474396,0.2309252088650791,0.1856799237601463,0.15548389865774742,0.13351978110520277,0.11715020936498391,0.10435001024009422,0.09399971037128677,0.74,0.74,0.74,0.74,0.74,0.74,0.74,0.74,0.74,0.74,0.74,4.32,7.81582162376154,8.01590333585918,8.087682807987628,8.12453739556746,8.147160038119926,8.162258050671126,8.173240109447399,8.181424895317507,8.187824994879952,8.193000144814356,second
+275,8.33,91,8.98032722687234e+16,1.49,0.3987761199573678,37.7,Branched,Base,1,0.4653188459559616,0.27787986298046685,1.05,0.5630581486739485,0.5449472014947188,0.5439017612505093,0.5439262963183088,0.5439296710444899,0.5435610730284056,0.5435668788737706,0.543489675295371,0.5438224977957377,0.5444656121527577,3.43,3.1865290743369745,3.1774736007473594,3.1769508806252547,3.1769631481591545,3.176964835522245,3.176780536514203,3.176783439436885,3.1767448376476852,3.1769112488978686,3.1772328060763786,1.32,1.5634709256630257,1.5725263992526406,1.5730491193747451,1.5730368518408453,1.5730351644777547,1.573219463485797,1.5732165605631143,1.573255162352314,1.5730887511021308,1.5727671939236207,third
+272,8.44,93,4.3688567702217574e+17,5.0,1.6094379124341003,73.2,Branched,Base,1,0.6026772879138425,0.43611613121460924,1.47,0.7492707160934119,0.6475346664289408,0.6272461272821734,0.6229968228642399,0.6219445035670752,0.6217326289184466,0.6217709151995284,0.6215913331867166,0.6215697831883576,0.6220807402083824,0.31,0.31,0.31,0.31,0.31,0.31,0.31,0.31,0.31,0.31,0.31,0.11,0.470364641953294,0.5212326667855296,0.5313769363589133,0.5335015885678801,0.5340277482164624,0.5341336855407767,0.5341145424002357,0.5342043334066418,0.5342151084058212,0.5339596298958088,second
+272,10.26,96,2.6820601686009533e+17,3.35,1.208960345836975,185.1,Branched,Enzyme,0,0.09818550407782099,0.08079209636856582,4.8,3.5086866814455915,3.201558333481581,3.082575697508701,3.0294176488404445,3.004220627392051,2.991955765713164,2.985932705144807,2.982953506589054,2.9814688495405184,2.9807319127933845,0.91,0.2643433407227961,0.11077916674079069,0.051287848754350704,0.024708824420222597,0.01211031369602579,0.005977882856582207,0.0029663525724038034,0.0014767532945272953,0.0007344247702594524,0.00036595639669256114,1.86,2.505656659277204,2.659220833259209,2.718712151245649,2.7452911755797773,2.757889686303974,2.764022117143418,2.767033647427596,2.7685232467054726,2.7692655752297406,2.769634043603307,third
+279,8.27,99,4.2607626104818246e+17,2.57,0.9439058989071284,166.3,Branched,Acid,1,0.12414969355526675,0.07064884453544311,2.11,1.7715571417076774,1.6200359001756743,1.5412802773461463,1.5006940299095552,1.4798824827305472,1.4689261744547408,1.4627546895210928,1.46011131876091,1.4583801959966496,1.4574055189348847,0.54,0.54,0.54,0.54,0.54,0.54,0.54,0.54,0.54,0.54,0.54,3.4,3.569221429146161,3.644982049912163,3.684359861326927,3.7046529850452226,3.7150587586347266,3.72053691277263,3.723622655239454,3.7249443406195453,3.7258099020016755,3.726297240532558,second
+275,3.01,93,3.750445743287371e+17,0.61,-0.4942963218147801,179.7,Ring,Enzyme,1,0.8102879044996989,0.42609506504042194,2.97,2.5120455732312434,2.512061374422232,2.5122144157193933,2.512648882290895,2.5124909899876102,2.5120514046525275,2.5121114579897226,2.5114087475715574,2.510997687902191,2.5119441828822495,0.62,0.3910227866156216,0.3910306872111158,0.39110720785969644,0.3913244411454472,0.3912454949938047,0.3910257023262634,0.39105572899486096,0.39070437378577827,0.390498843951095,0.3909720914411241,4.46,4.688977213384378,4.688969312788884,4.688892792140304,4.688675558854554,4.688754505006196,4.688974297673738,4.68894427100514,4.689295626214223,4.689501156048906,4.689027908558877,third
+274,7.92,98,2.431850548511606e+17,2.45,0.8960880245566357,39.9,Ring,Acid,0,0.050442852909293096,0.030878885235122163,5.28,5.239645717672566,5.199291435345131,5.158937153017697,5.118582870690263,5.078228588362828,5.037874306035394,4.997520023707959,4.957165741380525,4.91681145905309,4.876457176725656,3.29,3.29,3.29,3.29,3.29,3.29,3.29,3.29,3.29,3.29,3.29,2.53,2.5703542823274343,2.610708564654869,2.6510628469823034,2.6914171293097375,2.731771411637172,2.7721256939646066,2.812479976292041,2.8528342586194757,2.8931885409469102,2.933542823274345,zero
+275,5.51,99,3.0464373687056092e+16,3.69,1.3056264580524357,107.1,Unknown,Enzyme,1,0.004771365529976071,0.002946487243906942,6.64,5.90654892154185,5.391758298959213,5.003727375765059,4.702213398773824,4.460179115780935,4.257380941200282,4.085817360036284,3.939430359090884,3.8128600749068395,3.7018949599489455,2.71,2.3432744607709246,2.0858791494796067,1.8918636878825295,1.7411066993869122,1.6200895578904677,1.518690470600141,1.4329086800181423,1.359715179545442,1.29643003745342,1.2409474799744729,3.95,4.316725539229075,4.574120850520393,4.76813631211747,4.918893300613087,5.039910442109532,5.141309529399859,5.227091319981858,5.300284820454557,5.363569962546579,5.419052520025527,third
+276,8.64,94,8.129584042266984e+16,1.77,0.5709795465857378,124.5,Branched,Enzyme,1,0.1316337479296316,0.08257115985362731,3.7,3.0863815404021757,2.767080884044751,2.582445431044632,2.4731856994385284,2.4070565690380072,2.3667764442289085,2.341107453272071,2.325701262890734,2.315971271882497,2.3096797868935783,2.88,2.2663815404021754,1.9470808840447507,1.7624454310446316,1.6531856994385281,1.5870565690380074,1.5467764442289085,1.521107453272071,1.505701262890734,1.4959712718824973,1.4896797868935785,4.02,4.633618459597824,4.952919115955249,5.137554568955368,5.246814300561471,5.312943430961992,5.353223555771091,5.378892546727929,5.394298737109266,5.404028728117503,5.410320213106421,second
+271,3.07,98,2.513763343302185e+17,3.07,1.1216775615991057,72.7,Linear,Acid,0,0.03238640563245912,0.024137140751802177,1.02,0.9244623260292595,0.8468660266020992,0.7822172574070386,0.7277331804951634,0.6812715673066068,0.6409905637732932,0.6053558929353978,0.5736040457314813,0.5452513344420895,0.5197561314486318,1.98,1.9322311630146298,1.8934330133010495,1.8611086287035192,1.8338665902475815,1.8106357836533031,1.7904952818866464,1.7726779464676987,1.7568020228657404,1.7426256672210447,1.7298780657243158,0.13,0.1777688369853703,0.21656698669895047,0.24889137129648076,0.27613340975241835,0.29936421634669674,0.31950471811335346,0.3373220535323011,0.3531979771342594,0.36737433277895526,0.38012193427568414,third
+278,11.97,93,2.7273543766272954e+17,1.86,0.62057648772511,59.0,Ring,Enzyme,1,0.9139708045715665,0.6614328541466321,9.62,1.5981069102006884,1.5976346461102675,1.5962522226705473,1.5957877672792273,1.596225889298546,1.5973572796956723,1.5984800361645355,1.5978374817318048,1.5962850897747605,1.597136771554272,0.92,0.92,0.92,0.92,0.92,0.92,0.92,0.92,0.92,0.92,0.92,2.95,5.623964363266436,5.624121784629909,5.62458259244315,5.624737410906923,5.6245913702338175,5.624214240101442,5.623839987945154,5.624054172756064,5.624571636741745,5.624287742815241,third
+278,11.45,98,3.89151060851568e+17,2.89,1.0612565021243408,43.0,Linear,Enzyme,1,0.14990050532647486,0.11035535415312417,9.67,8.42076813951938,8.063165139966063,7.949661856969677,7.91239501786832,7.900116442311993,7.895871744387976,7.894467335194593,7.8940581180493075,7.893916650193853,7.893829922448544,2.3,1.0507681395193798,0.6931651399660641,0.5796618569696774,0.5423950178683207,0.5301164423119934,0.5258717443879759,0.5244673351945925,0.5240581180493068,0.5239166501938533,0.523829922448544,3.84,5.08923186048062,5.446834860033936,5.560338143030322,5.597604982131679,5.609883557688006,5.614128255612023,5.615532664805406,5.615941881950691,5.6160833498061455,5.6161700775514545,second
+272,4.47,90,2.3245567629054954e+17,2.34,0.85015092936961,47.1,Ring,Acid,0,1.2083572013023016,1.0694886286466403,4.08,3.113314238958159,2.146628477916318,1.1799427168744758,0.2132569558326356,-0.7534288052092055,-1.7201145662510475,-2.6868003272928895,-3.65348608833473,-4.620171849376572,-5.586857610418411,4.77,4.77,4.77,4.77,4.77,4.77,4.77,4.77,4.77,4.77,4.77,0.03,0.9966857610418414,1.9633715220836827,2.9300572831255245,3.8967430441673647,4.863428805209206,5.830114566251048,6.79680032729289,7.76348608833473,8.730171849376571,9.696857610418412,zero
+272,2.34,94,3.9960225564345344e+17,0.75,-0.2876820724517809,183.0,Unknown,Acid,0,0.3542410575978065,0.2649333545822408,9.57,0.765763710696987,0.5425153627504313,0.44304031051382264,0.38405350451494463,0.34332415327203497,0.3136668138444597,0.29037925016667987,0.2715544884381148,0.25603137322699066,0.24288931777288486,3.58,3.58,3.58,3.58,3.58,3.58,3.58,3.58,3.58,3.58,3.58,3.64,6.5747454297676695,6.649161545749855,6.682319896495391,6.701982165161684,6.715558615575987,6.725444395385179,6.733206916611106,6.739481837187294,6.744656208924336,6.749036894075704,third
+272,9.13,91,2.224391432483451e+17,1.39,0.3293037471426003,57.9,Linear,None,1,0.7430539362242227,0.5196323118981405,2.62,1.8280870544189383,1.8220194617570031,1.8210212612228953,1.8240692561162464,1.8214657889458232,1.8240321203329575,1.8223471064497425,1.8228766155024274,1.8245343493727528,1.822683863884556,3.94,3.94,3.94,3.94,3.94,3.94,3.94,3.94,3.94,3.94,3.94,4.35,4.74595647279053,4.7489902691214985,4.749489369388551,4.747965371941875,4.749267105527088,4.747983939833521,4.748826446775129,4.748561692248786,4.747732825313624,4.748658068057722,second
+273,13.69,94,4.272169700002012e+17,4.26,1.449269160281279,118.8,Unknown,Acid,0,0.4410067204158684,0.3369853405741016,2.26,0.3313820881999937,0.18453125629497574,0.12831718717196286,0.09843074258363833,0.08001549355448172,0.06730522576743464,0.05818297436043546,0.05122056747258205,0.04572749863923585,0.04130297498593168,4.43,3.4656910440999966,3.3922656281474874,3.3641585935859815,3.3492153712918187,3.3400077467772404,3.333652612883717,3.3290914871802175,3.3256102837362906,3.322863749319618,3.3206514874929653,4.89,5.854308955900003,5.927734371852512,5.955841406414019,5.970784628708182,5.97999225322276,5.986347387116283,5.990908512819783,5.99438971626371,5.997136250680383,5.999348512507035,third
+272,1.49,92,8.654581018009203e+16,3.16,1.1505720275988207,121.6,Ring,Acid,0,0.18578434674800093,0.13287531808557304,2.52,2.1719609798887034,1.8719939600536093,1.613061858537663,1.3894416885326897,1.1969771519979664,1.031714587829962,0.889885518288595,0.7679066489972299,0.6623798689426821,0.5708997962141289,3.65,3.65,3.65,3.65,3.65,3.65,3.65,3.65,3.65,3.65,3.65,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,first
+273,12.63,100,2.2920429966409024e+17,3.27,1.184789984909162,45.7,Linear,Enzyme,0,0.016825343658723554,0.009980765142713162,6.24,6.236778345631538,6.2338175795848905,6.231096125363327,6.228593978925829,6.226294033920946,6.224180298611307,6.222237728493773,6.220452226299439,6.21881064199363,6.217300772775905,0.04,0.03677834563153737,0.033817579584890074,0.031096125363326173,0.028593978925829072,0.026294033920945804,0.024180298611306314,0.022237728493772563,0.020452226299438513,0.018810641993630133,0.01730077277590541,1.11,1.1132216543684625,1.1161824204151098,1.1189038746366737,1.121406021074171,1.1237059660790543,1.1258197013886937,1.1277622715062274,1.1295477737005615,1.1311893580063699,1.1326992272240946,second
+275,4.97,100,1.73158355829239e+17,0.89,-0.11653381625595151,144.4,Linear,Acid,1,0.017512287664631386,0.008785012866015107,8.12,4.7060664802238215,3.6476730843877903,3.092322740608883,2.7447645959972267,2.502613398776664,2.3266421405606934,2.1907262208650837,2.0839469110968785,1.998907899392788,1.9294841923620558,4.32,2.6130332401119114,2.0838365421938954,1.8061613703044421,1.6323822979986138,1.5113066993883324,1.4233210702803472,1.3553631104325423,1.3019734555484397,1.2594539496963946,1.2247420961810285,1.49,3.196966759888088,3.7261634578061043,4.003838629695558,4.1776177020013865,4.298693300611668,4.386678929719653,4.454636889567458,4.50802654445156,4.5505460503036055,4.585257903818972,third
+276,3.04,96,3.353410716179711e+17,2.01,0.6981347220709843,160.1,Linear,Acid,0,0.2271224763815524,0.12694984887119512,9.02,6.927728363972109,6.446046785598335,6.304991704620637,6.260808959985385,6.24668692576932,6.242151498050225,6.240692659481554,6.240223048430423,6.240071787995894,6.24002336143383,2.78,0.6877283639721092,0.20604678559833592,0.06499170462063839,0.020808959985385837,0.006686925769320758,0.0021514980502252475,0.0006926594815551245,0.00022304843042304974,7.178799589438947e-05,2.3361433830032745e-05,0.21,2.3022716360278905,2.783953214401664,2.9250082953793615,2.969191040014614,2.9833130742306793,2.987848501949775,2.989307340518445,2.9897769515695773,2.9899282120041057,2.98997663856617,second
+276,5.5,93,7.135712157815858e+16,4.7,1.547562508716013,144.4,Ring,Base,0,0.1786483552915144,0.09257160841348648,8.12,1.073132554669591,0.7622186092787546,0.6232193107355928,0.539738770813682,0.48327415124870987,0.44117337633195547,0.40836199769713954,0.3822157501923371,0.3605389526702484,0.3419839282362883,0.11,0.11,0.11,0.11,0.11,0.11,0.11,0.11,0.11,0.11,0.11,2.99,5.338955815110135,5.442593796907081,5.488926896421468,5.516753743062106,5.535575282917096,5.549608874556014,5.560546000767619,5.569261416602553,5.576487015776583,5.582672023921236,third
+271,10.38,90,3.087036667054783e+17,1.45,0.371563556432483,85.8,Branched,Base,0,1.3855360650462383,1.1402859701750683,3.07,0.39441625894470067,0.21098069441129624,0.14394234681087142,0.10913290012469064,0.08799449229780193,0.07362751425430725,0.06339517169733083,0.05558102387710671,0.049491738322635724,0.044608602232593206,0.15,0.15,0.15,0.15,0.15,0.15,0.15,0.15,0.15,0.15,0.15,4.69,6.027791870527649,6.119509652794351,6.153028826594564,6.170433549937655,6.181002753851098,6.188186242872845,6.193302414151334,6.197209488061446,6.200254130838682,6.202695698883703,second
+276,13.26,95,3.778721978839872e+17,1.2,0.1823215567939546,44.9,Linear,None,0,0.3957136980166546,0.32770519397186004,4.35,0.7184754435895739,0.5111421113348318,0.41825561897646435,0.3623069915985171,0.32449713920708606,0.2962183165210174,0.27423876096895183,0.25671700830092253,0.24213842595230803,0.2296864177517903,2.54,2.54,2.54,2.54,2.54,2.54,2.54,2.54,2.54,2.54,2.54,4.96,6.170508185470142,6.239619296221723,6.2705814603411785,6.289231002800494,6.301834286930972,6.311260561159662,6.318587079677017,6.3244276638996935,6.3292871913492315,6.333437860749404,third
+278,11.83,91,1.8361514172655e+17,2.14,0.7608058290337602,134.2,Unknown,None,1,1.461845897843564,1.0767339205116058,7.07,6.0945509474168995,6.094592590697254,6.094524904916058,6.094608253002046,6.094589472099211,6.0945233530216045,6.094649661400947,6.094564092060073,6.094532522604388,6.094638814574369,0.52,0.03227547370844918,0.03229629534862635,0.032262452458028265,0.032304126501021824,0.032294736049605206,0.032261676510801474,0.032324830700472165,0.03228204603003511,0.03226626130219248,0.032319407287182474,1.14,1.6277245262915505,1.6277037046513734,1.6277375475419715,1.627695873498978,1.6277052639503946,1.627738323489198,1.6276751692995273,1.6277179539699647,1.6277337386978075,1.6276805927128175,third
+271,9.83,90,1.9827210523974736e+17,2.75,1.0116009116784799,66.9,Linear,Base,1,0.8898927422342733,0.5294570427940671,5.06,1.1538511648112568,1.1512652455854575,1.1527364319222724,1.1524237834421074,1.1536414965149386,1.1546372888633152,1.1527092597734656,1.1519223554332503,1.1525998730539406,1.1531761922401236,3.75,1.7969255824056285,1.7956326227927286,1.7963682159611363,1.7962118917210537,1.7968207482574694,1.7973186444316578,1.7963546298867328,1.795961177716625,1.79629993652697,1.7965880961200615,2.06,4.01307441759437,4.014367377207271,4.013631784038863,4.013788108278947,4.013179251742531,4.0126813555683425,4.0136453701132675,4.014038822283375,4.01370006347303,4.0134119038799385,third
+274,7.27,94,2.625994346989071e+17,1.25,0.22314355131420976,43.3,Ring,Enzyme,0,0.3153069740370481,0.22734200901956755,6.76,6.700000490152547,6.700001106366841,6.699999642362417,6.69999997863121,6.700003829244276,6.699998557562813,6.700001967780872,6.6999999181840995,6.7000003717282555,6.7000007621963364,0.03,2.4507627381717885e-07,5.531834205207303e-07,-1.7881879133723533e-07,-1.0684394572140148e-08,1.9146221385963564e-06,-7.212185928058212e-07,9.838904368859948e-07,-4.090794862018877e-08,1.858641292510397e-07,3.8109816933161723e-07,0.03,0.05999975492372617,0.05999944681657947,0.06000017881879132,0.060000010684394554,0.05999808537786139,0.06000072121859279,0.059999016109563104,0.06000004090794861,0.05999981413587074,0.059999618901830656,third
+278,8.4,96,4.92006420579259e+17,2.37,0.8628899551470398,190.3,Ring,Base,1,0.4502544335095168,0.25020257139380825,3.7,1.3590383591340915,1.1693418647321003,1.1415145247969785,1.1370091299765672,1.1360010893439016,1.135780169970209,1.1360652835098786,1.1354924153207426,1.1361270652145834,1.1364781683982363,4.02,4.02,4.02,4.02,4.02,4.02,4.02,4.02,4.02,4.02,4.02,1.04,2.2104808204329545,2.30532906763395,2.3192427376015106,2.321495435011716,2.321999455328049,2.322109915014895,2.3219673582450606,2.3222537923396285,2.321936467392708,2.3217609158008816,second
+273,10.85,94,3.819715393975327e+17,4.59,1.5238800240724537,113.9,Branched,Base,1,0.3943008534558616,0.3292384648117162,1.45,1.5964477293360957,1.6009374368422986,1.6014057446663157,1.6014603405549603,1.601238084324703,1.6007902985641873,1.59980690561167,1.5993913127914399,1.6002761491334196,1.600208171131987,1.2,1.2732238646680478,1.2754687184211495,1.2757028723331578,1.2757301702774801,1.2756190421623514,1.2753951492820934,1.274903452805835,1.27469565639572,1.2751380745667098,1.2751040855659936,3.99,3.9167761353319523,3.9145312815788507,3.9142971276668423,3.9142698297225196,3.9143809578376483,3.914604850717906,3.9150965471941648,3.91530434360428,3.91486192543329,3.9148959144340068,third
+278,1.56,94,2.3045348833405955e+17,4.81,1.5706970841176697,130.5,Unknown,Enzyme,0,0.5010405361138935,0.318541110920966,2.83,1.8952736070371712,1.269386269887406,0.8493055545550644,0.5699957417214727,0.3816085272905821,0.25569856250333434,0.1714471372426897,0.11474175942304356,0.07699730347795228,0.0515734326510868,2.03,2.03,2.03,2.03,2.03,2.03,2.03,2.03,2.03,2.03,2.03,1.79,1.79,1.79,1.79,1.79,1.79,1.79,1.79,1.79,1.79,1.79,first
+270,7.13,98,2.9704519302269395e+17,4.98,1.6054298910365616,91.6,Branched,Base,1,0.0325760235275084,0.02882571327640163,3.93,3.0987581455983477,2.708295067767938,2.483846292191574,2.343083629929299,2.2513058112123097,2.1875242973945848,2.1437922067856605,2.1131342819509076,2.090751061558957,2.074695429926997,1.81,1.3943790727991738,1.199147533883969,1.0869231460957869,1.0165418149646495,0.9706529056061548,0.9387621486972922,0.9168961033928301,0.9015671409754538,0.8903755307794785,0.8823477149634985,3.07,3.4856209272008263,3.680852466116031,3.7930768539042132,3.8634581850353507,3.909347094393845,3.941237851302708,3.96310389660717,3.9784328590245464,3.9896244692205216,3.997652285036502,third
+270,10.28,93,1.2529515512881378e+17,0.62,-0.4780358009429998,66.6,Branched,Acid,1,0.1274538339471335,0.09650085046605061,4.39,1.4043952880039556,1.2113893556643658,1.1667927802125164,1.1546780060404398,1.1514436452655725,1.1507861596110442,1.1501894334800327,1.1503575842918723,1.1504059544152974,1.1502878337028497,0.37,0.37,0.37,0.37,0.37,0.37,0.37,0.37,0.37,0.37,0.37,0.93,1.9252015706653476,1.9895368814452108,2.004402406595827,2.008440664653186,2.0095187849114753,2.009737946796318,2.0099368555066555,2.009880805236042,2.009864681861567,2.009904055432383,third
+271,5.15,98,3.4151783614864896e+16,4.53,1.5107219394949427,114.5,Unknown,None,0,0.0043999906362308045,0.002831906655312985,1.92,1.913253495171838,1.906530696243361,1.8998315199169005,1.8931558831869582,1.8865037033388095,1.8798748979507263,1.8732693848908,1.8666870823140203,1.8601279086622753,1.8535917826643509,0.35,0.35,0.35,0.35,0.35,0.35,0.35,0.35,0.35,0.35,0.35,1.17,1.1767465048281618,1.1834693037566388,1.1901684800830994,1.1968441168130417,1.2034962966611904,1.2101251020492736,1.2167306151091999,1.2233129176859796,1.2298720913377246,1.236408217335649,first
+273,3.84,93,1.970634255258282e+17,2.47,0.9042181506398859,149.3,Branched,None,0,0.3160423832511438,0.27009901581952295,6.79,6.537166093399085,6.28433218679817,6.031498280197255,5.778664373596339,5.525830466995425,5.272996560394509,5.0201626537935935,4.767328747192679,4.514494840591763,4.261660933990848,4.81,4.81,4.81,4.81,4.81,4.81,4.81,4.81,4.81,4.81,4.81,1.08,1.3328339066009152,1.58566781320183,1.8385017198027451,2.0913356264036604,2.344169533004575,2.5970034396054906,2.8498373462064057,3.1026712528073204,3.355505159408236,3.608339066009151,zero
+276,12.68,91,1.5581862850497923e+17,2.22,0.7975071958841882,34.7,Linear,Acid,1,0.9326240948783698,0.7909533942231064,1.72,0.912646039542028,0.9122321695079877,0.912882673530248,0.9132959869475891,0.9121051480245823,0.9128173461369743,0.9129758936658358,0.912480185098304,0.9124079908409674,0.9129215649527238,2.73,2.326323019771014,2.326116084753994,2.3264413367651238,2.3266479934737947,2.3260525740122913,2.326408673068487,2.3264879468329176,2.3262400925491518,2.3262039954204834,2.3264607824763615,1.88,2.283676980228986,2.283883915246006,2.283558663234876,2.283352006526205,2.2839474259877086,2.283591326931513,2.2835120531670823,2.283759907450848,2.2837960045795165,2.2835392175236384,third
+278,6.96,94,3.6724097101639936e+17,3.34,1.205970806988609,150.5,Branched,Base,1,0.7984370917150884,0.5876771161604187,4.88,2.717045608844955,2.660020806650065,2.6583016420870873,2.658416176006628,2.6580740256996744,2.657756676983698,2.6577207715782256,2.6575131280176856,2.657240556434445,2.658256131501007,3.97,1.8070456088449554,1.7500208066500647,1.748301642087087,1.748416176006628,1.7480740256996743,1.747756676983698,1.7477207715782257,1.7475131280176854,1.7472405564344455,1.7482561315010074,4.09,6.252954391155044,6.309979193349935,6.311698357912913,6.311583823993372,6.311925974300325,6.312243323016302,6.312279228421774,6.312486871982315,6.312759443565555,6.3117438684989935,second
+271,7.38,99,2.3517045384660742e+17,1.42,0.35065687161316933,49.1,Unknown,None,0,0.019438663814016363,0.012571666813460038,8.07,7.945474737548507,7.822870979889051,7.70215907651843,7.583309817801008,7.466294475583778,7.351084769122297,7.237652838073445,7.125971242495432,7.016012962847787,6.90775139999137,2.86,2.86,2.86,2.86,2.86,2.86,2.86,2.86,2.86,2.86,2.86,4.32,4.444525262451494,4.56712902011095,4.687840923481571,4.8066901821989925,4.9237055244162224,5.038915230877704,5.1523471619265555,5.264028757504569,5.373987037152213,5.482248600008631,first
+278,8.22,93,3.148092339754175e+16,2.21,0.7929925155296614,194.6,Ring,None,0,0.10549653955085937,0.05650147514490169,3.54,3.2755653813624455,3.088512623346966,2.9514410161398668,2.849595531344014,2.772046665489235,2.7116243028412987,2.664657349794388,2.6278948740481285,2.598675881914245,2.5754017862014202,1.06,0.7955653813624456,0.6085126233469663,0.47144101613986666,0.3695955313440137,0.2920466654892346,0.23162430284129887,0.18465734979438786,0.14789487404812854,0.11867588191424472,0.09540178620142023,4.04,4.304434618637554,4.491487376653033,4.628558983860133,4.730404468655986,4.807953334510765,4.868375697158701,4.915342650205612,4.952105125951871,4.981324118085754,5.004598213798579,second
+277,1.51,91,3.787546296803757e+17,4.22,1.4398351280479205,154.3,Branched,Acid,0,2.615903894932499,1.353899291410191,3.94,0.48666266424239213,0.060126098091955266,0.007428647017790188,0.000918008306300249,0.00011341143511712874,1.4313195268453666e-05,1.8177699663990913e-06,3.396743444073006e-07,1.7938573065454232e-07,5.5273554227168485e-08,2.83,2.83,2.83,2.83,2.83,2.83,2.83,2.83,2.83,2.83,2.83,1.96,5.413337335757609,5.839873901908046,5.892571352982211,5.899081991693701,5.8998865885648835,5.899985686804733,5.899998182230036,5.8999996603256575,5.899999820614272,5.8999999447264475,first
+273,13.17,100,2.755707056045297e+17,1.0,0.0,126.4,Branched,Base,0,0.020228991475588654,0.01711567861575036,2.94,2.923816806819529,2.907633613639058,2.8914504204585874,2.8752672272781163,2.8590840340976453,2.8429008409171743,2.8267176477367038,2.8105344545562327,2.7943512613757617,2.7781680681952907,2.91,2.91,2.91,2.91,2.91,2.91,2.91,2.91,2.91,2.91,2.91,0.4,0.4161831931804709,0.4323663863609419,0.4485495795414128,0.46473277272188374,0.48091596590235464,0.4970991590828256,0.5132823522632965,0.5294655454437674,0.5456487386242383,0.5618319318047093,zero
+276,11.71,91,3.055234767833536e+17,0.73,-0.31471074483970024,104.2,Linear,Enzyme,1,1.8286552688407374,1.171093346118482,6.19,2.5506158257547464,2.5474702791296524,2.5468638234125174,2.5467482047985173,2.5471497632173405,2.5467063459932295,2.5480498004431507,2.5471952556325097,2.548885527782099,2.547841855457796,4.79,1.150615825754747,1.1474702791296532,1.1468638234125181,1.1467482047985182,1.1471497632173413,1.1467063459932305,1.1480498004431516,1.1471952556325102,1.1488855277821002,1.147841855457797,0.92,4.559384174245253,4.562529720870347,4.563136176587482,4.563251795201483,4.562850236782659,4.56329365400677,4.56195019955685,4.562804744367491,4.561114472217901,4.562158144542205,second
+280,6.37,96,2.301035639178863e+17,0.76,-0.2744368457017603,81.6,Branched,Base,1,0.2833068612814233,0.17080077756775747,5.76,1.4348757506012675,1.421195549970526,1.4196589490150178,1.419962396281341,1.4208281606125883,1.4222672011089348,1.4210281722913405,1.419772112199885,1.4214022922839582,1.4217770909111926,1.69,1.69,1.69,1.69,1.69,1.69,1.69,1.69,1.69,1.69,1.69,3.31,4.751708083132911,4.756268150009825,4.756780350328328,4.756679201239554,4.756390613129138,4.7559109329636895,4.756323942569554,4.756742629266705,4.756199235905347,4.756074303029602,third
+270,7.66,100,4.4707428216559494e+17,4.77,1.5623463049002497,103.1,Unknown,None,0,0.0201149054402232,0.010597640925880938,1.62,1.3884005181136865,1.219592637351618,1.0896431731694582,0.9871627111551448,0.9044186958275866,0.8349301616037481,0.7754538570424255,0.7244084406051625,0.6800687624712358,0.6410919343612042,3.26,3.144200259056843,3.0597963186758084,2.9948215865847287,2.943581355577572,2.902209347913793,2.8674650808018733,2.8377269285212123,2.8122042203025805,2.790034381235617,2.7705459671806016,0.89,1.0057997409431567,1.090203681324191,1.155178413415271,1.2064186444224276,1.2477906520862068,1.2825349191981261,1.3122730714787874,1.3377957796974187,1.3599656187643823,1.379454032819398,third
+280,12.75,97,4.1772000351223155e+17,2.66,0.9783261227936078,133.7,Unknown,Base,1,0.3347033020349554,0.2563430579238826,3.83,2.516236279128882,2.223756556668457,2.142666710289555,2.1186473429657875,2.1115627912847894,2.1097862356122623,2.1087351462411337,2.1089070456104313,2.1087392602896515,2.108665142959111,3.36,2.0462362791288817,1.7537565566684568,1.6726667102895547,1.6486473429657875,1.6415627912847892,1.639786235612262,1.6387351462411328,1.6389070456104309,1.6387392602896507,1.6386651429591104,2.79,4.103763720871118,4.396243443331543,4.477333289710446,4.501352657034213,4.508437208715211,4.510213764387738,4.511264853758867,4.511092954389569,4.511260739710349,4.5113348570408895,second
+276,6.99,90,1.300332683215669e+17,4.64,1.534714366238164,155.1,Linear,Enzyme,0,1.2033847677811724,0.7331277378760923,3.97,0.41481170132970313,0.29404879950364976,0.24040002492494394,0.20811318202202755,0.18634806262924208,0.1700280607066275,0.15742567644084565,0.14736453352301426,0.13894316677832058,0.13178935521833757,2.06,2.06,2.06,2.06,2.06,2.06,2.06,2.06,2.06,2.06,2.06,3.21,4.395062766223432,4.435317066832116,4.453199991691684,4.463962272659323,4.471217312456918,4.47665731309779,4.4808581078530505,4.484211822158994,4.487018944407225,4.489403548260553,third
+273,3.54,94,4.180433341595432e+17,1.37,0.3148107398400336,79.1,Branched,Acid,1,0.43153697707590655,0.2949739506330673,7.89,5.663521116590913,5.499099612963292,5.482899030938333,5.481277390512573,5.481099647893042,5.481339642565379,5.480510021242849,5.481893394364975,5.481521483574242,5.481237175368308,2.92,0.6935211165909134,0.5290996129632926,0.5128990309383347,0.5112773905125743,0.5110996478930426,0.5113396425653796,0.5105100212428498,0.5118933943649753,0.5115214835742421,0.5112371753683081,1.69,3.9164788834090865,4.080900387036707,4.097100969061666,4.098722609487426,4.098900352106957,4.09866035743462,4.09948997875715,4.098106605635024,4.098478516425757,4.098762824631692,second
+270,13.99,94,2.412217931101942e+17,3.47,1.244154593958768,194.5,Linear,Enzyme,1,0.15716887711944275,0.1069386602604782,8.54,7.648419112766348,6.926313802707215,6.341112549341663,5.868431970182579,5.486734240289841,5.176980390468495,4.92540792921966,4.7221328704831835,4.558149950959506,4.425338326511853,3.05,3.05,3.05,3.05,3.05,3.05,3.05,3.05,3.05,3.05,3.05,0.99,1.8815808872336517,2.6036861972927854,3.188887450658337,3.6615680298174214,4.04326575971016,4.353019609531505,4.60459207078034,4.807867129516817,4.971850049040494,5.104661673488147,first
+279,9.38,95,2.3567826544851197e+17,3.39,1.220829921392359,117.4,Ring,Acid,0,0.38520207883670043,0.24711805898860567,1.01,0.7421260161135189,0.545314926106583,0.4002903991546992,0.29421417138795275,0.21662029835749735,0.15907853766721797,0.11686833744986283,0.08601322832432165,0.06321481719141953,0.046451960888690275,0.29,0.29,0.29,0.29,0.29,0.29,0.29,0.29,0.29,0.29,0.29,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,first
+271,10.54,94,1.329887519995242e+17,2.49,0.9122827104766164,28.8,Branched,None,0,0.10112816222570124,0.05643703717265056,3.12,2.5926544793162782,2.232195318087166,1.9694983427882093,1.7719582243593766,1.6164980901566215,1.4904239163359732,1.3873901520258662,1.3017664831516922,1.228974130726224,1.1663122302642797,2.57,2.042654479316278,1.6821953180871654,1.419498342788209,1.2219582243593763,1.0664980901566212,0.9404239163359729,0.837390152025866,0.7517664831516919,0.6789741307262238,0.6163122302642792,4.82,5.347345520683723,5.707804681912835,5.970501657211791,6.168041775640624,6.32350190984338,6.449576083664028,6.552609847974135,6.638233516848309,6.711025869273777,6.773687769735721,second
+274,1.48,98,2.5002369983742573e+17,1.81,0.5933268452777344,29.3,Linear,None,0,0.0518613642703312,0.03740685558462794,8.96,1.960516973025767,1.4024851308722677,1.150409377436425,0.9976142405578774,0.8940905961821117,0.8162815486483416,0.7562456123930079,0.7081558145706224,0.6677887562251028,0.6335491666317147,4.08,4.08,4.08,4.08,4.08,4.08,4.08,4.08,4.08,4.08,4.08,2.3,4.633161008991411,4.819171623042577,4.903196874187858,4.954128586480707,4.988636467939297,5.01457281711722,5.034584795868998,5.05061472847646,5.064070414591633,5.075483611122762,third
+273,11.88,97,2.523237488028328e+17,2.71,0.9969486348916096,187.0,Linear,None,1,0.0694587680222818,0.04568402680748764,6.9,1.7968781413472767,1.4337025304966209,1.315269433646946,1.2675735866210294,1.2466660478170073,1.2379560968863543,1.2334628310984108,1.231725816809762,1.2310323305017836,1.2305212408059605,1.95,1.95,1.95,1.95,1.95,1.95,1.95,1.95,1.95,1.95,1.95,0.94,2.6410406195509073,2.7620991565011264,2.801576855451018,2.8174754711263232,2.824444650727664,2.827347967704548,2.828845722967196,2.8294247277300792,2.8296558898327384,2.8298262530646796,third
+279,13.87,90,4.657410443890842e+17,4.7,1.547562508716013,87.6,Branched,None,0,6.571311745446615,5.8374805601658,3.35,1.210188596301804,1.210000395779156,1.2100006736868314,1.2099985446382522,1.2100011861215016,1.210000429282532,1.209998034237734,1.2100011487050493,1.2100011911992439,1.210000770605569,1.07,9.429815090186301e-05,1.9788957781919498e-07,3.3684341549434446e-07,-7.276808742024242e-07,5.930607505242838e-07,2.1464126561872517e-07,-9.828811332859513e-07,5.743525243470786e-07,5.955996216629818e-07,3.85302784258908e-07,0.57,1.639905701849098,1.639999802110422,1.6399996631565843,1.6400007276808741,1.6399994069392494,1.6399997853587343,1.640000982881133,1.6399994256474753,1.6399994044003783,1.6399996146972158,third
+274,5.28,97,8.340187831455669e+16,2.26,0.8153648132841944,191.0,Ring,Acid,1,0.026833841412882507,0.020517260060428966,9.68,9.51973480210532,9.365427054478602,9.216855067094043,9.073804749238684,8.936072075878844,8.803460136695634,8.67577863863215,8.552843905893464,8.434478879946635,8.320513119520697,3.38,3.38,3.38,3.38,3.38,3.38,3.38,3.38,3.38,3.38,3.38,2.71,2.8702651978946787,3.0245729455213977,3.173144932905958,3.316195250761316,3.453927924121156,3.5865398633043655,3.7142213613678505,3.8371560941065352,3.955521120053365,4.069486880479302,first
+273,1.53,90,1.8404797296073504e+17,1.86,0.62057648772511,95.2,Branched,Base,1,1.1068737892110225,0.979515137682005,7.38,1.604812868058202,1.6030918860235126,1.6024321124296788,1.6050441656459562,1.6022433070815707,1.6037049744326135,1.6039693690389263,1.6018774258832171,1.6047130075426577,1.6040390882154474,3.74,3.74,3.74,3.74,3.74,3.74,3.74,3.74,3.74,3.74,3.74,2.73,4.655062377313933,4.655636037992163,4.655855962523441,4.654985278118015,4.655918897639476,4.655431675189129,4.655343543653693,4.656040858038929,4.655095664152447,4.655320303928184,third
+280,6.39,92,4.4406036425306586e+17,4.25,1.4469189829363254,119.9,Branched,Enzyme,1,3.04797816931963,2.555112561849158,9.29,5.983959335383151,5.9462506724435995,5.94765504895698,5.950576694039548,5.9432027683476845,5.946033308053117,5.949482973673252,5.943006635439338,5.947951723782334,5.951989224618688,0.81,0.81,0.81,0.81,0.81,0.81,0.81,0.81,0.81,0.81,0.81,3.75,7.056040664616849,7.0937493275564005,7.09234495104302,7.089423305960452,7.096797231652316,7.093966691946883,7.090517026326748,7.096993364560662,7.092048276217666,7.088010775381312,first
+280,4.82,91,2.6041418972146963e+17,1.85,0.6151856390902335,127.1,Ring,Base,0,2.7465879450132005,1.3734584716236047,4.9,1.493763240053383,1.4517627793277266,1.4500730572763247,1.4500029500181222,1.4500002241507188,1.4500001551252846,1.4499987893259165,1.4499998695095715,1.4499999326950292,1.450000067231207,3.45,0.04376324005338311,0.0017627793277267961,7.305727632494735e-05,2.950018122487591e-06,2.241507189866215e-07,1.5512528489103573e-07,-1.2106740833095431e-06,-1.304904281233016e-07,-6.730497052332004e-08,6.72312071757364e-08,4.74,8.146236759946618,8.188237220672274,8.189926942723675,8.189997049981876,8.18999977584928,8.189999844874714,8.190001210674083,8.190000130490429,8.190000067304972,8.189999932768794,second
+273,12.57,99,9.077890999742056e+16,4.16,1.425515074273172,62.9,Ring,Acid,0,0.010353060098953992,0.005714882429203817,6.85,5.578468635128239,4.881713002711387,4.429330471750703,4.105369729668143,3.8618016423187567,3.6680829096817287,3.5103541460041945,3.3799611083476195,3.2697650507482363,3.174426817604384,2.37,1.7342343175641197,1.3858565013556936,1.1596652358753516,0.9976848648340715,0.8759008211593784,0.7790414548408643,0.7001770730020973,0.6349805541738098,0.5798825253741183,0.5322134088021921,0.4,1.0357656824358805,1.3841434986443066,1.6103347641246486,1.7723151351659288,1.8940991788406218,1.9909585451591358,2.0698229269979027,2.1350194458261904,2.190117474625882,2.2377865911978083,third
+277,6.17,93,2.2938907798447763e+17,3.06,1.1184149159642893,194.6,Unknown,None,0,0.6647793699662303,0.3871129995501205,2.55,2.095123993752749,1.9667617857560562,1.9238131157611993,1.9086131316750483,1.9031307626261513,1.9011400218418717,1.9004153847919285,1.9001513202595255,1.9000550008331085,1.9000202579415646,0.65,0.19512399375274941,0.06676178575605658,0.023813115761199898,0.008613131675048999,0.0031307626261519728,0.0011400218418725582,0.00041538479192931193,0.00015132025952622766,5.500083310920918e-05,2.025794156516288e-05,3.95,4.40487600624725,4.5332382142439425,4.576186884238799,4.591386868324951,4.596869237373848,4.598859978158126,4.5995846152080695,4.5998486797404725,4.59994499916689,4.599979742058434,second
+271,8.13,92,2.1715742575140365e+17,3.57,1.2725655957915476,181.5,Ring,Base,1,0.4011818811274523,0.3331126436044656,9.89,2.0987814127913373,2.078286832919722,2.077885803669013,2.0788196081468753,2.080938471653539,2.0787970088464296,2.077938994294996,2.079179590667569,2.0794945544777717,2.0784933912967984,4.88,0.9843907063956682,0.9741434164598607,0.973942901834506,0.9744098040734371,0.9754692358267691,0.9743985044232143,0.9739694971474977,0.974589795333784,0.9747472772388854,0.9742466956483989,1.16,5.055609293604333,5.06585658354014,5.066057098165494,5.065590195926563,5.064530764173231,5.065601495576786,5.066030502852502,5.0654102046662155,5.065252722761115,5.065753304351602,third
+270,7.6,92,1.1370100789208083e+17,3.49,1.2499017362143359,57.6,Unknown,Base,0,0.18057247773137325,0.13124956115016062,7.92,6.586391940744691,6.139482691874973,5.9653220333133365,5.893328512695064,5.862851798225001,5.849818222274854,5.844220728408922,5.841815080648714,5.840780974046109,5.840336852947809,2.08,0.7463919407446912,0.2994826918749735,0.1253220333133367,0.05332851269506365,0.022851798225001038,0.009818222274853784,0.004220728408921619,0.0018150806487142446,0.0007809740461088802,0.00033685294780910757,2.88,4.213608059255309,4.6605173081250255,4.834677966686662,4.906671487304935,4.937148201774998,4.950181777725145,4.955779271591077,4.958184919351285,4.95921902595389,4.95966314705219,second
+279,13.54,99,1.1435582492445893e+17,4.37,1.4747630091074988,87.5,Ring,Enzyme,1,0.03332089092620401,0.02196861481867489,8.39,8.223315620866714,8.063843307967955,7.911270589664292,7.765297154596644,7.625639808213696,7.49202680878663,7.364196807451497,7.241898848209212,7.124892367925552,7.012947196331165,2.52,2.52,2.52,2.52,2.52,2.52,2.52,2.52,2.52,2.52,2.52,3.03,3.1966843791332877,3.3561566920320454,3.508729410335709,3.654702845403357,3.7943601917863052,3.9279731912133706,4.055803192548503,4.17810115179079,4.295107632074448,4.407052803668836,first
+277,9.17,91,1.9590802537794934e+17,4.96,1.601405740736836,23.5,Ring,Acid,0,1.3530569040626181,1.0281496016132774,8.12,3.980000453202041,3.980001344137185,3.980003118307751,3.9800010743988286,3.9799982908002844,3.979998065795401,3.980000457019545,3.9800022905284593,3.9800005070779116,3.9800004499186676,2.07,2.2660102030102664e-07,6.720685921703058e-07,1.5591538752103965e-06,5.37199413807641e-07,-8.54599858185439e-07,-9.671023000495282e-07,2.2850977189671608e-07,1.1452642289372283e-06,2.53538954935128e-07,2.2495933297749686e-07,2.88,4.9499997733989805,4.949999327931408,4.949998440846126,4.949999462800586,4.950000854599859,4.950000967102301,4.949999771490227,4.94999885473577,4.949999746461044,4.949999775040666,third
+270,3.62,97,1.64809424578789e+17,1.48,0.3920420877760237,131.4,Ring,Acid,1,0.028217998188384424,0.024879594373707417,7.21,7.051426524653126,6.89944553681709,6.753782363945098,6.614177888146122,6.48038199803317,6.352153534166393,6.229260289053084,6.111479007147674,5.99859538485174,5.890404070513997,4.17,4.17,4.17,4.17,4.17,4.17,4.17,4.17,4.17,4.17,4.17,0.04,0.19857347534687386,0.35055446318290917,0.4962176360549012,0.6358221118538774,0.7696180019668293,0.8978464658336063,1.0207397109469163,1.138520992852326,1.25140461514826,1.3595959294860027,first
+279,10.91,95,3.102850106279073e+17,3.7,1.308332819650179,135.8,Ring,None,1,0.5071423573925163,0.3497160611483378,4.18,1.9708764257250135,1.922175586745085,1.9209233898923843,1.9206827284181163,1.9201883074214432,1.919998909417262,1.9198122992502789,1.9201057713920662,1.9206943022076286,1.9210698681981324,1.76,1.76,1.76,1.76,1.76,1.76,1.76,1.76,1.76,1.76,1.76,4.22,5.324561787137493,5.348912206627458,5.349538305053808,5.3496586357909415,5.349905846289278,5.350000545291369,5.3500938503748605,5.3499471143039665,5.349652848896185,5.349465065900934,second
+275,13.69,98,1.7077294897268e+17,0.6,-0.5108256237659907,112.8,Ring,Base,1,0.041420994179814034,0.02175938655065545,5.82,5.683370585713884,5.553475425589713,5.4299821770528665,5.3125726584893815,5.200950020370201,5.094831328659235,4.993945678908393,4.898034196257584,4.806850035434722,4.720158380755718,0.68,0.68,0.68,0.68,0.68,0.68,0.68,0.68,0.68,0.68,0.68,3.03,3.166629414286117,3.2965245744102867,3.4200178229471327,3.5374273415106186,3.6490499796297984,3.755168671340764,3.856054321091607,3.9519658037424152,4.043149964565278,4.1298416192442815,first
+280,9.54,90,2.1165219021079552e+17,2.29,0.8285518175661483,84.8,Linear,Base,1,3.4301305948458287,2.748590161404648,8.34,6.50861279939276,6.50858662182325,6.50917510216085,6.508710655709365,6.5085808489712,6.509050601907216,6.508573345252127,6.5087171856011565,6.509205487127794,6.508876835188128,2.17,0.33861279939275896,0.338586621823249,0.339175102160849,0.3387106557093632,0.3385808489711978,0.3390506019072123,0.3385733452521226,0.33871718560115166,0.3392054871277894,0.3388768351881239,0.92,2.7513872006072404,2.75141337817675,2.7508248978391494,2.7512893442906354,2.7514191510288004,2.7509493980927857,2.7514266547478754,2.7512828143988464,2.7507945128722087,2.7511231648118746,second
+280,3.92,97,2.7632971276979693e+17,2.2,0.7884573603642703,189.4,Ring,Enzyme,0,0.22141258866410402,0.17407605255853578,7.23,7.0528699290687165,6.875739858137433,6.69860978720615,6.521479716274867,6.344349645343584,6.1672195744123,5.990089503481017,5.812959432549734,5.635829361618451,5.458699290687168,4.8,4.8,4.8,4.8,4.8,4.8,4.8,4.8,4.8,4.8,4.8,1.71,1.887130070931283,2.0642601418625666,2.2413902127938496,2.4185202837251327,2.5956503546564162,2.7727804255876993,2.949910496518983,3.127040567450266,3.3041706383815495,3.4813007093128325,zero
+271,6.45,99,1.8027456897411773e+17,4.44,1.4906543764441336,109.5,Unknown,Base,0,0.01490109273161626,0.010534246829961322,7.82,7.727332201830695,7.63576252656023,7.545277956778992,7.455865633979412,7.367512859730351,7.280207080816316,7.193935889092042,7.1086870214824955,7.024448359982867,6.9412079316585755,2.69,2.69,2.69,2.69,2.69,2.69,2.69,2.69,2.69,2.69,2.69,0.6,0.6926677981693051,0.7842374734397707,0.8747220432210085,0.9641343660205877,1.0524871402696492,1.1397929191836846,1.2260641109079577,1.3113129785175044,1.3955516400171333,1.4787920683414253,first
+274,7.01,98,6.154023057585994e+16,3.36,1.2119409739751128,50.4,Unknown,Enzyme,0,0.012765031144047992,0.01073529014245076,7.48,7.266806331490128,7.0742937364069745,6.899588822972005,6.740653723573691,6.595765832250139,6.4633477483960515,6.341967276762721,6.230337427458031,6.127316415946463,6.031907663049084,2.94,2.7268063314901267,2.534293736406974,2.3595888229720043,2.20065372357369,2.0557658322501386,1.923347748396051,1.8019672767627197,1.6903374274580307,1.5873164159464617,1.491907663049084,0.51,0.723193668509873,0.915706263593026,1.0904111770279956,1.24934627642631,1.3942341677498613,1.526652251603949,1.64803272323728,1.759662572541969,1.862683584053538,1.958092336950916,second
+273,9.58,97,1.9465676621572643e+17,1.55,0.4382549309311553,172.7,Unknown,None,0,0.053584409841305795,0.03714427403227021,5.01,4.799771836596776,4.598365236979008,4.405409860371154,4.220549043482682,4.0434450972234375,3.8737743562502316,3.7112252114584137,3.5554981099818725,3.4063055551930366,3.263372106702874,4.63,4.63,4.63,4.63,4.63,4.63,4.63,4.63,4.63,4.63,4.63,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,first
+278,11.59,94,1.7235703457284557e+17,1.17,0.1570037488096647,108.2,Linear,Acid,1,0.37473010987881966,0.33265411927449173,6.92,6.600403028279404,6.572944265115674,6.5705574509887645,6.570262200327633,6.570169463397289,6.5706680091140965,6.570099116192138,6.570455387841215,6.57074094913724,6.570447802260185,0.99,0.670403028279404,0.6429442651156747,0.6405574509887649,0.6402622003276331,0.6401694633972888,0.6406680091140963,0.6400991161921378,0.6404553878412153,0.6407409491372394,0.6404478022601853,4.39,4.709596971720596,4.737055734884326,4.739442549011235,4.739737799672366,4.73983053660271,4.739331990885903,4.739900883807862,4.7395446121587845,4.73925905086276,4.7395521977398145,second
+272,10.31,91,2.5432182675347475e+17,1.98,0.6830968447064438,36.7,Linear,Base,1,0.8495574640202638,0.6192127477647366,9.03,1.6467362126020961,1.6458426768451,1.6446396686366103,1.6448069736470845,1.6462259967246038,1.6476265842639837,1.6480563301880078,1.647281239400091,1.6463355907916508,1.6468617470884452,3.03,3.03,3.03,3.03,3.03,3.03,3.03,3.03,3.03,3.03,3.03,3.66,6.121087929132637,6.12138577438497,6.121786777121133,6.121731008784309,6.121258001091802,6.120791138578676,6.120647889937335,6.120906253533308,6.121221469736121,6.121046084303857,third
+276,4.93,100,1.741310689413835e+17,1.36,0.3074846997479607,139.1,Unknown,Enzyme,0,0.020634717297459925,0.017073929723241663,7.76,2.947017340523717,2.1620016325234976,1.7895816354914067,1.559045588695695,1.4012254803062432,1.2817386860494944,1.1889349513593104,1.1144639240583265,1.0519099412476751,0.9986105126919841,1.97,1.97,1.97,1.97,1.97,1.97,1.97,1.97,1.97,1.97,1.97,4.95,6.554327553158761,6.8159994558255015,6.940139454836198,7.016984803768103,7.069591506564586,7.109420437983502,7.140355016213563,7.165178691980558,7.186030019584108,7.203796495769339,third
+276,5.76,97,3.872545738029449e+17,1.46,0.37843643572024505,188.8,Unknown,Enzyme,1,0.16963175112137477,0.14245927862667745,7.81,2.4839787005112015,2.206318017616425,2.147897914082173,2.1340845005666407,2.1308325103709955,2.1296362089054055,2.12968332523603,2.129231292421351,2.129800174349024,2.1295855071995486,3.42,0.7569893502556008,0.6181590088082127,0.5889489570410865,0.5820422502833201,0.5804162551854978,0.5798181044527028,0.5798416626180151,0.5796156462106754,0.5799000871745119,0.5797927535997742,0.29,2.953010649744399,3.0918409911917872,3.121051042958914,3.12795774971668,3.1295837448145027,3.1301818955472975,3.1301583373819857,3.1303843537893252,3.1300999128254885,3.1302072464002264,third
+271,10.96,94,8.559570027865418e+16,1.73,0.5481214085096876,52.2,Unknown,Base,0,0.06508923298741243,0.04061798028951613,9.89,4.8873439193016655,3.24071098325169,2.4263151178306614,1.938669988395279,1.6136457502613233,1.3819013986837623,1.209729349934722,1.0743353067164567,0.9663214981650352,0.8780683812972006,4.11,4.11,4.11,4.11,4.11,4.11,4.11,4.11,4.11,4.11,4.11,4.84,7.341328040349167,8.164644508374156,8.57184244108467,8.815665005802362,8.978177124869338,9.094049300658119,9.180135325032639,9.247832346641772,9.301839250917482,9.3459658093514,second
+274,9.63,92,2.1283889769368128e+17,4.61,1.5282278570085572,84.0,Unknown,Base,0,0.6148643396761717,0.38416244693110013,2.16,0.7551953853502578,0.37709845146308235,0.21284177140133884,0.12725528494334537,0.07866582027599535,0.04950443515445186,0.03150482902646351,0.020196609599021764,0.013008014147228948,0.008395492800653208,3.04,1.6351953853502577,1.2570984514630823,1.0928417714013388,1.0072552849433454,0.9586658202759952,0.9295044351544518,0.9115048290264635,0.9001966095990217,0.8930080141472289,0.8883954928006531,4.82,6.2248046146497416,6.602901548536917,6.76715822859866,6.852744715056653,6.901334179724004,6.930495564845547,6.948495170973536,6.959803390400977,6.96699198585277,6.971604507199347,second
+275,1.11,91,1.815183759367989e+17,2.76,1.0152306797290584,152.6,Ring,Base,0,0.9405439142347232,0.6161566960629704,8.6,0.6191359932738789,0.32086116627576045,0.21661547446026658,0.16357394624901406,0.13138681757857898,0.10974936537502285,0.09421177071077488,0.08263184415982655,0.07349909817008475,0.06617975695595765,0.61,0.61,0.61,0.61,0.61,0.61,0.61,0.61,0.61,0.61,0.61,1.23,5.220432003363061,5.369569416862119,5.421692262769866,5.448213026875492,5.46430659121071,5.475125317312488,5.482894114644612,5.4886840779200865,5.493250450914957,5.496910121522021,second
+279,8.34,91,3.736245364609954e+16,2.14,0.7608058290337602,129.1,Linear,Acid,0,0.34254312345594784,0.22997725981087802,4.58,1.308171848281082,0.7635101392368799,0.5390234287004864,0.4160888853196902,0.3393111767827863,0.28604258925457215,0.24764038621054735,0.2180950948626337,0.19481972998923056,0.17604132398909728,3.37,3.37,3.37,3.37,3.37,3.37,3.37,3.37,3.37,3.37,3.37,2.03,3.6659140758594586,3.9382449303815594,4.050488285649756,4.1119555573401545,4.150344411608607,4.176978705372714,4.196179806894726,4.210952452568683,4.222590135005385,4.231979338005451,second
+280,3.19,94,2.640975422109828e+17,1.81,0.5933268452777344,21.5,Linear,Base,0,0.7677435099602166,0.3938049898966943,2.33,1.2600062745533114,0.6821640476611777,0.3695224185984993,0.19983299859951353,0.1083236938128349,0.05861675295343183,0.031721949253646214,0.017197812745732222,0.009298914133406362,0.005040207831344625,3.19,3.19,3.19,3.19,3.19,3.19,3.19,3.19,3.19,3.19,3.19,1.79,1.79,1.79,1.79,1.79,1.79,1.79,1.79,1.79,1.79,1.79,first
+276,5.48,95,2.9816762605740326e+17,3.15,1.1474024528375417,161.2,Ring,None,0,0.31224581908046745,0.24882314722086254,5.96,4.6425844753063865,3.6160035369238845,2.8151701163509415,2.193356645925291,1.7102694187461536,1.3319529346234649,1.0369800133301812,0.8082305493717529,0.6302798662650075,0.4909682116834295,0.9,0.9,0.9,0.9,0.9,0.9,0.9,0.9,0.9,0.9,0.9,2.4,3.717415524693613,4.743996463076116,5.544829883649059,6.16664335407471,6.649730581253847,7.028047065376535,7.323019986669819,7.551769450628247,7.729720133734992,7.86903178831657,first
+274,10.3,91,8.405926867133086e+16,2.37,0.8628899551470398,171.9,Linear,Acid,0,0.37666751749598965,0.2697908486946097,7.73,1.3701612988265346,0.751413326393335,0.5178613260445951,0.39532042376114873,0.3191739238372279,0.2681167675007701,0.23078517024806625,0.20265877485920014,0.18083578102851172,0.16310322102432348,1.11,1.11,1.11,1.11,1.11,1.11,1.11,1.11,1.11,1.11,1.11,2.45,5.629919350586733,5.939293336803333,6.0560693369777026,6.117339788119426,6.155413038081386,6.180941616249615,6.199607414875967,6.2136706125704,6.224582109485744,6.2334483894878385,second
+276,5.31,91,1.2685223496581494e+17,4.01,1.3887912413184778,111.6,Branched,Enzyme,0,0.7592510083896097,0.666209267255616,5.2,1.4309911275332041,0.9038295819226754,0.6973311317723716,0.5891487319328398,0.5239297164259746,0.480892154692913,0.4512506455721634,0.4298917327929626,0.41410398945879845,0.4022498352893285,4.84,1.0709911275332038,0.5438295819226753,0.3373311317723714,0.22914873193283966,0.16392971642597448,0.12089215469291292,0.09125064557216327,0.06989173279296255,0.05410398945879835,0.04224983528932845,4.46,8.229008872466796,8.756170418077325,8.962668868227627,9.07085126806716,9.136070283574025,9.179107845307087,9.208749354427837,9.230108267207038,9.245896010541202,9.257750164710671,second
+278,3.06,99,1.1499873976359019e+17,1.3,0.26236426446749106,170.4,Linear,Base,0,0.028739339618263644,0.022055672638614278,6.08,4.751268873704399,3.901260728035053,3.3073341215296455,2.8745328490632165,2.5389808534485248,2.2732565542842122,2.0596754558969304,1.8831222165828252,1.7331111448539085,1.6051896906410796,2.25,2.25,2.25,2.25,2.25,2.25,2.25,2.25,2.25,2.25,2.25,2.95,3.6143655631478007,4.039369635982474,4.336332939235177,4.552733575468392,4.720509573275738,4.8533717228578945,4.9601622720515355,5.048438891708588,5.123444427573047,5.187405154679461,second
+276,2.37,95,7.349692936622139e+16,0.75,-0.2876820724517809,75.4,Linear,Base,0,0.07696713829501026,0.06777030887888699,8.51,8.448426289363992,8.386852578727984,8.325278868091974,8.263705157455966,8.202131446819958,8.14055773618395,8.07898402554794,8.017410314911933,7.955836604275925,7.894262893639917,3.14,3.14,3.14,3.14,3.14,3.14,3.14,3.14,3.14,3.14,3.14,0.84,0.9015737106360082,0.9631474212720165,1.0247211319080247,1.0862948425440329,1.147868553180041,1.2094422638160494,1.2710159744520575,1.3325896850880659,1.394163395724074,1.4557371063600821,zero
+270,7.82,93,2.7208380159993117e+17,2.38,0.8671004876833833,43.8,Branched,Enzyme,1,0.2767714652108492,0.24556608569426377,6.88,2.131184862915179,2.0615514579952876,2.0582122795834596,2.0580657094457013,2.056937777746521,2.057065054922843,2.0574373157318933,2.0575380927750735,2.0587263170387873,2.05851201308185,3.39,1.0155924314575897,0.9807757289976439,0.9791061397917301,0.9790328547228508,0.9784688888732608,0.9785325274614216,0.9787186578659466,0.9787690463875368,0.9793631585193936,0.979256006540925,2.26,4.634407568542411,4.669224271002357,4.670893860208271,4.67096714527715,4.671531111126741,4.67146747253858,4.671281342134055,4.671230953612464,4.670636841480608,4.670743993459076,third
+270,1.38,92,2.8519934953802858e+17,1.4,0.3364722366212129,85.7,Branched,Acid,0,0.45293488728207365,0.3464381308129357,7.49,7.127652090174341,6.765304180348682,6.402956270523023,6.040608360697364,5.678260450871705,5.315912541046046,4.953564631220387,4.591216721394728,4.228868811569069,3.86652090174341,0.46,0.46,0.46,0.46,0.46,0.46,0.46,0.46,0.46,0.46,0.46,4.14,4.502347909825659,4.864695819651318,5.227043729476977,5.589391639302636,5.951739549128295,6.314087458953954,6.676435368779613,7.038783278605272,7.401131188430931,7.76347909825659,zero
+280,2.29,92,3.4452731770027206e+17,0.51,-0.6733445532637656,135.8,Linear,Enzyme,0,2.364795031529157,1.2520591924688438,7.15,2.700466685189547,2.6900647589194575,2.6900005175380057,2.6899993010781076,2.690000654941435,2.6899992658247984,2.6900010702023645,2.6899995276065183,2.6900008988539814,2.6900002284326066,4.46,0.010466685189546378,6.475891945727829e-05,5.1753800569015e-07,-6.989218924366222e-07,6.549414344859063e-07,-7.341752015308403e-07,1.0702023642961507e-06,-4.723934813876585e-07,8.988539815840595e-07,2.2843260681922138e-07,0.5,4.949533314810454,4.959935241080543,4.959999482461995,4.960000698921893,4.9599993450585655,4.9600007341752015,4.959998929797636,4.960000472393481,4.959999101146018,4.959999771567393,second
+280,12.77,95,4.1085093787694605e+17,2.77,1.0188473201992472,166.8,Unknown,Base,1,0.7772792133332835,0.5170583854030518,1.09,0.5932520654730717,0.5284470622546164,0.5170647981525657,0.5149809601107591,0.5144776401910404,0.5143896689339453,0.5144387111328188,0.5142663430351516,0.514164002693799,0.5149682568012527,2.56,2.56,2.56,2.56,2.56,2.56,2.56,2.56,2.56,2.56,2.56,0.11,0.35837396726346415,0.39077646887269185,0.3964676009237172,0.39750951994462047,0.39776117990447984,0.39780516553302736,0.3977806444335906,0.3978668284824242,0.3979179986531005,0.3975158715993737,second
+275,8.53,97,3.1405599640769414e+17,1.78,0.5766133643039938,112.9,Ring,Base,0,0.11796672867437706,0.10500952126244284,3.28,2.9846124411347184,2.7158273811376987,2.4712063657647363,2.248512423758796,2.0458890269489354,1.861599566255357,1.6940099205196977,1.541588456505028,1.4029060288958528,1.2766359802981109,0.88,0.88,0.88,0.88,0.88,0.88,0.88,0.88,0.88,0.88,0.88,0.04,0.04,0.04,0.04,0.04,0.04,0.04,0.04,0.04,0.04,0.04,first
+280,7.19,93,2.4550400446079856e+17,4.54,1.5129270120532565,55.4,Linear,Acid,0,1.0966534221223674,0.5777216089856193,6.19,5.312677262302106,4.435354524604212,3.5580317869063176,2.680709049208424,1.8033863115105304,0.9260635738126353,0.04874083611474056,-0.8285819015831528,-1.705904639281047,-2.5832273769789422,1.63,1.63,1.63,1.63,1.63,1.63,1.63,1.63,1.63,1.63,1.63,3.58,4.457322737697894,5.334645475395788,6.211968213093682,7.089290950791575,7.966613688489469,8.843936426187364,9.721259163885259,10.598581901583152,11.475904639281048,12.353227376978943,zero
+270,12.18,98,5.007242918164056e+16,1.89,0.636576829071551,63.1,Unknown,Acid,0,0.0054912877549107555,0.003240795046864857,4.19,3.4632063968234976,3.0255803580738037,2.7151128036111905,2.486103775365914,2.3057041101605287,2.158831318217054,2.037837370386107,1.936047342443806,1.8478497669750746,1.7699222708113829,4.68,4.68,4.68,4.68,4.68,4.68,4.68,4.68,4.68,4.68,4.68,2.82,3.062264534392167,3.2081398806420656,3.3116290654629363,3.387965408211362,3.4480986299464904,3.497056227260982,3.5373875432046313,3.5713175525187317,3.600716744341642,3.626692576396206,third
+273,4.62,99,4.810256524918129e+17,1.26,0.23111172096338664,168.8,Unknown,Enzyme,0,0.0548595206698098,0.03329062119690415,5.55,2.8384202535210767,2.1426004540828343,1.787880608322228,1.5627812006444657,1.4048003194584728,1.2847193023588976,1.1909028881497272,1.114561133123046,1.05026874206407,0.9955602817018513,2.86,1.5042101267605383,1.156300227041417,0.9789403041611141,0.8663906003222329,0.7874001597292366,0.727359651179449,0.6804514440748638,0.6422805665615232,0.6101343710320352,0.5827801408509258,1.11,2.4657898732394616,2.813699772958583,2.991059695838886,3.1036093996777674,3.182599840270764,3.2426403488205513,3.2895485559251365,3.327719433438477,3.359865628967965,3.3872198591490745,third
+278,12.4,95,4.3607566376434304e+17,3.72,1.3137236682850553,95.7,Ring,Enzyme,1,0.6151064100436529,0.4075968036322558,1.89,1.2816040250265228,1.2823217241928855,1.2802885636600698,1.280300777486588,1.2823151404559134,1.2814543767374476,1.2803746975359518,1.2814830487116813,1.2829926204236417,1.2815803125336387,4.08,4.08,4.08,4.08,4.08,4.08,4.08,4.08,4.08,4.08,4.08,2.97,3.1727986583244925,3.172559425269039,3.1732371454466435,3.1732330741711374,3.172561619848029,3.172848541087517,3.1732084341546827,3.172838983762773,3.1723357931921194,3.1728065624887876,third
+276,6.06,100,8.225686597745942e+16,2.65,0.9745596399981308,151.5,Unknown,Acid,1,0.009747526306125708,0.006103530964642759,5.38,3.9558264400703487,3.2132080108698218,2.7437180792360003,2.416992168784464,2.1735916481057123,1.9838784620130112,1.8332257543049686,1.710001423586202,1.606333094936593,1.5185638779044335,4.71,3.9979132200351746,3.6266040054349107,3.391859039618,3.228496084392232,3.106795824052856,3.0119392310065054,2.936612877152484,2.875000711793101,2.8231665474682965,2.779281938952217,0.01,0.7220867799648256,1.0933959945650893,1.3281409603819998,1.4915039156077678,1.6132041759471438,1.7080607689934943,1.7833871228475155,1.8449992882068988,1.8968334525317037,1.9407180610477834,third
+280,6.57,93,4.593139068349746e+17,0.97,-0.030459207484708574,131.2,Branched,Acid,0,2.051730964084539,1.228352955799755,8.39,5.710157170427683,5.710000183074117,5.7099996404893965,5.710000661381907,5.710000187725847,5.7100006694060434,5.71000024964227,5.70999912423397,5.709999426973074,5.710000479415834,2.68,0.0001571704276832807,1.8307411635836816e-07,-3.595106045151643e-07,6.613819069772216e-07,1.877258475322434e-07,6.694060435103591e-07,2.496422696985822e-07,-8.757660316552459e-07,-5.73026926523504e-07,4.794158338495489e-07,2.62,5.2998428295723174,5.299999816925884,5.300000359510604,5.299999338618093,5.299999812274153,5.299999330593957,5.29999975035773,5.300000875766031,5.300000573026927,5.299999520584167,second
+280,7.87,90,7.217453478036835e+16,0.97,-0.030459207484708574,192.3,Branched,None,1,1.1696929744612603,0.9062892544796379,1.07,0.6769695018044005,0.6729386502372834,0.6725964173105907,0.6734775189570121,0.6727481287407615,0.6723363031121599,0.6739597912251025,0.6728936734051141,0.6731024072266331,0.6737957804871176,3.79,3.3969695018044006,3.392938650237283,3.3925964173105907,3.3934775189570123,3.3927481287407617,3.39233630311216,3.393959791225103,3.3928936734051143,3.393102407226633,3.3937957804871175,2.55,2.9430304981955993,2.9470613497627167,2.947403582689409,2.9465224810429875,2.947251871259238,2.94766369688784,2.946040208774897,2.9471063265948856,2.9468975927733667,2.9462042195128824,second
+277,2.51,100,2.7114063678388378e+17,4.44,1.4906543764441336,101.2,Branched,Base,0,0.037604756541227545,0.028411236394544695,1.75,1.719916194767018,1.689832389534036,1.659748584301054,1.6296647790680718,1.59958097383509,1.5694971686021078,1.5394133633691258,1.5093295581361437,1.4792457529031617,1.4491619476701798,3.83,3.83,3.83,3.83,3.83,3.83,3.83,3.83,3.83,3.83,3.83,0.01,0.04008380523298204,0.07016761046596406,0.10025141569894612,0.13033522093192818,0.16041902616491022,0.19050283139789226,0.2205866366308743,0.25067044186385634,0.2807542470968383,0.3108380523298203,zero
+276,9.57,91,1.5700219921992365e+17,4.61,1.5282278570085572,52.0,Unknown,Enzyme,1,0.9397081423850151,0.7183324896293025,4.0,1.4518247276560503,1.452619608036317,1.4544725276887596,1.4509931228782376,1.4544222009428174,1.4515810371133084,1.4538418901891625,1.4522554305770936,1.4531147753239675,1.4533118930114357,4.68,4.68,4.68,4.68,4.68,4.68,4.68,4.68,4.68,4.68,4.68,3.16,4.009391757447984,4.00912679732123,4.008509157437083,4.00966895904059,4.0085259330190635,4.009472987628898,4.008719369936946,4.009248189807637,4.008961741558678,4.008896035662856,third
+272,9.69,93,2.4916881481308256e+17,0.64,-0.4462871026284195,189.8,Linear,None,0,0.34372467087455627,0.21887442715041014,6.81,1.4390531009492662,0.80493892914039,0.5584684344039725,0.42749508436737726,0.34667984283768716,0.2911135226219153,0.2511194541545241,0.2208924864781417,0.1969639096189653,0.17771681346659796,0.51,0.51,0.51,0.51,0.51,0.51,0.51,0.51,0.51,0.51,0.51,4.73,7.415473449525367,7.732530535429805,7.855765782798014,7.921252457816311,7.961660078581157,7.989443238689042,8.009440272922738,8.024553756760929,8.036518045190517,8.046141593266702,second
+276,7.07,98,9.363992533538981e+16,4.51,1.506297153514587,45.3,Ring,Acid,0,0.02652826644259146,0.021078500835052562,5.06,5.0387773868459265,5.017554773691853,4.99633216053778,4.975109547383707,4.953886934229635,4.932664321075561,4.911441707921488,4.8902190947674145,4.868996481613341,4.847773868459268,1.63,1.63,1.63,1.63,1.63,1.63,1.63,1.63,1.63,1.63,1.63,4.37,4.391222613154073,4.412445226308146,4.4336678394622195,4.454890452616293,4.476113065770365,4.497335678924439,4.518558292078512,4.539780905232585,4.561003518386658,4.5822261315407316,zero
+280,7.51,99,4.7993783364126515e+17,1.12,0.11332868530700327,132.9,Unknown,Enzyme,1,0.16287021282254183,0.10245091008917519,9.99,8.857823002105478,7.941597641722151,7.200490089680288,6.602362515860349,6.11892001014853,5.726484436822919,5.408968808570784,5.1531581317738535,4.946950251466495,4.7795372596554735,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,0.55,1.6821769978945222,2.5984023582778506,3.3395099103197134,3.9376374841396524,4.421079989851472,4.813515563177082,5.131031191429217,5.386841868226147,5.593049748533506,5.760462740344527,first
+271,11.7,90,2.2322607159915984e+17,3.14,1.144222799920162,106.2,Unknown,Acid,0,1.0018921257398241,0.7782303540273845,3.26,1.4620226794878917,0.6563663777544686,0.2947067480745523,0.13241989187778158,0.05949444524492955,0.026703719383925177,0.011980575115580325,0.005378192516175781,0.002416191085549198,0.0010861810990645537,2.98,2.98,2.98,2.98,2.98,2.98,2.98,2.98,2.98,2.98,2.98,3.47,5.2679773205121085,6.073633622245532,6.435293251925448,6.5975801081222185,6.670505554755071,6.703296280616075,6.71801942488442,6.724621807483825,6.727583808914451,6.728913818900935,first
+277,11.72,98,1.0780917487494125e+17,2.92,1.0715836162801904,110.5,Ring,Acid,0,0.03563386484359441,0.025123385444871905,9.7,2.3498735680648384,1.6876939536456117,1.3844798166952903,1.2018215865109898,1.0767917045803006,0.9843183860452579,0.9114134956429784,0.8530904075074923,0.8051022440087712,0.7640799315498487,3.67,3.67,3.67,3.67,3.67,3.67,3.67,3.67,3.67,3.67,3.67,1.77,4.220042143978387,4.440768682118129,4.541840061101571,4.60272613782967,4.6444027651399,4.675227204651581,4.699528834785674,4.718969864164169,4.734965918663743,4.7486400228167165,third
+278,7.32,98,4.587159227026956e+17,3.64,1.2919836816486494,52.6,Branched,Enzyme,0,0.1766968037141282,0.12207961728033252,4.9,4.334876655868772,4.302523051356795,4.300185389560318,4.300014051276075,4.300000836509997,4.299999730327306,4.300000196199091,4.300000143769165,4.299999349739786,4.300000750194625,0.3,0.01743832793438581,0.0012615256783972551,9.269478015927348e-05,7.0256380376075496e-06,4.182549984424936e-07,-1.3483634690494701e-07,9.80995453338389e-08,7.188458290911139e-08,-3.2513010679401823e-07,3.7509731275757706e-07,1.76,2.0425616720656143,2.058738474321603,2.0599073052198413,2.059992974361963,2.059999581745002,2.0600001348363475,2.059999901900455,2.0599999281154178,2.0600003251301073,2.0599996249026877,third
+279,6.96,98,3.545642884291635e+17,3.2,1.1631508098056809,146.0,Linear,Enzyme,0,0.1589940965115533,0.1196953141994983,3.18,3.052804722790757,2.9256094455815145,2.798414168372272,2.6712188911630292,2.5440236139537866,2.416828336744544,2.2896330595353014,2.1624377823260583,2.0352425051168157,1.908047227907573,4.94,4.94,4.94,4.94,4.94,4.94,4.94,4.94,4.94,4.94,4.94,2.68,2.8071952772092432,2.934390554418486,3.0615858316277285,3.188781108836971,3.3159763860462137,3.4431716632554563,3.570366940464699,3.697562217673942,3.8247574948831846,3.9519527720924272,zero
+270,7.25,97,2.434795712918012e+17,3.39,1.220829921392359,184.4,Branched,Acid,0,0.04168758018044132,0.03642748624012465,8.84,2.170451378271998,1.559397775612553,1.2792559323805566,1.1113643960534219,0.995080417440736,0.9100371524396508,0.8428989606921883,0.7886882937102352,0.7439694733840023,0.7060472844769192,3.12,3.12,3.12,3.12,3.12,3.12,3.12,3.12,3.12,3.12,3.12,3.42,5.643182873909335,5.84686740812915,5.940248022539815,5.996211867982193,6.0349731941864215,6.063320949186783,6.085700346435938,6.103770568763255,6.118676842205333,6.131317571841027,third
+271,3.68,90,4.905603608305415e+17,2.19,0.7839015438284094,40.9,Unknown,Acid,1,2.2017525067535892,1.192432331464742,2.72,2.0304608019762664,2.030378378244262,2.0300020852907505,2.0311387337198488,2.02984136096256,2.0308896554134135,2.030378990045643,2.030143018085023,2.0312277348205185,2.030633375934692,1.03,0.685230400988133,0.6851891891221304,0.685001042645375,0.6855693668599243,0.6849206804812802,0.6854448277067068,0.6851894950228217,0.6850715090425115,0.6856138674102588,0.6853166879673456,4.87,5.214769599011868,5.21481081087787,5.2149989573546245,5.214430633140076,5.215079319518719,5.214555172293292,5.214810504977178,5.2149284909574884,5.21438613258974,5.214683312032654,third
+270,13.66,96,4.369054793678025e+17,1.08,0.0769610411361284,120.4,Ring,Acid,0,0.11678855000571353,0.08684884095443288,3.76,2.848816334259511,2.307382620224508,1.9461091074366648,1.6892482236237065,1.4959775194020541,1.3471376690404333,1.2280784356356649,1.130304005722646,1.0491040867369517,0.9805378468787094,3.47,2.5588163342595114,2.017382620224508,1.6561091074366652,1.399248223623707,1.2059775194020546,1.0571376690404337,0.9380784356356653,0.8403040057226465,0.759104086736952,0.6905378468787098,4.36,5.271183665740489,5.812617379775492,6.173890892563335,6.430751776376294,6.624022480597946,6.772862330959567,6.891921564364336,6.989695994277354,7.070895913263049,7.139462153121292,second
+280,8.81,93,4.7951630703942886e+17,4.59,1.5238800240724537,172.9,Unknown,Base,1,2.141974018848389,1.0739687307944574,2.8,0.7394465678552192,0.7389088642846707,0.7391286711826239,0.7401017417975287,0.7399195419962538,0.7387274239699378,0.7383826766585003,0.7388965528762987,0.7396277067424861,0.7394705931403928,3.82,2.78972328392761,2.7894544321423353,2.7895643355913124,2.7900508708987646,2.7899597709981268,2.789363711984969,2.78919133832925,2.789448276438149,2.789813853371243,2.7897352965701963,2.01,3.04027671607239,3.0405455678576643,3.040435664408687,3.039949129101235,3.040040229001873,3.0406362880150306,3.0408086616707495,3.0405517235618507,3.0401861466287565,3.0402647034298034,third
+277,4.13,92,8.164929568091805e+16,4.0,1.3862943611198906,56.9,Branched,Acid,0,0.3652891383227696,0.23392775672698382,4.86,4.567768689341785,4.275537378683569,3.9833060680253527,3.691074757367137,3.3988434467089212,3.1066121360507055,2.8143808253924902,2.522149514734274,2.2299182040760597,1.937686893417844,3.33,3.33,3.33,3.33,3.33,3.33,3.33,3.33,3.33,3.33,3.33,2.44,2.7322313106582157,3.024462621316431,3.316693931974647,3.608925242632863,3.9011565532910786,4.193387863949294,4.48561917460751,4.777850485265725,5.07008179592394,5.362313106582156,zero
+271,12.92,93,3.433867251544717e+17,0.83,-0.18632957819149348,193.7,Ring,Base,1,0.4070009444576631,0.3258337307483379,7.07,5.714440920050179,4.960058361856172,4.541724390925799,4.307298562178266,4.178566019815457,4.105412809538555,4.065571754145118,4.043607039369846,4.030789696826979,4.02393975597303,4.38,4.38,4.38,4.38,4.38,4.38,4.38,4.38,4.38,4.38,4.38,1.96,3.315559079949822,4.069941638143829,4.488275609074202,4.722701437821735,4.851433980184544,4.924587190461446,4.964428245854883,4.986392960630155,4.999210303173022,5.006060244026971,first
+271,13.31,100,3.956824100368258e+17,3.85,1.3480731482996928,32.0,Ring,Acid,0,0.020983391576555366,0.010729729290923477,3.34,3.258123337178387,3.1824564377118225,3.112344854102697,3.04721820608623,2.9866111691934236,2.9301038054466804,2.8773153820052837,2.8279043711653955,2.7815684503600573,2.7380445021591897,1.52,1.438123337178387,1.3624564377118225,1.2923448541026965,1.2272182060862298,1.1666111691934231,1.11010380544668,1.0573153820052834,1.0079043711653952,0.9615684503600569,0.9180445021591894,2.07,2.151876662821613,2.227543562288177,2.297655145897303,2.36278179391377,2.4233888308065765,2.4798961945533193,2.532684617994716,2.582095628834604,2.6284315496399424,2.67195549784081,second
+278,8.87,97,1.8247316040871542e+17,3.38,1.2178757094949273,74.9,Ring,Base,0,0.10833905596084535,0.06573669419743738,6.08,1.354950618556718,0.9702792896527541,0.7956755845334534,0.6900612214320619,0.6184203360211744,0.5648612447912208,0.5230733993975816,0.48973625945231564,0.46207240496151536,0.43837777058736793,2.28,2.28,2.28,2.28,2.28,2.28,2.28,2.28,2.28,2.28,2.28,3.25,4.825016460481095,4.953240236782416,5.011441471822183,5.046646259522646,5.070526554659609,5.088379585069593,5.102308866867473,5.113421246849228,5.122642531679495,5.130540743137543,third
+277,12.21,93,1.7183040554941155e+17,3.42,1.2296405510745139,125.6,Unknown,Enzyme,1,0.4979718727057674,0.32436234571929484,9.58,2.205936640312201,2.13179038183762,2.130084562277379,2.129936854652678,2.1302744063937893,2.1312897271723403,2.132279841628977,2.1331722649186813,2.1323357174372353,2.131153866696952,1.17,1.17,1.17,1.17,1.17,1.17,1.17,1.17,1.17,1.17,1.17,3.24,6.927031679843901,6.964104809081191,6.964957718861311,6.965031572673662,6.964862796803106,6.964355136413832,6.963860079185513,6.963413867540661,6.963832141281383,6.964423066651525,second
+276,12.06,97,3.802844698711137e+17,3.4,1.2237754316221157,24.0,Ring,Acid,0,0.16657858915651144,0.14548196736379485,5.6,5.516273939623751,5.476759658883972,5.457772021528699,5.448601317346901,5.444160959215964,5.442016312007162,5.440978466848293,5.440474002606332,5.440229386384241,5.4401116413913515,0.16,0.07627393962375134,0.03675965888397263,0.017772021528699947,0.00860131734690118,0.00416095921596389,0.002016312007162531,0.0009784668482932292,0.000474002606331861,0.00022938638424044495,0.00011164139135166616,2.43,2.513726060376249,2.5532403411160276,2.5722279784713002,2.581398682653099,2.5858390407840366,2.5879836879928377,2.5890215331517075,2.5895259973936686,2.58977061361576,2.5898883586086487,second
+277,9.12,94,9.81196606878908e+16,4.5,1.5040773967762742,82.0,Linear,Base,1,0.18419647601597866,0.16241407649701442,4.45,4.072477722256224,3.786405093784965,3.5687763400054906,3.4043631824653957,3.2809187378114872,3.1870455710027303,3.114959596871054,3.060584039094505,3.0199302969338087,2.9891120616972193,4.54,4.54,4.54,4.54,4.54,4.54,4.54,4.54,4.54,4.54,4.54,1.72,2.097522277743776,2.3835949062150354,2.6012236599945098,2.7656368175346047,2.8890812621885127,2.9829544289972696,3.0550404031289458,3.109415960905495,3.1500697030661913,3.1808879383027806,first
+280,5.39,98,9.849758438253045e+16,3.9,1.3609765531356006,129.3,Unknown,Acid,0,0.051361923564196124,0.03650248733253075,4.83,4.788910461148643,4.7478209222972865,4.70673138344593,4.665641844594573,4.624552305743216,4.583462766891859,4.5423732280405025,4.501283689189146,4.460194150337788,4.419104611486431,2.7,2.7,2.7,2.7,2.7,2.7,2.7,2.7,2.7,2.7,2.7,3.98,4.021089538851356,4.062179077702714,4.103268616554071,4.144358155405428,4.185447694256784,4.226537233108141,4.267626771959498,4.308716310810855,4.3498058496622125,4.390895388513569,zero
+280,9.1,99,1.8629232463524886e+17,4.26,1.449269160281279,183.4,Unknown,Enzyme,0,0.06321958477486504,0.04900115820390683,3.55,2.411482316506728,1.949719895594169,1.684971607569755,1.5081425134041202,1.3787874523952435,1.2799335222712136,1.200058043348828,1.1342280641022822,1.0789322196401272,1.0314803212139254,1.67,1.100741158253364,0.8698599477970845,0.7374858037848775,0.6490712567020601,0.5843937261976218,0.5349667611356068,0.4950290216744139,0.46211403205114104,0.4344661098200636,0.4107401606069627,2.95,3.519258841746636,3.7501400522029154,3.8825141962151224,3.9709287432979394,4.035606273802378,4.085033238864393,4.124970978325586,4.157885967948859,4.185533890179936,4.209259839393037,third
+280,2.62,92,2.36202664449833e+17,0.75,-0.2876820724517809,93.9,Ring,Base,1,1.621267338257493,0.8809635156118524,7.45,2.0186392839296925,2.0201701488899624,2.0174306672982008,2.0183206514032577,2.019289595729647,2.0167358634677406,2.0196541143433717,2.018859131286858,2.016470337315087,2.019309180483051,3.05,3.05,3.05,3.05,3.05,3.05,3.05,3.05,3.05,3.05,3.05,4.78,7.4956803580351545,7.494914925555019,7.496284666350899,7.495839674298371,7.495355202135176,7.49663206826613,7.495172942828314,7.495570434356572,7.496764831342457,7.495345409758475,second
+273,1.27,95,3.5623072394437916e+16,0.51,-0.6733445532637656,52.9,Branched,None,1,0.023669304536608066,0.019058920574799472,9.82,9.668224332380262,9.521549086152744,9.379802645043096,9.242818898199076,9.110438631608014,8.98250758858087,8.85887625885937,8.739399878616023,8.623938430454102,8.51235664340766,1.42,1.42,1.42,1.42,1.42,1.42,1.42,1.42,1.42,1.42,1.42,2.07,2.221775667619738,2.368450913847256,2.510197354956903,2.6471811018009235,2.7795613683919855,2.9074924114191307,3.0311237411406293,3.1506001213839774,3.266061569545897,3.3776433565923396,first
+280,9.41,99,2.0878584219742474e+17,3.06,1.1184149159642893,35.8,Ring,Enzyme,0,0.07085291504325457,0.05188359486997416,4.32,2.5387230443951228,1.9921950921098865,1.7021442675122096,1.5145514295372533,1.3819394576572808,1.280911162128676,1.2006066534820075,1.1355304753693347,1.081215093749536,1.0345202257274828,2.0,1.1093615221975612,0.8360975460549431,0.6910721337561047,0.5972757147686265,0.5309697288286402,0.4804555810643378,0.44030332674100364,0.4077652376846672,0.3806075468747678,0.35726011286374126,0.22,1.1106384778024387,1.3839024539450568,1.5289278662438952,1.6227242852313735,1.6890302711713598,1.7395444189356624,1.7796966732589965,1.812234762315333,1.8393924531252324,1.8627398871362588,third
+275,10.39,91,4.37589098869036e+17,2.76,1.0152306797290584,43.6,Unknown,Acid,0,2.267383463259001,1.3396654528953453,6.4,1.0441490908487452,0.17051155406168883,0.02785795645963286,0.004552736708781888,0.0007442691308843178,0.00012136624571409981,2.0051145560579386e-05,3.3241946036847883e-06,7.112246308715459e-07,1.4529444717809544e-07,0.06,0.06,0.06,0.06,0.06,0.06,0.06,0.06,0.06,0.06,0.06,2.06,2.06,2.06,2.06,2.06,2.06,2.06,2.06,2.06,2.06,2.06,first
+278,7.45,93,4.1423523627090074e+17,3.37,1.2149127443642704,96.1,Unknown,Enzyme,0,1.3881544526112943,1.225158499807563,4.52,1.4894686868558489,0.4906834305793175,0.16173413225181008,0.05333247932765156,0.017594757084069077,0.005806246783832416,0.001915725748531639,0.0006317967759108721,0.0002084355557708055,6.89396561136386e-05,0.62,0.62,0.62,0.62,0.62,0.62,0.62,0.62,0.62,0.62,0.62,1.94,4.97053131314415,5.969316569420681,6.298265867748189,6.406667520672348,6.44240524291593,6.454193753216166,6.458084274251466,6.459368203224087,6.4597915644442265,6.459931060343884,first
+280,2.67,90,3.175219747945848e+16,1.8,0.5877866649021191,73.8,Branched,None,0,0.5145903943606905,0.3006678936405335,1.96,0.6063335929419773,0.43944249050701295,0.3618568512614177,0.31453708123951896,0.2822111165382643,0.2580526637557483,0.23908749617078248,0.2239256610997987,0.21138174828913187,0.20061571166315684,4.84,4.84,4.84,4.84,4.84,4.84,4.84,4.84,4.84,4.84,4.84,0.56,1.0112221356860076,1.0668525031643292,1.092714382912861,1.108487639586827,1.119262961153912,1.1273157787480839,1.1336375012764057,1.138691446300067,1.1428727505702894,1.1464614294456144,third
+273,8.77,91,2.1162147920016803e+17,2.96,1.085189268335969,162.3,Branched,None,1,0.8191892081754518,0.5275572380556411,7.38,1.6169339794222182,1.6155121687137786,1.6135429566749044,1.6146267330378803,1.616659164169616,1.6154266096233614,1.6141123198924474,1.6157757351100293,1.6171176694583926,1.6153807270394904,3.4,3.4,3.4,3.4,3.4,3.4,3.4,3.4,3.4,3.4,3.4,4.62,6.541022006859261,6.541495943762074,6.542152347775032,6.541791088987371,6.541113611943459,6.5415244634588765,6.541962560035848,6.541408088296653,6.5409607768472,6.541539757653501,third
+272,3.49,91,4.0440675969145504e+17,1.74,0.5538851132264376,32.5,Unknown,None,0,1.3509134688984406,0.840292450094451,7.34,4.661289083590132,4.650074366559739,4.650000532695934,4.649999347087233,4.650000284460218,4.649999717174089,4.6500001819204435,4.649999953845522,4.650000614772428,4.650000424945449,2.69,0.011289083590132651,7.436655973820197e-05,5.326959336920911e-07,-6.529127674832947e-07,2.8446021889975555e-07,-2.828259100210109e-07,1.8192044459326563e-07,-4.615447811387502e-08,6.147724275598814e-07,4.2494544959870794e-07,0.01,2.688710916409867,2.6999256334402615,2.6999994673040666,2.700000652912768,2.6999997155397817,2.700000282825911,2.699999818079556,2.7000000461544786,2.6999993852275734,2.699999575054551,second
+270,8.79,91,1.265984543403678e+17,3.07,1.1216775615991057,89.6,Ring,None,1,0.3138949025358919,0.1599252547310802,6.41,5.071881897749051,4.828474645850052,4.7751379123032915,4.7630727457824555,4.760412569773734,4.759755035485713,4.759481437375232,4.75960167609074,4.759566989066763,4.759539674522958,2.25,0.9118818977490522,0.6684746458500519,0.6151379123032913,0.6030727457824555,0.6004125697737329,0.5997550354857131,0.5994814373752311,0.5996016760907393,0.5995669890667624,0.5995396745229573,3.95,5.288118102250949,5.531525354149949,5.584862087696709,5.596927254217545,5.599587430226267,5.600244964514287,5.600518562624768,5.6003983239092605,5.600433010933237,5.600460325477043,second
+271,4.3,92,1.349560573534179e+17,0.67,-0.40047756659712525,164.0,Ring,Base,0,0.24932108479020582,0.12685948100300548,4.38,4.180543132167835,3.98108626433567,3.7816293965035057,3.582172528671341,3.3827156608391764,3.1832587930070115,2.9838019251748467,2.7843450573426822,2.584888189510518,2.385431321678354,2.45,2.45,2.45,2.45,2.45,2.45,2.45,2.45,2.45,2.45,2.45,2.41,2.6094568678321646,2.8089137356643294,3.008370603496494,3.2078274713286588,3.407284339160823,3.606741206992988,3.8061980748251525,4.005654942657317,4.205111810489481,4.404568678321646,zero
+273,11.97,97,4.337345792423918e+17,1.59,0.4637340162321402,166.4,Branched,Enzyme,0,0.11939688462056121,0.08784749660893051,2.54,2.3086119918893075,2.0983033227808896,1.9070945210422723,1.7332232315852838,1.575217030795803,1.4316877604476423,1.301327945222054,1.1829107927077285,1.0752901934007966,0.977400720704827,3.53,3.53,3.53,3.53,3.53,3.53,3.53,3.53,3.53,3.53,3.53,2.35,2.5813880081106926,2.7916966772191105,2.982905478957728,3.156776768414716,3.314782969204197,3.458312239552358,3.588672054777946,3.7070892072922716,3.8147098065992036,3.912599279295173,first
+280,1.57,93,4.8410283973218566e+17,3.34,1.205970806988609,111.7,Ring,Acid,0,2.1624618181583632,1.7980466366195478,8.91,1.5802473703613074,0.2804281967662861,0.04983208101862481,0.00885880713270092,0.0015728777202539514,0.00027894089502146507,4.9914377890414405e-05,8.933438830000877e-06,1.7265753822832861e-06,3.861986816148449e-07,4.99,4.99,4.99,4.99,4.99,4.99,4.99,4.99,4.99,4.99,4.99,3.93,11.259752629638694,12.559571803233716,12.790167918981377,12.831141192867301,12.838427122279748,12.839721059104981,12.839950085622112,12.83999106656117,12.83999827342462,12.83999961380132,first
+276,6.53,99,2.5062411692467824e+17,3.62,1.2864740258376797,105.8,Ring,Acid,0,0.045920635998718075,0.028112503602600952,5.4,1.9853213966017464,1.4530759278813592,1.201645801423506,1.0468081077861788,0.9402267878750018,0.859924125566644,0.7978721188592088,0.7477065499093476,0.7055028187815338,0.6697220605632603,1.75,1.75,1.75,1.75,1.75,1.75,1.75,1.75,1.75,1.75,1.75,3.72,4.8582262011327515,5.035641357372881,5.119451399525499,5.171063964071274,5.206591070708334,5.233358624811119,5.254042627046931,5.270764483363552,5.28483239373949,5.29675931314558,third
+280,4.01,90,2.219196466561522e+16,3.58,1.275362800412609,153.6,Linear,Base,0,0.3596529612259203,0.22706270293027317,5.84,5.552277631019264,5.264555262038527,4.976832893057791,4.689110524077055,4.401388155096319,4.113665786115582,3.825943417134846,3.5382210481541088,3.250498679173372,2.9627763101926345,0.16,0.16,0.16,0.16,0.16,0.16,0.16,0.16,0.16,0.16,0.16,0.84,1.1277223689807363,1.4154447379614725,1.703167106942209,1.9908894759229452,2.2786118449036814,2.566334213884418,2.8540565828651543,3.1417789518458914,3.429501320826628,3.7172236898073656,zero
+275,5.32,95,5.37735943795553e+16,2.25,0.8109302162163288,99.6,Branched,None,1,0.04844216276352248,0.03990084792527371,2.08,1.3906122680633306,1.1634049876405608,1.0695707367680356,1.0264837740660269,1.0067719117588536,0.9967240043025334,0.9924106385858776,0.9898110714417603,0.988755317907212,0.9884122936937614,4.79,4.445306134031665,4.331702493820281,4.284785368384018,4.263241887033013,4.253385955879426,4.248362002151266,4.2462053192929385,4.244905535720879,4.2443776589536055,4.24420614684688,4.48,4.824693865968335,4.93829750617972,4.985214631615983,5.006758112966987,5.016614044120574,5.021637997848734,5.023794680707062,5.025094464279121,5.025622341046395,5.025793853153121,third
+271,11.29,95,1.7436856483529942e+17,2.97,1.0885619528146082,102.8,Ring,None,0,0.08506887450303462,0.0673340259625732,7.9,3.8148753216695708,2.512961289812608,1.8740013167952079,1.495580371008614,1.2422326415265632,1.0637917481482668,0.9297950913780357,0.8252175026310362,0.7422765113995641,0.6745039755836376,2.55,2.55,2.55,2.55,2.55,2.55,2.55,2.55,2.55,2.55,2.55,2.33,4.372562339165215,5.023519355093696,5.342999341602396,5.532209814495693,5.658883679236718,5.748104125925867,5.815102454310981,5.8673912486844815,5.908861744300218,5.942748012208181,second
+277,1.16,92,3.144855904821377e+16,0.94,-0.06187540371808753,168.1,Branched,Base,1,0.1406970744868228,0.10620413587225307,1.01,0.947700928005302,0.8965709371713959,0.8544946632356847,0.8198668596734237,0.7915762154614534,0.7685529430071254,0.7497628891938036,0.734214177559255,0.7213470957412024,0.7107872136958319,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.53,0.592299071994698,0.6434290628286041,0.6855053367643154,0.7201331403265764,0.7484237845385466,0.7714470569928746,0.7902371108061964,0.805785822440745,0.8186529042587977,0.8292127863041682,first
+275,11.55,92,3.505572187358494e+17,2.94,1.0784095813505903,149.3,Ring,Base,0,1.1729145921898436,0.9445405827877291,1.49,0.4063940544859601,0.2927041093376398,0.2406621065960044,0.2090517802528091,0.1874096533892559,0.17120502663208267,0.15873058224478998,0.14863182875742553,0.14017031256962054,0.13300715149822634,2.09,2.09,2.09,2.09,2.09,2.09,2.09,2.09,2.09,2.09,2.09,3.95,4.311201981838013,4.349098630220786,4.3664459644679985,4.3769827399157295,4.384196782203581,4.389598324455973,4.39375647258507,4.3971227237475246,4.39994322914346,4.402330949500591,third
+278,6.3,100,1.5324287728715635e+17,2.4,0.8754687373538999,108.7,Branched,None,1,0.02484636303328866,0.01948612825873879,2.15,2.0359374061968145,1.9404559644135972,1.8597935363266174,1.790862751163178,1.7321430773286741,1.6822964529282953,1.63997387566535,1.6038154028412654,1.5724501513555875,1.5445145520749295,0.02,0.02,0.02,0.02,0.02,0.02,0.02,0.02,0.02,0.02,0.02,1.89,1.9470312969015926,1.9947720177932011,2.0351032318366915,2.069568624418411,2.098928461335663,2.1238517735358524,2.145013062167325,2.1630922985793672,2.1787749243222065,2.1927427239625352,second
+270,13.12,92,1.1369229026438446e+17,4.6,1.5260563034950492,147.8,Branched,Acid,0,0.18055863296726554,0.12557786271092644,4.86,1.0512809339221623,0.7517665872299549,0.6165998595708343,0.5347804437714686,0.47918598331266227,0.4374868494772032,0.4053863558327419,0.3795699942756812,0.3578904898010233,0.33954069673574233,0.59,0.59,0.59,0.59,0.59,0.59,0.59,0.59,0.59,0.59,0.59,1.11,2.3795730220259457,2.4794111375900147,2.524466713476388,2.5517398520761767,2.570271338895779,2.584171050174265,2.594871214722419,2.6034766685747726,2.610703170066325,2.6168197677547522,third
+271,12.99,96,3.106171527710018e+17,3.49,1.2499017362143359,184.2,Linear,Acid,0,0.0972239402048062,0.07439864485900666,8.19,7.577131414594997,7.010125366518529,6.4855216874338035,6.000083575729625,5.550981115937406,5.135558199699886,4.751307679244978,4.395871367385766,4.067040037520506,3.7627534236326277,4.16,4.16,4.16,4.16,4.16,4.16,4.16,4.16,4.16,4.16,4.16,4.8,4.8,4.8,4.8,4.8,4.8,4.8,4.8,4.8,4.8,4.8,first
+272,11.84,91,9.288903125927682e+16,3.81,1.3376291891386096,91.7,Branched,Enzyme,0,0.31029412944735396,0.18099677036769699,3.31,2.3936987721181313,2.258856874661466,2.2241296634812886,2.214172587222165,2.211238378132845,2.2103682342798323,2.2101094973842397,2.2100325835906145,2.2100101485922594,2.2100030655429714,0.55,0.09184938605906581,0.024428437330733133,0.007064831740644564,0.0020862936110827316,0.0006191890664225413,0.00018411713991627496,5.4748692119998966e-05,1.629179530733686e-05,5.07429612979356e-06,1.5327714859662035e-06,0.18,0.6381506139409343,0.705571562669267,0.7229351682593556,0.7279137063889174,0.7293808109335775,0.7298158828600839,0.7299452513078801,0.7299837082046928,0.7299949257038704,0.7299984672285141,third
+273,13.37,94,3.5362766461108595e+17,1.72,0.5423242908253617,115.8,Unknown,Base,1,0.36504209235504903,0.24645281065094285,6.49,1.5471960177120874,1.5442442527000746,1.5455112856902806,1.546231227218673,1.5470505065070057,1.5468625215181278,1.5475613291557047,1.54730048788571,1.5469014879570477,1.5459987362229735,0.75,0.75,0.75,0.75,0.75,0.75,0.75,0.75,0.75,0.75,0.75,3.82,5.467601327429304,5.468585249099975,5.4681629047699065,5.467922924260442,5.467649831164331,5.4677124928272915,5.467479556948099,5.467566504038097,5.467699504014317,5.468000421259008,third
+277,2.64,98,4.550832155702367e+17,1.12,0.11332868530700327,112.9,Unknown,None,1,0.1504173815914013,0.07616164577632616,4.13,2.4068718939216236,1.9344262483732615,1.7631461662494692,1.6949714472275152,1.6658200702598411,1.6539210474479968,1.6485386912782307,1.6467023377615824,1.6455253425247112,1.645153484003668,1.1,1.1,1.1,1.1,1.1,1.1,1.1,1.1,1.1,1.1,1.1,4.1,4.961564053039188,5.197786875813368,5.283426916875265,5.317514276386242,5.332089964870079,5.338039476276001,5.340730654360884,5.341648831119208,5.342237328737644,5.342423257998166,second
+279,3.49,98,3.466134666262475e+17,3.91,1.3635373739972745,37.4,Linear,Enzyme,1,0.1554287805157447,0.08199695649918566,8.9,1.3686602702135684,1.2108062091867644,1.1830965210375868,1.1778264070730202,1.1765536513657242,1.1761080467948941,1.1764253401700484,1.1755907945562887,1.1757630398354437,1.1775925788816302,0.75,0.75,0.75,0.75,0.75,0.75,0.75,0.75,0.75,0.75,0.75,0.51,3.020446576595477,3.073064596937745,3.0823011596541376,3.0840578643089933,3.0844821162114253,3.0846306510683683,3.0845248866099837,3.084803068481237,3.084745653388185,3.0841358070394564,third
+276,7.06,100,2.1924567986495412e+16,2.45,0.8960880245566357,97.7,Unknown,None,0,0.002598084678516294,0.0016745782469439075,6.02,6.017016475310986,6.014071481992165,6.01116448683597,6.008294964824005,6.005462399004802,6.002666280776138,5.999906109140513,5.997181390608674,5.994491639199618,5.99183637644059,0.24,0.23701647531098663,0.23407148199216485,0.23116448683597013,0.22829496482400588,0.22546239900480242,0.22266628077613887,0.21990610914051364,0.2171813906086744,0.21449163919961808,0.21183637644059097,4.8,4.802983524689013,4.805928518007835,4.80883551316403,4.8117050351759945,4.814537600995197,4.817333719223861,4.820093890859487,4.822818609391326,4.825508360800382,4.828163623559409,second
+274,12.63,92,4.796020188944058e+17,3.95,1.3737155789130306,25.3,Branched,Acid,0,1.385508860693664,0.7057463834728894,5.27,1.7389340205041561,0.5740622046787149,0.18974000367677943,0.06274310275146172,0.020745103683239688,0.006854210419682519,0.002263978411015846,0.0007477937473138593,0.00024701138294797183,8.191403564277725e-05,4.19,4.19,4.19,4.19,4.19,4.19,4.19,4.19,4.19,4.19,4.19,0.45,3.981065979495843,5.145937795321284,5.53025999632322,5.657256897248538,5.69925489631676,5.7131457895803175,5.717736021588984,5.719252206252686,5.719752988617052,5.719918085964357,first
+271,8.96,100,2.156424591538656e+17,0.93,-0.07257069283483537,48.3,Ring,Acid,1,0.011435712192856334,0.006785196483072405,1.33,1.3195715669098593,1.3094145518933964,1.299520048901985,1.2898795056146235,1.280484778057544,1.27132804181781,1.2624017648354897,1.253698707403658,1.2452119221683942,1.2369347541287836,0.98,0.969571566909859,0.9594145518933962,0.9495200489019847,0.9398795056146232,0.9304847780575438,0.9213280418178097,0.9124017648354896,0.9036987074036578,0.8952119221683941,0.8869347541287835,0.25,0.2604284330901409,0.2705854481066037,0.2804799510980152,0.29012049438537674,0.2995152219424561,0.30867195818219023,0.3175982351645103,0.3263012925963421,0.3347880778316059,0.34306524587121645,second
+278,3.66,94,2.8454778536936096e+17,4.62,1.5303947050936475,124.7,Ring,None,1,0.618649671836687,0.3471539781191368,4.9,1.602834889581481,1.5428028074330022,1.5405793021334284,1.5399840912649865,1.5395851267047134,1.5392717571660777,1.5392019735326883,1.5396105597961327,1.5398472525832456,1.5409588444304518,4.85,4.85,4.85,4.85,4.85,4.85,4.85,4.85,4.85,4.85,4.85,2.55,4.198582555209259,4.228598596283499,4.229710348933286,4.230007954367506,4.2302074366476425,4.230364121416961,4.230399013233655,4.230194720101934,4.230076373708377,4.229520577784774,second
+272,13.59,94,4.375798664717573e+17,0.73,-0.31471074483970024,66.1,Linear,Enzyme,1,0.3879076068598806,0.22216566733049864,7.72,6.115320328777935,5.129632980776086,4.526020473378859,4.155003249027454,3.9271479202625437,3.7880910734090696,3.7011944682141724,3.6495290543511305,3.617212302182395,3.597118240590494,0.76,0.76,0.76,0.76,0.76,0.76,0.76,0.76,0.76,0.76,0.76,2.07,3.674679671222064,4.660367019223913,5.26397952662114,5.634996750972545,5.862852079737456,6.00190892659093,6.088805531785827,6.140470945648869,6.172787697817604,6.192881759409505,first
+273,6.82,95,3.207284743512841e+17,4.09,1.4085449700547104,148.9,Ring,Acid,0,0.21310402002741163,0.18792901049975905,7.5,1.432494598583633,0.9661300589350015,0.7581084165607822,0.6348619844491303,0.5507016592687686,0.4894878782330053,0.442423626794902,0.4044844117289504,0.3734032646195167,0.3473387103269146,4.16,1.1262472992918164,0.8930650294675008,0.7890542082803912,0.7274309922245652,0.6853508296343843,0.6547439391165027,0.6312118133974511,0.6122422058644753,0.5967016323097585,0.5836693551634574,4.73,7.763752700708183,7.996934970532499,8.100945791719608,8.162569007775435,8.204649170365617,8.235256060883497,8.258788186602548,8.277757794135525,8.293298367690241,8.306330644836542,third
+273,6.29,97,3.7688883811547744e+17,4.41,1.4838746894587547,169.6,Linear,None,1,0.1037485948154095,0.07085600045721442,3.66,1.5745465693883234,1.4015062871664976,1.3649588493584794,1.3560126709700917,1.3538813301239458,1.3537154676937693,1.3530425913608315,1.3534805560585417,1.353519002776664,1.3533654391760739,4.7,4.7,4.7,4.7,4.7,4.7,4.7,4.7,4.7,4.7,4.7,2.86,3.555151143537226,3.612831237611168,3.625013716880507,3.627995776343303,3.6287062232920184,3.628761510768744,3.6289858028797233,3.628839814647153,3.6288269990744455,3.628878186941309,third
+271,8.84,96,1.8374913715045216e+17,3.74,1.3190856114264407,144.5,Ring,Acid,1,0.057513936251198855,0.03577539650822815,8.68,2.0929224627737026,1.7561319554490216,1.6698371559982843,1.6437966690211951,1.635779905439194,1.6324855094021598,1.6321417151480477,1.6312845087740246,1.6314252713719715,1.6316977083841693,1.27,1.27,1.27,1.27,1.27,1.27,1.27,1.27,1.27,1.27,1.27,4.63,6.825692512408764,6.937956014850325,6.966720948000571,6.975401110326267,6.978073364853601,6.979171496865946,6.97928609495065,6.979571830408657,6.979524909542675,6.979434097205275,third
+279,9.37,91,2.4988266871907734e+17,2.9,1.0647107369924282,69.8,Branched,Acid,0,2.29095205179268,1.1674960519591815,7.67,0.3020770649295451,0.21357419830413707,0.17448833401453412,0.15102092061320646,0.1351740152950303,0.12331058341488739,0.1141911145952315,0.1068785934084528,0.10074291606918377,0.09555196214442863,2.03,2.03,2.03,2.03,2.03,2.03,2.03,2.03,2.03,2.03,2.03,1.89,4.345974311690151,4.375475267231954,4.3885038886618215,4.396326359795597,4.401608661568322,4.405563138861703,4.408602961801589,4.411040468863848,4.413085694643605,4.414816012618522,third
+275,6.85,97,3.8392787737468883e+17,4.1,1.410986973710262,134.7,Branched,Acid,0,0.14421223049024337,0.1038692597886954,8.24,1.1919422802121347,0.8473283035458378,0.6927638987739145,0.6008885425335876,0.5373370356606124,0.4910206427472734,0.4546663065620322,0.42524159262607797,0.4009611920026736,0.38040280508091606,2.68,2.68,2.68,2.68,2.68,2.68,2.68,2.68,2.68,2.68,2.68,3.42,5.769352573262622,5.884223898818054,5.935745367075362,5.966370485822138,5.987554321446463,6.002993119084242,6.01511123114599,6.024919469124641,6.033012935999109,6.039865731639695,third
+274,6.18,92,9.754465952896162e+16,2.33,0.8458682675776092,97.8,Linear,Enzyme,0,0.2817940391541154,0.17538238978093418,5.39,3.2353869334495684,2.552178933704602,2.236393432837115,2.0658120886565663,1.9653852305477777,1.9035122413268093,1.8643268185659894,1.8389937931966127,1.8224393445477287,1.8115691699003034,3.6,1.4453869334495681,0.7621789337046019,0.4463934328371148,0.275812088656566,0.1753852305477776,0.11351224132680907,0.0743268185659891,0.04899379319661251,0.03243934454772844,0.021569169900303227,2.62,4.774613066550432,5.457821066295398,5.773606567162886,5.944187911343435,6.044614769452223,6.106487758673191,6.145673181434011,6.171006206803388,6.187560655452272,6.1984308300996975,second
+274,7.96,94,4.7082817403698464e+17,1.58,0.4574248470388755,83.4,Ring,Base,1,0.5653302605818905,0.4606825390551513,2.29,1.2510975103374442,1.189991659525229,1.185191763965309,1.1846539576898654,1.184089122334604,1.1859729874586988,1.184494335905127,1.1843510402946733,1.1851086819019199,1.1852905720181097,1.24,1.24,1.24,1.24,1.24,1.24,1.24,1.24,1.24,1.24,1.24,1.17,1.689451244831278,1.7200041702373856,1.7224041180173455,1.7226730211550674,1.722955438832698,1.7220135062706505,1.7227528320474363,1.7228244798526633,1.72244565904904,1.722354713990945,second
+272,3.31,90,1.8538640037713568e+17,1.64,0.494696241836107,108.1,Branched,Enzyme,1,0.9636804551041667,0.5572455620520785,7.59,5.125122173587572,5.1251636843633115,5.1250015532546795,5.125400108766057,5.125063429449053,5.124979739089764,5.125204180882345,5.124972878911689,5.125320933730683,5.125119324250995,1.31,0.07756108679378608,0.07758184218165601,0.07750077662734,0.07770005438302859,0.07753171472452741,0.0774898695448824,0.07760209044117224,0.07748643945584403,0.07766046686534256,0.0775596621254983,2.29,3.522438913206214,3.522418157818344,3.52249922337266,3.5222999456169717,3.5224682852754734,3.522510130455118,3.5223979095588276,3.5225135605441555,3.5223395331346583,3.5224403378745026,third
+276,4.25,96,4.6203547326543296e+17,1.0,0.0,199.7,Linear,Acid,1,0.31293107151430705,0.1571975079358955,8.58,7.204679634046859,6.260384285126387,5.610499453876127,5.168145937078178,4.862640363279746,4.6519496850914805,4.509296938218251,4.4104428753155425,4.342238324554277,4.295620961715038,1.77,1.77,1.77,1.77,1.77,1.77,1.77,1.77,1.77,1.77,1.77,3.96,5.33532036595314,6.2796157148736125,6.929500546123872,7.371854062921821,7.6773596367202535,7.888050314908519,8.030703061781749,8.129557124684457,8.197761675445722,8.244379038284961,first
+273,3.72,99,2.9715479369672454e+17,4.93,1.5953389880545987,31.8,Branched,Enzyme,1,0.03388960539316764,0.025017963414239057,4.75,3.940449750016834,3.4282641170464214,3.0800703160392913,2.8391258404784945,2.6645888767948227,2.5351198130504,2.4400061814291,2.368918634130349,2.3139647361857496,2.2720304454509206,4.73,4.73,4.73,4.73,4.73,4.73,4.73,4.73,4.73,4.73,4.73,4.84,5.244775124991582,5.5008679414767885,5.674964841980354,5.795437079760752,5.882705561602588,5.9474400934748,5.994996909285449,6.030540682934825,6.058017631907125,6.078984777274539,second
+271,7.48,100,2.272791430460614e+17,4.92,1.5933085305042167,74.0,Unknown,Enzyme,1,0.012052815932039012,0.0073227846057085325,1.94,1.9488403506610585,1.9570594365026819,1.9646951506003556,1.971784099138337,1.9783615429057184,1.9844601962558022,1.990111315474932,1.9953448658738393,2.000189521787646,2.0046726665758623,0.4,0.40442017533052926,0.40852971825134093,0.41234757530017785,0.4158920495691687,0.41918077145285926,0.4222300981279012,0.425055657737466,0.4276724329369198,0.43009476089382315,0.4323363332879312,3.26,3.2555798246694705,3.251470281748659,3.247652424699822,3.244107950430831,3.2408192285471404,3.2377699018720985,3.234944342262534,3.2323275670630798,3.2299052391061767,3.2276636667120684,third
+280,5.8,97,2.3509980380319212e+16,3.61,1.2837077723447896,21.0,Linear,Base,0,0.018837661586487666,0.010126412571402985,2.86,2.8172225704915657,2.7750849692251256,2.733577626140075,2.692691109807746,2.652416137279544,2.612743567232748,2.5736643901732315,2.535169728435463,2.4972508361825065,2.4598990994060226,4.46,4.46,4.46,4.46,4.46,4.46,4.46,4.46,4.46,4.46,4.46,1.79,1.832777429508434,1.8749150307748743,1.916422373859925,1.957308890192254,1.9975838627204556,2.0372564327672515,2.0763356098267685,2.114830271564537,2.152749163817493,2.1901009005939773,first
+275,7.84,95,3.4789635213365466e+17,4.57,1.5195132049061133,151.2,Branched,None,1,0.3134038538681297,0.21068105318980718,4.27,3.561260972577185,3.5519435999132947,3.5515525106931913,3.5514415871210625,3.551442977236798,3.5521013447820766,3.5516974806240524,3.551256578952089,3.5515443512499534,3.5518153455440324,0.56,0.20563048628859243,0.20097179995664732,0.20077625534659563,0.2007207935605312,0.20072148861839903,0.2010506723910383,0.20084874031202637,0.2006282894760445,0.2007721756249769,0.2009076727720164,3.41,3.7643695137114075,3.7690282000433526,3.769223744653404,3.7692792064394682,3.7692785113816005,3.768949327608961,3.769151259687973,3.769371710523955,3.7692278243750224,3.769092327227983,third
+277,1.96,91,3.7885340771456346e+17,0.59,-0.527632742082372,60.0,Unknown,Base,1,2.6165861145652562,2.2558660171593727,7.69,7.746131798531567,7.746419068860617,7.746101611742589,7.746305507400702,7.746400643834081,7.746165760999202,7.746429304234658,7.745964771640117,7.7463361565161675,7.746216972630823,0.15,0.20613179853156624,0.2064190688606161,0.20610161174258748,0.2063055074007004,0.20640064383408058,0.20616576099920234,0.20642930423465802,0.20596477164011642,0.20633615651616713,0.20621697263082261,1.91,1.8538682014684338,1.853580931139384,1.8538983882574127,1.8536944925992997,1.8535993561659196,1.8538342390007976,1.8535706957653417,1.8540352283598833,1.8536638434838324,1.8537830273691769,second
+271,13.11,93,1.062149399822292e+17,1.02,0.01980262729617973,107.2,Unknown,Base,1,0.1258918231880821,0.10305357836509983,4.92,1.6404515107275115,1.538117155749768,1.5272482247860055,1.5259740565336184,1.526125426381704,1.5259035222831816,1.5255758630294112,1.5274354609615184,1.524627641639079,1.527438891637411,3.06,3.06,3.06,3.06,3.06,3.06,3.06,3.06,3.06,3.06,3.06,3.21,4.303182829757496,4.337294281416744,4.340917258404665,4.34134198115546,4.3412915245394315,4.3413654925722724,4.34147471232353,4.3408548463461605,4.341790786120307,4.34085370278753,third
+271,4.73,98,2.819283157579156e+17,1.91,0.6471032420585384,40.7,Linear,Base,0,0.03632261094800385,0.02891968275058791,2.37,2.302123287777027,2.236190564267853,2.172146148994045,2.1099358365497154,2.0495072014598876,1.9908093389132833,1.933792697085899,1.8784090771410056,1.824611633229148,1.7723548724881462,0.96,0.96,0.96,0.96,0.96,0.96,0.96,0.96,0.96,0.96,0.96,3.38,3.447876712222973,3.513809435732147,3.577853851005955,3.6400641634502846,3.7004927985401124,3.7591906610867167,3.8162073029141013,3.8715909228589944,3.925388366770852,3.977645127511854,first
+270,3.7,92,4.094407338173678e+17,3.42,1.2296405510745139,29.6,Ring,Base,0,0.6502468989520996,0.4230897959926376,3.67,1.4739215590888777,1.0000196121070564,0.7970393892055461,0.6868555942445799,0.6189959020080981,0.5740828857205319,0.5428690908450288,0.5205577967463626,0.5040600205938938,0.49173619683967373,3.22,1.023921559088878,0.5500196121070564,0.3470393892055462,0.23685559424458008,0.16899590200809828,0.12408288572053211,0.09286909084502896,0.07055779674636273,0.05406002059389392,0.04173619683967388,2.38,4.576078440911122,5.049980387892943,5.252960610794453,5.36314440575542,5.431004097991901,5.475917114279468,5.507130909154971,5.5294422032536374,5.545939979406106,5.558263803160326,second
+278,6.7,97,3.731551237408776e+17,4.31,1.4609379041156563,150.0,Linear,Base,0,0.22155189148084808,0.13778495461377668,5.97,4.433021932141504,3.882600948695777,3.634332633937541,3.510758130616689,3.4460541273657084,3.411436444583546,3.392721594779554,3.382460300934285,3.376853076365055,3.3737714479495904,2.6,1.0630219321415035,0.5126009486957772,0.26433263393754103,0.14075813061668938,0.07605412736570868,0.04143644458354673,0.02272159477955431,0.012460300934285509,0.006853076365055374,0.0037714479495907912,0.6,2.136978067858496,2.6873990513042227,2.935667366062459,3.0592418693833108,3.1239458726342915,3.1585635554164537,3.177278405220446,3.1875396990657148,3.193146923634945,3.1962285520504095,second
+270,3.94,90,2.824740776616752e+17,4.26,1.449269160281279,97.9,Linear,Base,0,1.0934604411817903,0.9142212504042369,8.92,3.7203708715180177,1.5518877698207625,0.6472465608872381,0.27001786768741676,0.1126748095694646,0.047029666038186826,0.019633828027171923,0.008197672577183351,0.0034228818885509204,0.00142874334708527,2.56,2.56,2.56,2.56,2.56,2.56,2.56,2.56,2.56,2.56,2.56,4.09,9.28962912848198,11.458112230179236,12.362753439112762,12.739982132312582,12.897325190430534,12.962970333961811,12.990366171972827,13.001802327422816,13.006577118111448,13.008571256652914,first
+278,8.38,97,3.150571459329971e+17,4.71,1.5496879080283263,156.0,Linear,Base,0,0.18705761267928864,0.13686678558295123,5.68,4.89054684063149,4.210827848860512,3.6246810733108688,3.1189950388065437,2.6842303030215,2.3113141588376482,1.991602480448773,1.7168797233605244,1.4793590428484613,1.2737468454182501,1.43,1.43,1.43,1.43,1.43,1.43,1.43,1.43,1.43,1.43,1.43,3.2,3.2,3.2,3.2,3.2,3.2,3.2,3.2,3.2,3.2,3.2,first
+276,9.21,92,3.8392792783132845e+17,4.01,1.3887912413184778,91.5,Branched,Base,1,1.4861894755924108,1.0620835822778647,4.54,1.871902812235431,1.871216490941149,1.872555277634131,1.872364852477802,1.8737579541949732,1.8738855385775908,1.8742335234704124,1.8742000118939037,1.8735507013779205,1.8725531403654823,3.74,3.74,3.74,3.74,3.74,3.74,3.74,3.74,3.74,3.74,3.74,3.57,4.904048593882284,4.904391754529425,4.903722361182934,4.903817573761099,4.903121022902515,4.903057230711206,4.9028832382647956,4.902899994053049,4.903224649311041,4.903723429817261,second
+276,2.88,99,1.2231841408812333e+17,1.03,0.02955880224154443,183.2,Ring,None,1,0.02241180712456845,0.014616415844646234,4.94,4.271682020881173,3.786937579738467,3.4206807919275133,3.1394386018312694,2.9203707695966723,2.743313596965459,2.5977745315208423,2.478703471985662,2.380541086957699,2.298638692977744,4.34,4.34,4.34,4.34,4.34,4.34,4.34,4.34,4.34,4.34,4.34,3.57,3.9041589895594133,4.1465312101307665,4.329659604036243,4.470280699084364,4.579814615201664,4.66834320151727,4.741112734239578,4.800648264007169,4.84972945652115,4.890680653511128,second
+280,13.39,99,2.6286260576690848e+17,4.12,1.415853163361435,46.5,Unknown,Base,0,0.08920423759787391,0.04973715786048254,2.18,0.9855827367620601,0.6547290722898034,0.49380360020722824,0.3978467085278571,0.33386033857322495,0.2879421141863412,0.25307555930496045,0.2261079188086415,0.20442122111584485,0.18643015526972423,4.3,3.7027913683810296,3.537364536144901,3.4569018001036134,3.4089233542639277,3.3769301692866116,3.35397105709317,3.3365377796524793,3.32305395940432,3.312210610557922,3.3032150776348614,1.03,1.6272086316189698,1.7926354638550983,1.8730981998963858,1.9210766457360713,1.9530698307133874,1.9760289429068292,1.9934622203475196,2.006946040595679,2.0177893894420773,2.0267849223651377,third
+280,1.73,92,2.3135319468627674e+17,0.96,-0.040821994520255166,117.7,Linear,None,0,1.5879811475456564,0.9518211617278232,1.05,0.29518569343009937,0.08287531539081239,0.02330241385091505,0.006557690596257192,0.0018414219433437948,0.0005172442579698723,0.00014551845125989428,4.096917413181355e-05,1.1438034362076852e-05,3.3598161141875816e-06,1.8,1.8,1.8,1.8,1.8,1.8,1.8,1.8,1.8,1.8,1.8,4.92,5.6748143065699015,5.887124684609188,5.946697586149085,5.963442309403744,5.968158578056657,5.969482755742031,5.969854481548741,5.969959030825869,5.969988561965639,5.969996640183887,first
+278,7.17,97,2.276270902219215e+17,3.25,1.1786549963416462,90.4,Unknown,None,1,0.13514811718348071,0.09029891358232602,8.71,7.537415733247723,7.1122983539304805,6.940655430156575,6.868282056484146,6.837122482558469,6.8235796257567864,6.8178113030303775,6.815216915356384,6.814162852088316,6.813658825929588,2.12,0.9474157332477223,0.5222983539304795,0.3506554301565735,0.27828205648414506,0.24712248255846758,0.23357962575678518,0.22781130303037686,0.22521691535638302,0.22416285208831419,0.22365882592958702,0.38,1.5525842667522776,1.9777016460695207,2.149344569843427,2.221717943515855,2.2528775174415325,2.266420374243215,2.2721886969696232,2.2747830846436172,2.275837147911686,2.276341174070413,second
+275,6.57,95,3.211505806803893e+17,2.84,1.0438040521731147,179.0,Linear,Acid,0,0.2893098160987734,0.19919355157021695,4.23,1.4320954765390308,0.8625943125139265,0.6168501931306125,0.48047263474661767,0.3932182072559085,0.33303529228547235,0.28846194899808164,0.25474412878493546,0.22805773010724262,0.2062813024332049,4.93,4.93,4.93,4.93,4.93,4.93,4.93,4.93,4.93,4.93,4.93,0.95,2.348952261730485,2.6337028437430368,2.756574903434694,2.8247636826266915,2.8683908963720457,2.8984823538572644,2.9207690255009595,2.9376279356075328,2.9509711349463794,2.961859348783398,second
+275,7.19,98,4.688473195773266e+16,1.28,0.2468600779315258,60.2,Unknown,Base,1,0.011371895966111503,0.005755192726190306,6.32,4.807849447120283,4.047966883409593,3.571625477521938,3.2410100323176256,3.0003069102696887,2.8135570304448345,2.6646604553937685,2.544781388862345,2.4461890415483936,2.362819415353775,3.26,2.503924723560141,2.1239834417047962,1.8858127387609687,1.7205050161588125,1.600153455134844,1.506778515222417,1.432330227696884,1.3723906944311721,1.3230945207741964,1.281409707676887,3.82,4.576075276439858,4.956016558295203,5.194187261239031,5.359494983841187,5.479846544865155,5.573221484777582,5.647669772303115,5.707609305568827,5.756905479225802,5.798590292323111,third
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+278,2.63,91,3.02032524215795e+17,2.18,0.7793248768009977,74.0,Linear,Enzyme,0,2.40462198481289,1.2507308335640288,8.58,5.1301079708662,5.12999954922118,5.130000473048722,5.129999772378306,5.1300001773540025,5.13000060354042,5.130000077255372,5.130001357959559,5.13000003510517,5.1300017674618426,3.45,0.00010797086620023664,-4.5077882038747556e-07,4.730487215877549e-07,-2.2762169513118548e-07,1.7735400083040737e-07,6.03540419469426e-07,7.725537089051166e-08,1.3579595581266558e-06,3.5105168737852726e-08,1.767461842093448e-06,3.84,7.2898920291338,7.29000045077882,7.289999526951278,7.290000227621694,7.289999822645997,7.28999939645958,7.289999922744628,7.289998642040441,7.28999996489483,7.289998232538157,second
+271,8.84,96,2.704894101347477e+17,3.3,1.1939224684724346,24.8,Ring,Enzyme,0,0.08466385710631338,0.06660394644570114,5.29,1.5073445820257054,1.0875984126604639,0.8948214507913279,0.7771501592722365,0.6971598060836646,0.6368862113366862,0.5902797981747199,0.5529305495407506,0.521569082303238,0.4949288631769625,0.45,0.45,0.45,0.45,0.45,0.45,0.45,0.45,0.45,0.45,0.45,4.76,6.020885139324766,6.160800529113179,6.225059516402891,6.264283280242588,6.2909467313054455,6.3110379295544385,6.326573400608427,6.339023150153084,6.349476972565588,6.35835704560768,third
+277,4.52,90,1.4156925326987288e+17,3.31,1.1969481893889715,111.3,Branched,Base,1,1.509427624928446,1.0923618990161714,6.76,3.8915764041172562,3.891036839366947,3.8914472178900645,3.891226550741129,3.8913557725460133,3.891135163764891,3.8911926857384875,3.8915133593148115,3.8910268948676774,3.891681331643901,1.65,0.21578820205862806,0.21551841968347352,0.21572360894503229,0.21561327537056435,0.21567788627300657,0.2155675818824453,0.21559634286924345,0.21575667965740544,0.21551344743383852,0.2158406658219505,3.08,4.514211797941372,4.514481580316526,4.514276391054968,4.5143867246294365,4.514322113726994,4.514432418117555,4.514403657130757,4.514243320342594,4.514486552566161,4.514159334178048,third
+273,9.31,91,1.505495318943666e+17,2.81,1.0331844833456545,100.9,Branched,Acid,0,0.582778989589603,0.4415261737446138,4.61,0.467981934330895,0.26848517222323376,0.19024005221521562,0.14790835603992333,0.12129497941212897,0.10281780876513598,0.08929241166336424,0.07903514766503171,0.07083594341327108,0.06418574287066686,3.84,1.7689909671654473,1.669242586111617,1.6301200261076079,1.6089541780199619,1.5956474897060646,1.5864089043825682,1.5796462058316822,1.574517573832516,1.5704179717066358,1.5670928714353336,0.06,2.131009032834552,2.230757413888383,2.269879973892392,2.2910458219800383,2.3043525102939353,2.313591095617432,2.3203537941683177,2.325482426167484,2.3295820282933644,2.3329071285646665,third
+276,11.87,94,4.4291584293566694e+17,4.18,1.430311246536665,171.0,Ring,Acid,1,0.7171667347297123,0.5178153099858406,6.77,5.174815052773679,5.141324392988635,5.14030129523398,5.140132698951847,5.1401512813908505,5.140303831417179,5.140485241138407,5.140753685300267,5.14094281386012,5.140708317522863,2.11,0.5148150527736812,0.4813243929886365,0.48030129523398135,0.4801326989518476,0.4801512813908514,0.48030383141717925,0.4804852411384067,0.48075368530026674,0.48094281386011917,0.4807083175228633,1.79,3.3851849472263185,3.418675607011363,3.419698704766018,3.4198673010481517,3.419848718609148,3.41969616858282,3.4195147588615926,3.4192463146997327,3.41905718613988,3.419291682477136,second
+272,3.4,95,1.1488713259240816e+17,3.95,1.3737155789130306,139.8,Branched,Base,1,0.06544798821444192,0.04878644813807667,4.62,3.310136725819366,2.695869658331132,2.3589876209237,2.160407624976174,2.04089533896611,1.96420872449428,1.916488340599922,1.8855231961411831,1.865081131439815,1.8518875379864677,4.63,4.63,4.63,4.63,4.63,4.63,4.63,4.63,4.63,4.63,4.63,3.08,3.734931637090317,4.042065170834434,4.21050618953815,4.309796187511913,4.369552330516946,4.407895637752861,4.43175582970004,4.4472384019294084,4.457459434280093,4.464056231006767,second
+273,12.77,99,3.5349403258618144e+16,4.93,1.5953389880545987,168.6,Branched,Base,1,0.00403149251746945,0.003015710750342835,8.93,8.155858026411885,7.626981796958942,7.23931764103077,6.94587656104846,6.714111591246209,6.525675933090889,6.3715735893131535,6.243881062583947,6.136094663591242,6.043918597432413,1.88,1.4929290132059418,1.2284908984794707,1.0346588205153846,0.88793828052423,0.7720557956231044,0.6778379665454444,0.6007867946565765,0.5369405312919731,0.48304733179562115,0.4369592987162066,2.25,2.6370709867940576,2.9015091015205288,3.095341179484615,3.2420617194757697,3.3579442043768952,3.4521620334545555,3.529213205343423,3.5930594687080264,3.6469526682043787,3.693040701283793,third
+279,5.58,91,9.707515155483373e+16,3.13,1.1410330045520618,158.0,Unknown,Acid,1,0.8899957679043826,0.5386710703903408,6.35,6.534202954215387,6.5351051581879185,6.534545046079442,6.535035481181992,6.535241335547764,6.534475641269074,6.535169105725795,6.5350549335808585,6.534790679816195,6.534866661435608,0.26,0.4442029542153869,0.4451051581879187,0.44454504607944195,0.4450354811819927,0.4452413355477648,0.4444756412690745,0.4451691057257956,0.44505493358085946,0.4447906798161965,0.44486666143560843,4.99,4.805797045784613,4.804894841812081,4.805454953920558,4.804964518818008,4.804758664452236,4.805524358730926,4.804830894274205,4.804945066419141,4.805209320183804,4.805133338564392,second
+276,11.3,100,3.843038503414421e+17,3.23,1.172482137234565,190.5,Branched,Acid,0,0.045540415942604856,0.029259923132352532,7.71,7.4341619197117135,7.168192427739986,6.911738403703666,6.664458118681794,6.426024448900609,6.19612215155771,5.974446212789459,5.760701847670975,5.554604500216142,5.3558798433776005,3.88,3.88,3.88,3.88,3.88,3.88,3.88,3.88,3.88,3.88,3.88,3.6,3.6,3.6,3.6,3.6,3.6,3.6,3.6,3.6,3.6,3.6,first
+273,7.84,95,7.853278027772699e+16,3.11,1.1346227261911428,41.3,Linear,Base,0,0.05218012281249155,0.03873920537487173,7.21,6.9152204809257345,6.632493007106927,6.361324637333707,6.101240236223495,5.851789047588403,5.612538638179858,5.3830723304835715,5.1629892027195385,4.951904088842042,4.749447578539646,3.94,3.94,3.94,3.94,3.94,3.94,3.94,3.94,3.94,3.94,3.94,3.25,3.25,3.25,3.25,3.25,3.25,3.25,3.25,3.25,3.25,3.25,first
+273,3.38,90,2.3753078793044776e+16,4.72,1.5518087995974639,115.4,Linear,Base,0,0.14285221350791263,0.12338592598268111,1.6,0.967030712967005,0.7549676510027065,0.6409703195470391,0.5661828719402564,0.513123520028445,0.4721225810753765,0.43979674004403424,0.41357276907034035,0.39139859329987803,0.3723314568147011,1.47,1.47,1.47,1.47,1.47,1.47,1.47,1.47,1.47,1.47,1.47,0.9,1.1109897623443317,1.1816774496657647,1.2196765601509871,1.2446057093532479,1.2622921599905184,1.275959139641541,1.286734419985322,1.2954757436432198,1.3028671355667074,1.3092228477284331,third
+270,11.15,95,3.5867704684972326e+17,4.24,1.4445632692438664,61.3,Ring,Base,0,0.1496873077751149,0.12120547679726525,8.78,8.660250153779907,8.540500307559816,8.420750461339722,8.30100061511963,8.181250768899538,8.061500922679446,7.941751076459354,7.8220012302392625,7.702251384019171,7.582501537799079,3.62,3.62,3.62,3.62,3.62,3.62,3.62,3.62,3.62,3.62,3.62,4.79,4.909749846220092,5.029499692440184,5.149249538660276,5.268999384880368,5.3887492311004594,5.508499077320552,5.628248923540644,5.747998769760736,5.867748615980828,5.98749846220092,zero
+274,9.41,91,7.280713816352496e+16,1.88,0.6312717768418578,60.0,Branched,Acid,1,0.3262469971666039,0.2892454890167882,6.64,5.992708497418981,5.598235707566743,5.355275827268562,5.209343457413074,5.118628492669201,5.063103481553947,5.030584265147443,5.009461087925706,4.996718581004654,4.989192754458201,3.58,3.58,3.58,3.58,3.58,3.58,3.58,3.58,3.58,3.58,3.58,3.95,4.597291502581019,4.991764292433257,5.234724172731438,5.380656542586926,5.471371507330799,5.526896518446053,5.559415734852557,5.580538912074294,5.593281418995346,5.600807245541799,first
+275,8.3,93,3.289135432261288e+17,2.49,0.9122827104766164,39.2,Ring,Base,1,0.7106213072920325,0.43249806247079214,6.34,1.9682852143028624,1.9494738996421552,1.9500931719356338,1.9506361899425346,1.9480342252355178,1.952294354432996,1.9485880150677963,1.9512073575522901,1.948929907440977,1.950074095396375,3.44,3.44,3.44,3.44,3.44,3.44,3.44,3.44,3.44,3.44,3.44,4.05,6.235857392848568,6.245263050178922,6.244953414032182,6.244681905028731,6.245982887382239,6.2438528227835,6.2457059924661,6.244396321223853,6.2455350462795085,6.24496295230181,second
+274,4.51,98,4.1475987339913434e+17,1.0,0.0,31.1,Ring,Enzyme,1,0.08603189574850517,0.06665080337909915,4.96,3.0310107086000793,2.274101697180425,1.8975091836768732,1.6855129316348008,1.5609998810095604,1.482903825718224,1.4347062874578116,1.4034996284869412,1.3832408834071783,1.3702696064077842,1.84,1.84,1.84,1.84,1.84,1.84,1.84,1.84,1.84,1.84,1.84,0.53,1.4944946456999602,1.8729491514097873,2.061245408161563,2.1672435341825995,2.2295000594952197,2.268548087140888,2.292646856271094,2.308250185756529,2.3183795582964106,2.3248651967961074,second
+277,10.34,93,4.8979836405423917e+17,3.08,1.1249295969854831,23.0,Linear,Acid,0,1.4194566311849457,1.0184060831684512,9.58,4.7215088151252305,4.71005514889518,4.710000427477408,4.709999956742641,4.710000036014201,4.710000451219186,4.709999524857945,4.710000714606524,4.709999559074539,4.710000775403781,4.87,0.011508815125231053,5.514889518091392e-05,4.274774096931163e-07,-4.325735730836777e-08,3.601420319771233e-08,4.5121918793145487e-07,-4.751420539355427e-07,7.146065257592951e-07,-4.409254587541705e-07,7.754037836192226e-07,4.72,9.578491184874768,9.589944851104821,9.589999572522592,9.59000004325736,9.5899999639858,9.589999548780815,9.590000475142055,9.589999285393477,9.59000044092546,9.589999224596218,second
+275,10.32,94,3.1707129435831635e+17,3.5,1.252762968495368,58.0,Unknown,Enzyme,0,0.4423462896892467,0.32241805741037255,3.31,2.323384375873937,1.6309273123274626,1.1435937419719977,0.8037129340759487,0.5647588308193974,0.39612232721113017,0.2784827298440222,0.19550614239651826,0.13721322894650773,0.0964394414195831,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,1.97,1.97,1.97,1.97,1.97,1.97,1.97,1.97,1.97,1.97,1.97,first
+274,13.6,93,1.593305068141321e+17,4.91,1.5912739418064292,128.9,Branched,Base,0,0.29674470956124754,0.18249833016418054,3.31,1.290376967078047,0.9403608108939219,0.7720021832183234,0.6689092678230448,0.5966596075208065,0.543301170179236,0.5013355311853003,0.46719212661669846,0.4388884574345164,0.4148678842963258,1.72,0.7101884835390234,0.5351804054469609,0.45100109160916163,0.39945463391152236,0.3633298037604032,0.3366505850896179,0.3156677655926501,0.2985960633083492,0.28444422871725816,0.27243394214816286,0.19,1.1998115164609766,1.374819594553039,1.4589989083908383,1.5105453660884776,1.5466701962395966,1.573349414910382,1.5943322344073498,1.6114039366916508,1.6255557712827418,1.6375660578518372,third
+273,12.17,99,4.451126591103613e+17,3.76,1.324418957401803,80.2,Unknown,Acid,1,0.05076375240356745,0.04102126556705142,1.26,1.1330619934294788,1.0329564335192853,0.9531124217382023,0.8891345591679021,0.8380949455972614,0.7972407613296744,0.7639764058260988,0.7365238441059292,0.7141608529766946,0.6959095355524328,4.02,3.893061993429478,3.792956433519285,3.7131124217382014,3.6491345591679014,3.5980949455972606,3.5572407613296737,3.5239764058260983,3.4965238441059285,3.474160852976694,3.4559095355524323,1.91,2.036938006570521,2.1370435664807146,2.216887578261798,2.280865440832098,2.3319050544027387,2.3727592386703256,2.406023594173901,2.4334761558940707,2.455839147023305,2.474090464447567,second
+278,4.04,100,1.5119672447001168e+17,2.25,0.8109302162163288,50.7,Ring,Enzyme,1,0.024514605651696976,0.018824065896373827,2.78,2.13758249484878,1.8634560312305433,1.7171699321009646,1.6323408807993935,1.580271800967449,1.5465923718313679,1.525717529989545,1.5116213926600668,1.5021761131924065,1.495982051379375,2.42,2.42,2.42,2.42,2.42,2.42,2.42,2.42,2.42,2.42,2.42,3.82,4.03413916838374,4.1255146562564855,4.1742766892996785,4.2025530397335356,4.219909399677517,4.231135876056211,4.238094156670152,4.242792869113312,4.245941295602532,4.248005982873543,third
+274,4.61,96,2.981560109403794e+17,3.04,1.1118575154181303,20.5,Linear,Acid,0,0.14879722916457835,0.12066520927283785,3.39,2.711256001346546,2.307848912502858,2.0431497308935844,1.85649542735905,1.719554262207207,1.6159272971302736,1.5345010550609766,1.4699655448981166,1.418177969350614,1.3757447864761547,2.25,1.571256001346546,1.167848912502858,0.9031497308935845,0.7164954273590498,0.5795542622072068,0.4759272971302735,0.39450105506097644,0.32996554489811647,0.27817796935061384,0.23574478647615452,0.94,1.618743998653454,2.022151087497142,2.2868502691064156,2.47350457264095,2.610445737792793,2.7140727028697262,2.7954989449390233,2.860034455101883,2.911822030649386,2.9542552135238456,second
+280,8.66,99,5.547532189606631e+16,0.81,-0.21072103131565253,75.8,Branched,Enzyme,1,0.018825932965236606,0.01097971396170705,8.99,3.1738912901410408,2.3803836100616027,2.0318641906563117,1.8384576228264455,1.716188127229227,1.6365912234303768,1.5803368987172293,1.5409291876741673,1.5133149321583532,1.4927179959105195,3.62,3.62,3.62,3.62,3.62,3.62,3.62,3.62,3.62,3.62,3.62,2.53,4.46870290328632,4.733205463312799,4.849378603114563,4.913847459057853,4.954603957590258,4.981136258856542,4.999887700427591,5.013023604108612,5.022228355947217,5.029094001363161,third
+270,10.73,93,4.5942348928817504e+17,3.67,1.3001916620664788,188.5,Ring,Enzyme,0,0.46733878141535523,0.3864674091727019,7.67,1.141632240913736,0.6172215056446967,0.4227901825110685,0.3213368942260083,0.259543880570058,0.21727655791225645,0.18714597542656175,0.1642633814340676,0.14629740344701,0.13187974983813652,3.21,3.21,3.21,3.21,3.21,3.21,3.21,3.21,3.21,3.21,3.21,1.53,4.794183879543132,5.056389247177652,5.153604908744466,5.2043315528869964,5.235228059714971,5.256361721043872,5.271427012286719,5.282868309282967,5.291851298276495,5.299060125080932,second
+272,6.7,97,1.9920888880806493e+17,2.99,1.095273387402595,56.2,Unknown,Base,1,0.04686423337458603,0.03269224466383747,6.06,2.9445213080548247,2.2825837655520527,1.9990364563299265,1.8533828276771462,1.7702938550831373,1.7227728163130867,1.693161397266265,1.6756233759408712,1.665083520903073,1.6581717126770865,3.61,2.052260654027412,1.7212918827760264,1.5795182281649633,1.5066914138385732,1.4651469275415687,1.4413864081565433,1.4265806986331324,1.4178116879704357,1.4125417604515365,1.4090858563385433,3.25,4.807739345972586,5.138708117223973,5.280481771835035,5.353308586161425,5.39485307245843,5.418613591843456,5.433419301366866,5.442188312029564,5.447458239548462,5.450914143661455,third
+276,1.08,96,2.8803936155876376e+16,3.41,1.2267122912954254,47.5,Ring,Base,0,0.019508559681325314,0.01687214786792056,5.85,2.8571849600333716,2.1525857301856717,1.799393241777089,1.576406542607217,1.4211596998650176,1.302865927479816,1.2107110616812984,1.1362137671277504,1.073302259266675,1.0197117372635431,0.21,0.21,0.21,0.21,0.21,0.21,0.21,0.21,0.21,0.21,0.21,1.69,2.687605013322209,2.9224714232714426,3.04020225274097,3.1145311524642607,3.166280100044994,3.2057113575067278,3.2364296461062336,3.261262077624083,3.2822325802444414,3.300096087578819,third
+270,7.56,93,2.0112983944522624e+17,4.99,1.6074359097634274,56.1,Unknown,Base,1,0.20459505502914957,0.12522443269654734,8.05,7.049506039163134,6.280729069744783,5.689216205453931,5.236691085337198,4.890163712317897,4.622049081126843,4.415920501111847,4.258731732599602,4.138387754974673,4.045103399209434,0.92,0.92,0.92,0.92,0.92,0.92,0.92,0.92,0.92,0.92,0.92,1.79,2.790493960836866,3.559270930255218,4.1507837945460695,4.603308914662803,4.949836287682103,5.217950918873158,5.424079498888154,5.581268267400398,5.701612245025328,5.794896600790567,first
+278,1.74,97,2.35847624141333e+17,2.02,0.7030975114131134,190.5,Linear,Acid,1,0.14002886173971196,0.07450750378738497,2.46,1.8258827585075774,1.5673761207061374,1.44637315714129,1.3872524207180603,1.3567329622426378,1.3415432603434583,1.3334241870024364,1.3290617203757666,1.3273102949008442,1.3260503649485131,0.92,0.92,0.92,0.92,0.92,0.92,0.92,0.92,0.92,0.92,0.92,2.73,3.047058620746211,3.1763119396469315,3.236813421429355,3.26637378964097,3.281633518878681,3.289228369828271,3.293287906498782,3.295469139812117,3.2963448525495784,3.2969748175257436,second
+274,3.27,94,7.039334912618686e+16,1.19,0.17395330712343798,45.9,Unknown,None,0,0.08452232172837895,0.046200297682880705,4.31,1.4769404117598572,1.0771989630834946,0.8883757976232509,0.7737802483709886,0.6940653842082662,0.6354542234136132,0.5890044612560976,0.551474559251518,0.5204792625377934,0.4941517873590662,3.52,3.52,3.52,3.52,3.52,3.52,3.52,3.52,3.52,3.52,3.52,0.58,1.5243531960800472,1.6576003456388346,1.720541400792249,1.7587399172096698,1.7853115385972438,1.8048485921954616,1.8203318462479667,1.8328418135828266,1.8431735791540682,1.851949404213644,third
+270,6.98,90,1.1827046553898414e+17,2.1,0.7419373447293773,76.4,Ring,Acid,0,0.45782634816468837,0.394308072025818,3.1,2.1492855669996205,1.4896030220338763,1.0327525707101763,0.7167131831928532,0.4965036482667252,0.3446315650165811,0.23897277305967457,0.16561547847749516,0.11503323447274519,0.0797585680877009,3.78,3.78,3.78,3.78,3.78,3.78,3.78,3.78,3.78,3.78,3.78,0.85,1.8007144330003801,2.460396977966124,2.917247429289824,3.233286816807147,3.453496351733275,3.605368434983419,3.7110272269403257,3.7843845215225054,3.834966765527255,3.8702414319122993,first
+274,6.82,93,1.83606841380522e+17,2.93,1.075002423028976,151.5,Linear,Enzyme,0,0.3419581090172523,0.2350951976046483,4.61,0.5715706820780498,0.32716235216619666,0.23129652457501165,0.17953253925998486,0.1470162477991063,0.12449800946553279,0.1080174830637657,0.09553986678181253,0.08557802407861792,0.07750168371298619,4.49,2.4707853410390244,2.3485811760830977,2.300648262287505,2.2747662696299917,2.2585081238995524,2.247249004732766,2.2390087415318822,2.2327699333909057,2.2277890120393082,2.2237508418564924,1.96,3.979214658960976,4.1014188239169025,4.149351737712494,4.175233730370008,4.1914918761004465,4.202750995267234,4.210991258468118,4.217230066609094,4.2222109879606915,4.226249158143507,third
+274,5.0,98,2.8161473937771952e+17,2.92,1.0715836162801904,197.2,Unknown,Acid,1,0.058414160706600764,0.040454766806566726,9.45,5.087023377875858,3.5809900482080588,2.8491708120363284,2.4385996980415445,2.186466370588065,2.0254785469381704,1.9174173416657314,1.845699814966053,1.795964091396932,1.7612531410750925,2.91,2.91,2.91,2.91,2.91,2.91,2.91,2.91,2.91,2.91,2.91,0.19,2.371488311062071,3.1245049758959706,3.4904145939818356,3.6957001509792278,3.8217668147059674,3.9022607265309146,3.9562913291671338,3.9921500925169733,4.017017954301534,4.034373429462454,second
+273,2.66,98,4.3139079645447315e+17,4.86,1.5810384379124025,72.2,Branched,Enzyme,0,0.07643587382375695,0.04076374190328243,1.74,1.6788513009409944,1.6177026018819889,1.5565539028229833,1.4954052037639778,1.4342565047049722,1.3731078056459665,1.3119591065869611,1.2508104075279556,1.18966170846895,1.1285130094099447,0.93,0.93,0.93,0.93,0.93,0.93,0.93,0.93,0.93,0.93,0.93,4.81,4.871148699059005,4.932297398118011,4.993446097177017,5.054594796236023,5.115743495295028,5.176892194354034,5.238040893413039,5.299189592472045,5.36033829153105,5.421486990590055,zero
+277,13.72,93,3.031753072391097e+17,3.71,1.3110318766193438,75.9,Unknown,Base,0,0.8786150217203097,0.45901462804036136,4.76,0.28592316460201395,0.15615173205083308,0.10804586541810197,0.08277717684275097,0.06719255535299011,0.056517995869844455,0.04880132047488314,0.042989270937366236,0.038374394722859896,0.034657492222853484,4.35,2.1129615823010064,2.0480758660254157,2.0240229327090504,2.011388588421375,2.003596277676494,1.9982589979349212,1.9944006602374407,1.9914946354686822,1.989187197361429,1.9873287461114257,4.13,6.367038417698994,6.431924133974583,6.45597706729095,6.468611411578625,6.476403722323505,6.481741002065078,6.485599339762559,6.488505364531317,6.490812802638571,6.492671253888574,third
+274,13.64,98,4.74003963909037e+16,1.8,0.5877866649021191,182.4,Ring,None,0,0.009832064821795654,0.006023979833838489,6.0,5.482503402267209,5.047219158015329,4.674988559431291,4.352572413016261,4.0730067520192055,3.8297383519795027,3.616422778719233,3.4269243883431795,3.255316327238827,3.0971294970382397,1.63,1.63,1.63,1.63,1.63,1.63,1.63,1.63,1.63,1.63,1.63,4.4,4.658748298866395,4.876390420992335,5.062505720284355,5.22371379349187,5.363496623990398,5.485130824010249,5.591788610640384,5.686537805828411,5.772341836380587,5.851435251480881,second
+279,1.15,94,2.466772657207148e+17,4.14,1.4206957878372228,34.2,Branched,Base,0,0.6204773159316578,0.31842120964530474,9.72,2.2764763822903684,2.2065187845885585,2.200589425232217,2.2000539007508584,2.2000046269304594,2.2000002559402794,2.199999515803794,2.20000038450258,2.1999986412878627,2.200001964068687,3.76,0.03823819114518347,0.003259392294278499,0.00029471261610783644,2.6950375428698947e-05,2.3134652290869817e-06,1.2797013918239444e-07,-2.420981034983084e-07,1.92251289455207e-07,-6.793560692894413e-07,9.820343429264621e-07,0.75,4.471761808854817,4.506740607705722,4.509705287383892,4.509973049624572,4.5099976865347715,4.509999872029861,4.510000242098104,4.509999807748711,4.51000067935607,4.509999017965657,third
+270,11.17,94,1.8753322294860538e+17,3.82,1.3402504226184837,96.4,Branched,Acid,0,0.12218790720935409,0.10207434109413312,7.56,1.290718196246872,0.9193513194211788,0.7521240201707173,0.6518365224029706,0.5836320570748491,0.5330783430195503,0.49341497960035685,0.46176821743570584,0.4356816562088669,0.4133348859213383,3.08,3.08,3.08,3.08,3.08,3.08,3.08,3.08,3.08,3.08,3.08,4.72,6.809760601251042,6.933549560192939,6.989291993276426,7.022721159199008,7.045455980975049,7.062307218993482,7.0755283401332125,7.086077260854763,7.09477278126371,7.1022217046928855,third
+270,11.99,96,3.3497514354951123e+17,3.52,1.2584609896100056,138.8,Branched,Enzyme,0,0.08954170444305529,0.06780115054471965,5.57,3.112592392189648,2.1545510089235367,1.647407532441795,1.3335836805928454,1.1204248384562945,0.9663811944894335,0.8485568905374672,0.757115872968407,0.6837924028279649,0.6228136887699497,4.43,4.43,4.43,4.43,4.43,4.43,4.43,4.43,4.43,4.43,4.43,3.72,4.948703803905176,5.427724495538232,5.681296233779102,5.838208159703577,5.944787580771853,6.0218094027552835,6.080721554731267,6.126442063515797,6.163103798586017,6.193593155615026,second
+279,10.1,95,4.173034836883216e+17,2.83,1.0402767116551463,164.8,Branched,Enzyme,0,0.6820576734839233,0.5856048618756625,4.17,2.4155895089278747,1.4000672938354093,0.8114715310059608,0.4704843867769162,0.27297334042835136,0.1580995804611302,0.09179658581551281,0.05314224501663751,0.030854886384329858,0.017880803144331367,1.28,1.28,1.28,1.28,1.28,1.28,1.28,1.28,1.28,1.28,1.28,3.58,3.58,3.58,3.58,3.58,3.58,3.58,3.58,3.58,3.58,3.58,first
+280,3.3,100,4.670267826687671e+17,3.51,1.2556160374777743,62.7,Unknown,Acid,1,0.1031429243179892,0.08805842681580828,1.03,1.3277246477556992,1.5078506636607534,1.6113338321795063,1.6665021492565988,1.69711412482256,1.7127928358903357,1.72156450430335,1.726160130430405,1.7279880862359847,1.7293749492230435,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,3.86,3.71113767612215,3.621074668169623,3.5693330839102466,3.5417489253717003,3.5264429375887194,3.5186035820548316,3.5142177478483245,3.511919934784797,3.511005956882007,3.510312525388478,second
+272,8.62,97,4.3929922614699104e+17,3.74,1.3190856114264407,31.7,Ring,Enzyme,0,0.10334589775892648,0.05911183957039123,4.65,1.359860709892268,0.9826484361987295,0.8086710460503829,0.7031906573358656,0.6303064335419798,0.5761019554357542,0.5343146314478289,0.500199797381392,0.4717811400924693,0.44771462592236466,0.2,0.2,0.2,0.2,0.2,0.2,0.2,0.2,0.2,0.2,0.2,0.47,1.5667130967025775,1.6924505212670904,1.7504429846498728,1.7856031142213786,1.809897855486007,1.827966014854749,1.841895122850724,1.853266734206203,1.8627396199691773,1.870761791359212,third
+279,12.61,99,2.0482636424691405e+17,3.47,1.244154593958768,132.1,Ring,Acid,0,0.05968211017139534,0.05231054144666698,7.83,6.537513727667241,5.732052568628085,5.187123859715073,4.798582829053134,4.51118314205935,4.290935034189402,4.12027463983098,3.985570129490924,3.876891411385648,3.788811858142305,4.48,3.187513727667241,2.382052568628086,1.8371238597150732,1.4485828290531346,1.1611831420593504,0.9409350341894025,0.7702746398309809,0.6355701294909244,0.5268914113856481,0.4388118581423054,0.08,1.3724862723327589,2.177947431371914,2.722876140284927,3.111417170946866,3.39881685794065,3.619064965810598,3.7897253601690197,3.9244298705090763,4.033108588614352,4.121188141857695,second
+276,5.3,99,2.181488144545221e+17,4.66,1.5390154481375546,124.1,Ring,Base,0,0.03997034453443535,0.034323555517951826,7.82,7.662180697960489,7.540903756976123,7.4467477326423115,7.373631659465755,7.316688639087682,7.27171992285917,7.236092982317237,7.208041030984326,7.1859315266025385,7.168344821212789,0.72,0.5621806979604884,0.4409037569761229,0.3467477326423115,0.2736316594657556,0.21668863908768196,0.17171992285916904,0.13609298231723604,0.10804103098432544,0.08593152660253854,0.06834482121278898,0.86,1.0178193020395117,1.1390962430238771,1.2332522673576884,1.3063683405342446,1.3633113609123182,1.408280077140831,1.443907017682764,1.4719589690156747,1.4940684733974614,1.511655178787211,second
+279,3.01,91,3.912001647229526e+17,2.75,1.0116009116784799,115.6,Branched,None,1,3.58656654592252,3.1455155977412055,8.42,2.5001273609865673,2.4989986152643717,2.4997684913326115,2.499285028784179,2.499776728992641,2.4994835247654974,2.4995651681310527,2.500033463771422,2.4986090531931375,2.500004598594772,3.47,0.5100636804932837,0.509499307632186,0.5098842456663057,0.5096425143920899,0.5098883644963207,0.509741762382749,0.5097825840655271,0.5100167318857117,0.5093045265965697,0.5100022992973872,0.67,3.6299363195067156,3.6305006923678134,3.6301157543336933,3.6303574856079095,3.6301116355036784,3.6302582376172494,3.6302174159344713,3.629983268114286,3.6306954734034287,3.6299977007026114,third
+271,8.24,97,2.7050719362039464e+16,3.52,1.2584609896100056,119.8,Unknown,Enzyme,1,0.005432151723222019,0.004779160231285236,9.59,7.958012805446298,7.074283232006947,6.493751331869495,6.083924692704772,5.779521177143332,5.545937231898799,5.358465828327426,5.206103851995505,5.080764653723978,4.975940944570371,2.97,2.154006402723149,1.7121416160034733,1.4218756659347476,1.2169623463523858,1.0647605885716656,0.947968615949399,0.8542329141637126,0.7780519259977521,0.715382326861989,0.662970472285185,3.76,4.5759935972768515,5.0178583839965265,5.308124334065252,5.513037653647614,5.665239411428334,5.7820313840506,5.875767085836287,5.951948074002247,6.0146176731380105,6.067029527714814,third
+272,7.85,90,2.9084130702761094e+17,2.35,0.8544153281560676,73.3,Branched,None,0,1.5118589203376454,0.9827902260900658,2.64,1.4305128637298836,0.22102572745976767,-0.9884614088103492,-2.1979485450804646,-3.407435681350581,-4.616922817620699,-5.826409953890815,-7.035897090160933,-8.24538422643105,-9.454871362701168,4.38,4.38,4.38,4.38,4.38,4.38,4.38,4.38,4.38,4.38,4.38,2.09,3.299487136270116,4.508974272540232,5.71846140881035,6.927948545080465,8.137435681350581,9.3469228176207,10.556409953890816,11.765897090160934,12.97538422643105,14.184871362701168,zero
+279,6.01,95,2.101869559177275e+17,1.63,0.4885800148186709,186.8,Linear,Enzyme,1,0.34353805264896026,0.2462671025827878,3.04,2.473132347930521,2.334757912497051,2.2981403399340774,2.2882653263262913,2.285046326926506,2.284512081651564,2.2840277096083685,2.284399762254949,2.2841112338730345,2.2841734659763655,2.44,1.8731323479305213,1.7347579124970511,1.6981403399340778,1.6882653263262917,1.6850463269265066,1.6845120816515649,1.6840277096083696,1.6843997622549498,1.6841112338730355,1.6841734659763665,4.61,5.17686765206948,5.315242087502949,5.351859660065923,5.361734673673709,5.364953673073494,5.365487918348435,5.365972290391631,5.365600237745051,5.365888766126965,5.365826534023634,second
+275,12.26,99,4.8722961511318483e+17,3.59,1.2781522025001875,152.8,Linear,None,1,0.07631046725645682,0.0400304930625155,3.46,2.735103976716944,2.485104553270417,2.3760428436287793,2.323219377596198,2.2974484689167354,2.283618353618353,2.2770428692354625,2.2733134460653175,2.271385516766885,2.2705429676942,1.15,0.7875519883584717,0.6625522766352084,0.6080214218143896,0.5816096887980987,0.5687242344583676,0.5618091768091764,0.5585214346177312,0.5566567230326587,0.5556927583834425,0.5552714838471001,4.85,5.212448011641528,5.337447723364791,5.39197857818561,5.418390311201901,5.431275765541632,5.438190823190824,5.441478565382268,5.443343276967341,5.444307241616557,5.4447285161528995,third
+275,3.36,97,3.212308461801065e+17,2.03,0.7080357930536959,156.7,Branched,None,0,0.12066176894128167,0.10416179424259729,1.67,1.3769257005574915,1.2046217373654997,1.0846258758673926,0.996611494661379,0.9276305438307033,0.8722964306528995,0.8268660989638202,0.788338315775016,0.7549459202216628,0.7258493578634871,0.74,0.5934628502787458,0.5073108686827499,0.4473129379336963,0.4033057473306895,0.3688152719153517,0.3411482153264498,0.31843304948191015,0.29916915788750803,0.28247296011083145,0.2679246789317436,4.36,4.506537149721255,4.59268913131725,4.652687062066304,4.696694252669311,4.731184728084648,4.758851784673551,4.781566950518091,4.800830842112492,4.817527039889169,4.832075321068257,third
+277,3.24,97,1.719473995991681e+17,2.09,0.7371640659767196,156.6,Ring,Acid,1,0.08773691038223852,0.05892259794091148,8.79,8.64936976333361,8.577851112092711,8.540832863070024,8.521509750074056,8.511525734321033,8.506262471325636,8.503547113197616,8.502099829763825,8.501379250224629,8.500979357041418,0.37,0.22936976333360945,0.1578511120927116,0.12083286307002494,0.10150975007405627,0.0915257343210325,0.08626247132563511,0.08354711319761661,0.0820998297638262,0.08137925022462981,0.08097935704141902,0.73,0.8706302366663905,0.9421488879072883,0.979167136929975,0.9984902499259437,1.0084742656789676,1.013737528674365,1.0164528868023834,1.0179001702361739,1.0186207497753703,1.019020642958581,second
+270,6.04,90,2.6748422893642428e+16,1.71,0.5364933705145685,27.8,Unknown,Base,1,0.10354345623611759,0.059212634480954984,7.22,3.9794193177946227,3.6918455048459147,3.6288467831434428,3.6133621838599104,3.6094700956234296,3.6085804560224712,3.6082063391667907,3.60823208162944,3.608132495300401,3.608218752775223,2.01,0.3897096588973114,0.24592275242295739,0.21442339157172158,0.2066810919299555,0.20473504781171492,0.20429022801123578,0.20410316958339564,0.20411604081472023,0.20406624765020062,0.20410937638761173,2.84,4.460290341102688,4.604077247577042,4.635576608428277,4.643318908070043,4.645264952188283,4.645709771988762,4.645896830416602,4.645883959185277,4.645933752349797,4.645890623612386,third
+277,6.58,94,4.6307029798056474e+17,2.29,0.8285518175661483,193.0,Linear,Enzyme,1,0.8693050550491332,0.6446867470502259,5.88,3.183066688415342,3.183061362699996,3.1839417475678204,3.183021862484372,3.1836286740719872,3.183123658769078,3.1835706477631525,3.183341338309325,3.183649554295736,3.1835064189809095,1.81,0.46153334420767067,0.4615306813499978,0.46197087378390983,0.4615109312421857,0.4618143370359932,0.4615618293845387,0.4617853238815759,0.4616706691546621,0.4618247771478677,0.46175320949045456,4.96,6.308466655792329,6.308469318650003,6.30802912621609,6.308489068757814,6.308185662964006,6.308438170615462,6.308214676118424,6.308329330845337,6.308175222852133,6.308246790509545,third
+279,6.0,99,2.942709653765416e+17,2.7,0.9932517730102834,170.9,Unknown,Enzyme,0,0.08574439252690207,0.049758758473619775,5.11,4.771228676647156,4.454916726561249,4.159567968170641,3.8837705783690755,3.62625953400038,3.3858428367389672,3.161391115720548,2.951837627542128,2.756178256262011,2.5734715133997983,3.47,3.47,3.47,3.47,3.47,3.47,3.47,3.47,3.47,3.47,3.47,4.91,4.91,4.91,4.91,4.91,4.91,4.91,4.91,4.91,4.91,4.91,first
+274,7.6,94,4.651774635610529e+17,0.61,-0.4942963218147801,114.2,Unknown,None,1,0.5585453700379777,0.2954363060348184,9.94,7.289617281287191,5.951588822860994,5.2778033532266715,4.9353715802538005,4.7635739235532295,4.676299413119723,4.632707928269136,4.609663359654918,4.599762948963471,4.593622589383594,2.61,2.61,2.61,2.61,2.61,2.61,2.61,2.61,2.61,2.61,2.61,3.32,5.970382718712808,7.308411177139006,7.982196646773328,8.3246284197462,8.49642607644677,8.583700586880278,8.627292071730864,8.650336640345081,8.660237051036528,8.666377410616404,first
+280,11.96,97,2.996574954277946e+17,3.65,1.2947271675944,96.2,Unknown,Acid,0,0.24010426207963623,0.21288168709570102,8.82,6.7305292523570435,6.268804928173668,6.137601034121994,6.0978073827466615,6.085531591840701,6.081722139484713,6.08053676150438,6.080167405804754,6.080052275465267,6.0800163140879695,2.74,0.6505292523570421,0.18880492817366562,0.057601034121991905,0.017807382746659786,0.0055315918406994005,0.0017221394847101645,0.0005367615043780639,0.00016740580475164556,5.227546526536535e-05,1.6314087968308988e-05,0.09,2.179470747642958,2.6411950718263344,2.772398965878008,2.8121926172533405,2.824468408159301,2.82827786051529,2.829463238495622,2.8298325941952482,2.8299477245347346,2.8299836859120315,second
+276,9.93,99,4.450730840808146e+17,2.27,0.8197798314933114,133.3,Ring,Base,0,0.0815485729693137,0.05192235981063426,2.19,1.2957212168759755,1.0067774443540598,0.8528242248299986,0.7526301861724033,0.6814219850537331,0.6266489614856149,0.5836605822111487,0.5487019050225089,0.5190340889510793,0.4936582494822864,0.52,0.52,0.52,0.52,0.52,0.52,0.52,0.52,0.52,0.52,0.52,3.69,3.988092927708008,4.084407518548646,4.135725258390001,4.169123271275866,4.192859338315422,4.211117012838129,4.225446472596284,4.237099364992497,4.246988637016307,4.255447250172572,third
+273,3.61,97,2.054171141669585e+16,2.01,0.6981347220709843,194.6,Linear,Base,0,0.005654647946705348,0.004938991407799497,9.59,9.546715518169771,9.503626400924587,9.460731766447891,9.4180307369366,9.375522438628199,9.333206001653421,9.291080560033699,9.249145251681176,9.207399218398699,9.165841605879825,3.5,3.5,3.5,3.5,3.5,3.5,3.5,3.5,3.5,3.5,3.5,0.31,0.3532844818302288,0.3963735990754144,0.43926823355211014,0.48196926306340127,0.5244775613718015,0.5667939983465806,0.6089194399663028,0.650854748318826,0.6926007816013016,0.7341583941201757,first
+271,1.53,96,2.4233927363459325e+17,4.73,1.5539252025038417,44.8,Linear,Enzyme,1,0.07585279447363943,0.04305986723078028,7.18,3.112944059520528,2.585773716951715,2.404017115224145,2.3288677825274173,2.296028090482393,2.280333343306554,2.273799132175587,2.2701693377852648,2.2687407773414483,2.268260249352648,3.22,1.1864720297602644,0.9228868584758578,0.8320085576120726,0.7944338912637087,0.7780140452411964,0.7701666716532771,0.7668995660877935,0.7650846688926326,0.7643703886707243,0.7641301246763241,4.46,6.493527970239735,6.757113141524141,6.847991442387927,6.885566108736291,6.901985954758803,6.909833328346722,6.913100433912206,6.914915331107366,6.915629611329274,6.915869875323675,third
+274,3.6,96,1.803394528288498e+17,1.92,0.6523251860396901,36.9,Ring,Enzyme,0,0.08999989906410064,0.08065072064252383,9.75,9.678000080748719,9.60600016149744,9.534000242246158,9.462000322994879,9.390000403743597,9.318000484492318,9.246000565241037,9.174000645989755,9.102000726738476,9.030000807487195,4.26,4.26,4.26,4.26,4.26,4.26,4.26,4.26,4.26,4.26,4.26,2.55,2.62199991925128,2.693999838502561,2.7659997577538413,2.837999677005122,2.9099995962564025,2.9819995155076833,3.0539994347589636,3.125999354010244,3.1979992732615243,3.269999192512805,zero
+275,6.75,95,1.7522094330501728e+17,4.04,1.3962446919730587,99.2,Unknown,None,1,0.15784850451408095,0.13857705986726698,8.47,6.74308936663982,6.740338265675957,6.740424584918883,6.740341082505708,6.740150515804064,6.740345412260347,6.740340133539599,6.740430327343766,6.740368137645646,6.7403799005887075,0.92,0.056544683319910014,0.05516913283797879,0.05521229245944158,0.055170541252854075,0.0550752579020324,0.0551727061301739,0.055170066769799915,0.05521516367188321,0.05518406882282333,0.055189950294354514,1.99,2.8534553166800904,2.854830867162022,2.854787707540559,2.8548294587471466,2.8549247420979684,2.854827293869827,2.854829933230201,2.8547848363281174,2.8548159311771775,2.854810049705647,third
+277,5.19,94,2.9391894696768064e+17,0.85,-0.16251892949777494,180.2,Linear,None,0,0.5517633661411092,0.44964450657727456,5.72,1.0096462761008325,0.7091820630591241,0.5740908481378731,0.49277320127831725,0.4376827593858051,0.3965231070050098,0.36468384648561947,0.3392010197711167,0.31791616064552164,0.29987742478150226,2.92,0.5648231380504163,0.4145910315295621,0.3470454240689366,0.3063866006391587,0.27884137969290257,0.25826155350250496,0.2423419232428098,0.2296005098855584,0.21895808032276087,0.20993871239075118,2.52,4.875176861949583,5.025408968470437,5.092954575931063,5.133613399360841,5.161158620307097,5.181738446497495,5.1976580767571905,5.210399490114441,5.221041919677239,5.2300612876092485,third
+275,4.77,99,1.3438973958431165e+17,3.08,1.1249295969854831,160.3,Branched,None,1,0.02104827683713361,0.017617637033737806,7.91,7.887582529768588,7.868296182109804,7.851667384645499,7.837301184324717,7.824935270457082,7.814320796051241,7.805218222682054,7.797397320490584,7.790637168184106,7.784744348751533,0.23,0.2075825297685886,0.18829618210980392,0.17166738464549988,0.1573011843247179,0.14493527045708202,0.13432079605124175,0.1252182226820544,0.11739732049058506,0.11063716818410665,0.1047443487515331,0.46,0.4824174702314114,0.501703817890196,0.5183326153545,0.5326988156752821,0.545064729542918,0.5556792039487582,0.5647817773179455,0.5726026795094149,0.5793628318158933,0.5852556512484668,second
+273,5.99,96,4.969185104325949e+17,3.46,1.2412685890696329,97.2,Ring,None,0,0.21251848464068634,0.1595219440881813,5.97,5.799985212287451,5.629970424574902,5.459955636862353,5.289940849149804,5.119926061437255,4.949911273724705,4.779896486012157,4.609881698299607,4.439866910587058,4.269852122874508,1.96,1.96,1.96,1.96,1.96,1.96,1.96,1.96,1.96,1.96,1.96,2.27,2.440014787712549,2.6100295754250986,2.7800443631376472,2.9500591508501968,3.1200739385627454,3.290088726275295,3.4601035139878444,3.6301183017003935,3.800133089412943,3.970147877125492,zero
+278,1.62,96,3.589864744331769e+17,4.23,1.4422019930581866,80.5,Linear,None,0,0.32852264710933854,0.18287065762097698,5.41,5.1471818823125295,4.884363764625059,4.621545646937587,4.358727529250117,4.095909411562646,3.8330912938751744,3.570273176187704,3.307455058500233,3.0446369408127625,2.781818823125292,3.68,3.68,3.68,3.68,3.68,3.68,3.68,3.68,3.68,3.68,3.68,4.22,4.48281811768747,4.745636235374941,5.008454353062413,5.271272470749883,5.534090588437354,5.7969087061248254,6.059726823812296,6.322544941499767,6.585363059187237,6.848181176874708,zero
+272,2.46,91,3.514728403845884e+17,0.72,-0.3285040669720361,119.8,Linear,Base,0,1.1740886685222358,0.8782523457469641,8.93,4.023983722731931,3.97128400929522,3.9700312330186103,3.970000936350115,3.969999742845413,3.9699982879525773,3.9700001356825134,3.970000039614153,3.9700002703504866,3.970000261053408,4.96,0.053983722731929945,0.0012840092952199312,3.1233018609691984e-05,9.363501146640485e-07,-2.571545880442674e-07,-1.7120474235062426e-06,1.356825128287272e-07,3.9614152179213e-08,2.703504856629701e-07,2.610534072492754e-07,1.62,6.526016277268069,6.578715990704779,6.5799687669813895,6.579999063649884,6.580000257154587,6.580001712047422,6.579999864317487,6.579999960385847,6.579999729649513,6.579999738946592,second
+275,12.68,90,2.978498049003352e+17,2.0,0.6931471805599453,68.3,Unknown,Enzyme,1,2.3900490073147123,2.105478962633621,2.93,1.4614543613775357,1.463482945583884,1.4616866387244611,1.4629891019667092,1.4620900101204377,1.4624555741676533,1.4626471392878784,1.4619266839604648,1.463256960555631,1.4628334235987541,2.41,2.41,2.41,2.41,2.41,2.41,2.41,2.41,2.41,2.41,2.41,3.06,3.5495152128741556,3.548839018138706,3.5494377870918474,3.549003632677765,3.5493033299598555,3.549181475277451,3.5491176202373755,3.5493577720131797,3.548914346481459,3.549055525467085,third
+279,3.65,96,3.9383997941076614e+17,4.86,1.5810384379124025,173.1,Ring,Acid,1,0.4182743137192821,0.3691727253436867,5.92,5.445378118913081,5.404004981991197,5.400325360288122,5.399868512562971,5.399519652256482,5.4006037553754025,5.399541693126355,5.399792396506651,5.400697554768355,5.400078822370285,1.37,0.8953781189130812,0.854004981991197,0.8503253602881217,0.8498685125629705,0.8495196522564815,0.8506037553754021,0.8495416931263542,0.8497923965066507,0.8506975547683543,0.8500788223702842,4.68,5.154621881086919,5.195995018008802,5.199674639711878,5.200131487437028,5.200480347743517,5.199396244624597,5.200458306873645,5.200207603493348,5.199302445231645,5.199921177629714,second
+274,7.5,93,2.2100399639040163e+17,2.65,0.9745596399981308,178.4,Ring,Enzyme,0,0.41160834815676267,0.3082152275284866,8.81,6.338025601917725,4.559823752849281,3.2770121833871286,2.3592141500328214,1.7001681130108637,1.2220831761872182,0.8797225991919725,0.6337375227403965,0.45587318548179734,0.3280554629168783,2.85,2.85,2.85,2.85,2.85,2.85,2.85,2.85,2.85,2.85,2.85,1.51,1.51,1.51,1.51,1.51,1.51,1.51,1.51,1.51,1.51,1.51,first
+274,2.05,99,1.8119117454264323e+17,2.9,1.0647107369924282,34.6,Linear,None,1,0.02423011873476848,0.020055712180561604,6.82,6.6905837243562125,6.580767036955778,6.487075845716887,6.407062000251792,6.338613969810106,6.2798461747267895,6.22909898642216,6.185128962044983,6.147088934167014,6.114128813957767,1.09,0.9605837243562121,0.8507670369557776,0.757075845716886,0.6770620002517913,0.6086139698101048,0.5498461747267895,0.49909898642216005,0.4551289620449823,0.41708893416701387,0.38412881395776655,0.22,0.34941627564378797,0.4592329630442226,0.5529241542831141,0.6329379997482089,0.7013860301898953,0.7601538252732107,0.8109010135778401,0.8548710379550177,0.8929110658329862,0.9258711860422336,second
+273,2.14,90,1.6456684834870947e+17,1.33,0.28517894223366247,108.9,Unknown,Acid,1,0.9897133235426223,0.8741389136109396,3.72,3.2774510509935286,3.1766800647254874,3.154084723240461,3.1483273454351344,3.1472718677051392,3.1471283438294284,3.146598567861177,3.1457121762527214,3.1490319709100976,3.1476034777565305,3.58,3.58,3.58,3.58,3.58,3.58,3.58,3.58,3.58,3.58,3.58,2.99,3.4325489490064722,3.533319935274513,3.5559152767595394,3.561672654564866,3.562728132294861,3.562871656170572,3.563401432138823,3.564287823747279,3.560968029089903,3.56239652224347,first
+275,9.85,98,3.5762186715933306e+17,2.6,0.9555114450274363,71.2,Unknown,Enzyme,0,0.08674121614279046,0.06204058797497082,5.14,5.070607027085767,5.001214054171535,4.931821081257303,4.862428108343071,4.7930351354288385,4.723642162514606,4.654249189600374,4.584856216686141,4.515463243771909,4.4460702708576765,2.43,2.43,2.43,2.43,2.43,2.43,2.43,2.43,2.43,2.43,2.43,2.88,2.9493929729142323,3.0187859458284647,3.088178918742697,3.1575718916569295,3.226964864571162,3.2963578374853943,3.3657508103996268,3.4351437833138587,3.504536756228091,3.573929729142323,zero
+278,12.46,92,4.712617444209139e+17,0.53,-0.6348782724359695,129.7,Unknown,Base,0,2.4341879767119363,2.0642665555617876,8.11,0.2928586559047205,0.2073065033307555,0.16919484224325954,0.14654811735894738,0.13106770359936648,0.11971853130464047,0.11076805886329202,0.10360727258927639,0.09773447168030838,0.09273913023517315,2.45,2.45,2.45,2.45,2.45,2.45,2.45,2.45,2.45,2.45,2.45,0.31,2.915713781365093,2.9442311655564146,2.9569350525855795,2.9644839608803504,2.969644098800211,2.973427156231786,2.976410647045569,2.9787975758035743,2.9807551761065634,2.9824202899216083,third
+277,9.4,96,2.175309585639685e+16,2.17,0.7747271675523681,44.6,Branched,Enzyme,0,0.01713512655994055,0.014668751787970035,5.85,3.0033734635423017,2.2779729943370506,1.908430810767356,1.6740649767046765,1.510105350756954,1.3866064653086256,1.2881079770718138,1.208574809810398,1.1427443436138498,1.0863211340574799,4.44,4.44,4.44,4.44,4.44,4.44,4.44,4.44,4.44,4.44,4.44,4.74,5.688875512152565,5.930675668554316,6.053856396410881,6.131978341098441,6.186631549747681,6.2277978448971245,6.260630674309395,6.2871417300632,6.309085218795383,6.327892955314173,third
+275,12.78,98,2.2474461572075187e+17,0.99,-0.01005033585350145,90.1,Ring,Enzyme,0,0.054511826818678805,0.043022646495544194,1.04,0.9963905385450571,0.952781077090114,0.9091716156351709,0.8655621541802279,0.8219526927252848,0.7783432312703418,0.7347337698153987,0.6911243083604556,0.6475148469055128,0.6039053854505696,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,0.1,1.59,1.633609461454943,1.6772189229098862,1.720828384364829,1.7644378458197723,1.8080473072747152,1.8516567687296583,1.8952662301846015,1.9388756916395444,1.9824851530944874,2.0260946145494305,zero
+280,12.45,92,1.6752407634286544e+17,3.59,1.2781522025001875,156.4,Ring,None,0,1.1498655782696634,0.6001678827860272,5.04,2.008746934436679,0.8015940296212419,0.3197150063521175,0.12753191961071875,0.05087515971179222,0.02029671918504844,0.008098012784156882,0.0032312226469221033,0.0012894771532294422,0.0005150514868766512,2.29,2.29,2.29,2.29,2.29,2.29,2.29,2.29,2.29,2.29,2.29,2.27,2.27,2.27,2.27,2.27,2.27,2.27,2.27,2.27,2.27,2.27,first
+271,3.94,94,3.492163012259943e+17,4.64,1.534714366238164,27.2,Linear,Base,1,0.26555330605980915,0.1996348943942557,1.14,0.8815055839074827,0.8105938195946146,0.7882720267077556,0.7805802230431612,0.7780200504536461,0.7772312714606435,0.7768620172047745,0.7767097522198244,0.7768855704425799,0.7767687994941368,1.38,1.2507527919537413,1.2152969097973072,1.2041360133538779,1.2002901115215807,1.1990100252268232,1.198615635730322,1.1984310086023873,1.1983548761099123,1.19844278522129,1.1983843997470685,0.78,0.9092472080462586,0.9447030902026926,0.9558639866461222,0.9597098884784194,0.9609899747731769,0.9613843642696782,0.9615689913976128,0.9616451238900878,0.96155721477871,0.9616156002529317,third
+280,4.5,96,1.7474437927981267e+17,0.69,-0.37106368139083207,167.5,Ring,Acid,1,0.2151478263848225,0.11775233863926546,4.42,1.180457584521639,0.9729523717077027,0.9302757030767212,0.9203225225004026,0.9176892796684962,0.9172059674306776,0.9170516407873409,0.9170444742331536,0.9168937082745633,0.9172504277531311,3.64,2.0202287922608195,1.9164761858538515,1.8951378515383606,1.8901612612502015,1.888844639834248,1.8886029837153389,1.8885258203936703,1.8885222371165766,1.8884468541372816,1.8886252138765656,1.15,2.7697712077391805,2.8735238141461488,2.8948621484616393,2.8998387387497986,2.9011553601657516,2.901397016284661,2.9014741796063293,2.901477762883423,2.901553145862718,2.901374786123434,third
+273,8.41,90,9.702491550047862e+16,3.19,1.1600209167967532,29.5,Linear,Acid,1,0.5835127338827343,0.49884173978736085,9.88,2.3531396354271785,2.326306234461759,2.3231972205311213,2.3263787397711755,2.3253561270332503,2.32370807601809,2.330250892424683,2.325061278062089,2.327437137329817,2.3268737880614188,1.44,1.44,1.44,1.44,1.44,1.44,1.44,1.44,1.44,1.44,1.44,2.55,6.313430182286412,6.326846882769122,6.328401389734441,6.326810630114413,6.327321936483376,6.3281459619909555,6.324874553787659,6.327469360968956,6.326281431335092,6.326563105969291,second
+274,10.11,94,2.850039346674064e+17,3.96,1.3762440252663892,64.9,Unknown,Acid,0,0.34220838415615396,0.17848102903700563,9.14,1.527406017823652,0.8325880038939127,0.5725389034583733,0.43665122860600736,0.3523572123019092,0.2958355396421135,0.25449348530611726,0.2235474546203557,0.19938313364755908,0.17975903959123532,0.99,0.99,0.99,0.99,0.99,0.99,0.99,0.99,0.99,0.99,0.99,3.86,7.666296991088173,8.013705998053043,8.143730548270813,8.211674385696996,8.253821393849044,8.282082230178943,8.302753257346941,8.318226272689822,8.33030843317622,8.340120480204382,second
+272,11.85,96,1.6428193480473034e+17,2.0,0.6931471805599453,96.0,Ring,None,1,0.060140726030378885,0.03420038824089263,1.3,1.2819209248807553,1.2651561386196275,1.2496101251734086,1.23519345638214,1.2218237204768663,1.2094265951054919,1.197932058405982,1.1872742612193132,1.1773915270894741,1.1682263522634653,1.65,1.65,1.65,1.65,1.65,1.65,1.65,1.65,1.65,1.65,1.65,1.6,1.6180790751192449,1.6348438613803726,1.6503898748265915,1.66480654361786,1.6781762795231339,1.6905734048945082,1.702067941594018,1.712725738780687,1.722608472910526,1.7317736477365349,first
+274,8.61,97,2.0686322480021818e+17,2.07,0.7275486072772777,148.4,Linear,Enzyme,1,0.06655647427400536,0.05395045219198087,2.29,1.9385762270465328,1.7178031179491504,1.5703998520797513,1.4707898638433978,1.4004240915589574,1.3500476762148514,1.3144959379962666,1.2887131563061132,1.2696005776840762,1.2556472776556007,2.9,2.9,2.9,2.9,2.9,2.9,2.9,2.9,2.9,2.9,2.9,1.29,1.4657118864767336,1.5760984410254248,1.6498000739601244,1.6996050680783013,1.7347879542205213,1.7599761618925742,1.7777520310018669,1.7906434218469434,1.800199711157962,1.8071763611721998,second
+278,8.94,94,3.202704901094114e+17,4.67,1.541159071680806,162.4,Ring,Base,0,0.6963162034382739,0.5564111753243716,7.89,0.546985072942146,0.38697879325142726,0.3162159801711171,0.2739142959969422,0.24502336730266977,0.223601745652661,0.20716138465724718,0.19379280253350775,0.18266783877187945,0.17326265845109023,2.86,2.86,2.86,2.86,2.86,2.86,2.86,2.86,2.86,2.86,2.86,2.37,4.817671642352617,4.87100706891619,4.894594673276294,4.908695234667685,4.9183255442324425,4.925466084782446,4.9309462051142505,4.935402399155497,4.939110720409373,4.942245780516303,third
+280,13.45,98,4.141421692623607e+17,1.7,0.5306282510621704,88.3,Unknown,Enzyme,1,0.21595594019599526,0.12095890056388747,2.17,2.115407682734748,2.0863894265237475,2.069908349203521,2.0607803691098705,2.0557715786053987,2.0527144738429275,2.0512526132646336,2.0504493212957517,2.049880858922781,2.0495717636727693,0.87,0.8154076827347485,0.7863894265237478,0.7699083492035215,0.7607803691098709,0.7557715786053991,0.7527144738429281,0.751252613264634,0.7504493212957518,0.7498808589227811,0.7495717636727695,2.62,2.674592317265252,2.7036105734762526,2.720091650796479,2.7292196308901295,2.7342284213946013,2.7372855261570725,2.7387473867353664,2.7395506787042483,2.740119141077219,2.7404282363272308,second
+277,11.82,97,2.4113070854329776e+17,0.69,-0.37106368139083207,186.2,Branched,None,0,0.12303799542875639,0.09499307867713304,8.29,4.121141225207003,3.845956812857531,3.788237002463825,3.7744736489947144,3.7711037206777136,3.7702736340637566,3.7700679098500247,3.7700171611419795,3.7700043718734215,3.770001184247066,2.26,0.17557061260350185,0.03797840642876577,0.009118501231912546,0.002236824497357166,0.000551860338856759,0.0001368170318781303,3.3954925012277726e-05,8.580570989813666e-06,2.185936710636082e-06,5.921235330815262e-07,3.99,6.074429387396498,6.212021593571234,6.240881498768087,6.247763175502643,6.249448139661143,6.249863182968122,6.249966045074988,6.24999141942901,6.249997814063289,6.249999407876467,third
+277,4.41,92,4.879866405787118e+17,3.19,1.1600209167967532,99.5,Unknown,Base,0,2.1831935960187385,1.2147458531090003,7.49,6.050000653224738,6.049999093905799,6.050000434130497,6.050001282701385,6.05000002312993,6.049999870812609,6.050001773841476,6.050000678280224,6.049999387167308,6.050000809979296,0.72,3.266123697733296e-07,-4.530471002406314e-07,2.1706524852013635e-07,6.413506939164122e-07,1.1564966334235595e-08,-6.459369482775615e-08,8.869207392835185e-07,3.39140112307346e-07,-3.064163451781408e-07,4.049896492637637e-07,3.44,4.1599996733876266,4.160000453047096,4.159999782934748,4.159999358649302,4.159999988435029,4.160000064593692,4.15999911307926,4.159999660859887,4.160000306416344,4.159999595010349,third
+277,7.84,93,3.6456921829864186e+17,2.72,1.000631880307906,44.6,Unknown,Acid,1,1.0565372047314832,0.8186267627866117,7.92,5.99110499999962,5.990986602538503,5.990977416184096,5.991052641012312,5.990954270051369,5.991078016662862,5.990979269498435,5.991030464874542,5.991024908520148,5.991051577853718,1.0,0.035552499999810215,0.035493301269252334,0.03548870809204816,0.035526320506156256,0.03547713502568494,0.035539008331432004,0.035489634749219276,0.03551523243727224,0.03551245426007552,0.03552578892686041,0.68,1.6444475000001897,1.6445066987307475,1.644511291907952,1.6444736794938442,1.6445228649743158,1.6444609916685688,1.6445103652507813,1.644484767562728,1.6444875457399248,1.64447421107314,third
+280,1.13,100,9.133322628955811e+16,1.72,0.5423242908253617,99.4,Unknown,None,0,0.020170954635770767,0.014202652517609387,8.14,7.790422515867917,7.494500896445284,7.241515933765758,7.024103427784011,6.835991243156387,6.67184777213467,6.527360245585641,6.399870044402443,6.2870453437137455,6.186815249458236,2.9,2.5504225158679157,2.254500896445283,2.001515933765757,1.7841034277840109,1.5959912431563863,1.431847772134669,1.2873602455856408,1.1598700444024412,1.0470453437137441,0.9468152494582345,0.32,0.6695774841320845,0.9654991035547171,1.2184840662342429,1.4358965722159893,1.6240087568436137,1.788152227865331,1.9326397544143594,2.0601299555975587,2.172954656286256,2.2731847505417657,second
+273,13.19,94,3.839783895366358e+17,1.77,0.5709795465857378,27.7,Ring,Base,0,0.39637248089662447,0.3381538514101877,9.69,3.161971265473325,3.112353600457348,3.1101102465082024,3.1100055097947843,3.110000252136473,3.109999694746286,3.110002026712336,3.110001266926094,3.110000701446846,3.1100003009180557,3.29,0.025985632736662975,0.0011768002286748358,5.512325410178167e-05,2.75489739291217e-06,1.2606823717191156e-07,-1.5262685621606856e-07,1.0133561688043803e-06,6.334630477683429e-07,3.5072342362323777e-07,1.504590286568732e-07,2.23,5.494014367263337,5.518823199771325,5.519944876745899,5.519997245102608,5.519999873931763,5.5200001526268565,5.519998986643832,5.519999366536952,5.519999649276577,5.519999849540971,third
+271,1.8,93,4.19233296779682e+17,2.84,1.0438040521731147,106.5,Linear,None,0,0.4968984973448627,0.33165944567473615,5.77,3.877226102244416,2.604808517884881,1.749636449721979,1.1776016440379726,0.790601324281144,0.5319570314915836,0.35747383715702474,0.24020306710449568,0.1616762531915737,0.10864502352386303,3.64,3.64,3.64,3.64,3.64,3.64,3.64,3.64,3.64,3.64,3.64,3.91,5.802773897755584,7.075191482115119,7.93036355027802,8.502398355962027,8.889398675718855,9.148042968508415,9.322526162842975,9.439796932895502,9.518323746808425,9.571354976476137,first
+271,11.81,100,3.722988166389789e+17,1.54,0.43178241642553783,123.8,Branched,Base,0,0.019743338735469226,0.014683454771052476,6.61,2.920174268009476,2.174209023226113,1.8072588419899043,1.5812638897177025,1.4213395057929843,1.3029026679799132,1.2101297468091319,1.1339673283417093,1.0706533124059474,1.0168741290444965,3.58,3.58,3.58,3.58,3.58,3.58,3.58,3.58,3.58,3.58,3.58,4.09,5.319941910663507,5.568596992257962,5.690913719336698,5.766245370094099,5.819553498069005,5.859032444006695,5.889956751063622,5.915344223886096,5.936448895864683,5.9543752903185005,third
+275,10.85,97,1.3557111243188838e+17,1.26,0.23111172096338664,143.7,Ring,Base,0,0.050923659536099945,0.03123942065452419,4.52,2.282036304104894,1.6432227401379889,1.3141028929908833,1.108250482318295,0.9641745302470589,0.8578221037447924,0.7739596115803672,0.7067132150608463,0.6516617179845642,0.6052486745557246,3.4,2.281018152052447,1.9616113700689946,1.7970514464954417,1.6941252411591476,1.6220872651235296,1.5689110518723963,1.5269798057901838,1.4933566075304232,1.4658308589922822,1.4426243372778624,3.81,4.9289818479475525,5.248388629931005,5.412948553504558,5.515874758840852,5.587912734876469,5.641088948127603,5.683020194209815,5.716643392469576,5.744169141007717,5.767375662722137,third
+275,11.72,90,3.0209167969318056e+16,4.49,1.501852701754163,124.2,Unknown,None,0,0.24240872657624077,0.16784030693559335,5.99,4.934055444255664,4.064287686875337,3.346282327133855,2.7543846265653293,2.268776027749095,1.8708568250232256,1.543242264112036,1.27134621318952,1.0472297584541914,0.8626495847091953,3.35,3.35,3.35,3.35,3.35,3.35,3.35,3.35,3.35,3.35,3.35,2.17,2.17,2.17,2.17,2.17,2.17,2.17,2.17,2.17,2.17,2.17,first
+277,1.88,92,5.341213078717919e+16,3.74,1.3190856114264407,61.6,Ring,None,0,0.23895945541868985,0.18707303408645581,9.72,0.9316056539048072,0.6598570980521705,0.5393306074633388,0.46740007005492995,0.4180254839965603,0.3815835297430112,0.35356174690880326,0.3306951937528465,0.31172567015502045,0.29568594196327014,4.16,4.16,4.16,4.16,4.16,4.16,4.16,4.16,4.16,4.16,4.16,1.22,4.149464782031731,4.24004763398261,4.280223130845554,4.3041999766483565,4.3206581720011465,4.332805490085662,4.342146084363732,4.349768268749051,4.3560914432816595,4.361438019345576,third
+271,13.3,90,4.265795456820117e+17,3.8,1.33500106673234,82.3,Ring,Base,0,1.914591269553514,1.1624806361880662,7.31,5.778326984357188,4.2466539687143765,2.7149809530715645,1.1833079374287534,-0.3483650782140586,-1.8800380938568724,-3.4117111094996844,-4.943384125142501,-6.475057140785314,-8.006730156428128,1.14,1.14,1.14,1.14,1.14,1.14,1.14,1.14,1.14,1.14,1.14,2.01,3.541673015642812,5.073346031285623,6.605019046928435,8.136692062571246,9.668365078214059,11.200038093856872,12.731711109499685,14.263384125142501,15.795057140785314,17.326730156428127,zero
+274,7.45,93,4.4902626483608326e+17,0.61,-0.4942963218147801,175.4,Branched,None,0,0.8362878597982144,0.5031042071304336,8.03,0.4991617806971634,0.3532091510151311,0.2884909960218917,0.2500677493508453,0.22352424123946882,0.20411257222404078,0.18906926033712615,0.17680314440763953,0.16666415896577697,0.1580893445277588,1.09,1.09,1.09,1.09,1.09,1.09,1.09,1.09,1.09,1.09,1.09,4.34,6.850279406434279,6.8989302829949555,6.920503001326035,6.933310750216385,6.94215858625351,6.948629142591987,6.953643579887625,6.957732285197453,6.961111947011408,6.963970218490747,third
+272,5.91,96,4.268829669799162e+16,0.68,-0.3856624808119846,177.5,Branched,Base,0,0.015627434382660548,0.010481429939048492,8.48,8.374643438327755,8.270595839616483,8.167840941346476,8.066362681251219,7.966145195320315,7.867172825834513,7.769430105549307,7.672901755587294,7.577572685438175,7.483427992958753,2.13,2.13,2.13,2.13,2.13,2.13,2.13,2.13,2.13,2.13,2.13,0.61,0.61,0.61,0.61,0.61,0.61,0.61,0.61,0.61,0.61,0.61,first
+272,2.08,93,4.641820764244039e+17,4.77,1.5623463049002497,63.2,Unknown,Base,0,0.640332264551387,0.4959592298491459,9.62,9.10773418835889,8.595468376717779,8.08320256507667,7.570936753435562,7.0586709417944515,6.546405130153341,6.03413931851223,5.521873506871119,5.009607695230008,4.497341883588897,3.48,3.48,3.48,3.48,3.48,3.48,3.48,3.48,3.48,3.48,3.48,4.8,5.31226581164111,5.824531623282221,6.336797434923329,6.849063246564438,7.361329058205548,7.873594869846659,8.38586068148777,8.898126493128881,9.410392304769992,9.922658116411103,zero
+278,10.97,91,4.701596492126905e+16,2.61,0.959350221334602,122.1,Ring,Enzyme,1,0.3743160548037524,0.32393388284606184,8.28,2.193118985399541,2.0145232033898295,2.0024389564548875,2.001471393905495,2.000061367464214,2.003126580132184,2.0029776447177063,2.0011766151850816,1.9999280858712658,2.002742174702616,4.81,4.81,4.81,4.81,4.81,4.81,4.81,4.81,4.81,4.81,4.81,1.49,4.533440507300228,4.622738398305083,4.628780521772555,4.629264303047251,4.629969316267892,4.628436709933907,4.628511177641146,4.629411692407459,4.630035957064367,4.628628912648692,second
+271,3.56,91,3.03492386932527e+17,3.75,1.3217558399823195,53.1,Branched,Enzyme,0,0.8739148870836795,0.6436142567959893,1.64,0.9408680903330561,0.24173618066611258,-0.45739572900083136,-1.1565276386677747,-1.855659548334719,-2.554791458001663,-3.253923367668608,-3.953055277335552,-4.652187187002498,-5.3513190966694415,4.76,4.76,4.76,4.76,4.76,4.76,4.76,4.76,4.76,4.76,4.76,2.63,3.329131909666944,4.028263819333887,4.727395729000831,5.426527638667775,6.125659548334719,6.824791458001663,7.523923367668608,8.22305527733555,8.922187187002496,9.621319096669442,zero
+276,11.32,93,4.950715322731015e+17,1.27,0.23901690047049992,182.4,Unknown,Enzyme,0,1.2394518309621794,1.0143614672479844,5.17,4.178438535230256,3.1868770704605134,2.1953156056907694,1.203754140921026,0.212192676151282,-0.7793687886184637,-1.7709302533882072,-2.7624917181579507,-3.754053182927697,-4.745614647697442,2.63,2.63,2.63,2.63,2.63,2.63,2.63,2.63,2.63,2.63,2.63,4.94,5.931561464769744,6.923122929539487,7.914684394309231,8.906245859078975,9.897807323848719,10.889368788618464,11.880930253388208,12.872491718157951,13.864053182927698,14.855614647697443,zero
+276,3.45,90,4.8138050609401005e+17,4.73,1.5539252025038417,141.4,Ring,Base,0,4.45490585615193,2.324387349238376,5.46,0.13727719199980068,0.06956888352756666,0.0465764454468838,0.03498284741138983,0.028019569273625082,0.023372725196999955,0.020054131351438485,0.01754066934041774,0.015604766976316692,0.014056094431750217,2.41,2.41,2.41,2.41,2.41,2.41,2.41,2.41,2.41,2.41,2.41,1.85,4.511361404000099,4.545215558236217,4.556711777276558,4.562508576294305,4.565990215363187,4.568313637401499,4.56997293432428,4.57122966532979,4.572197616511841,4.572971952784124,second
+280,2.07,90,2.7229622110356854e+17,4.26,1.449269160281279,30.7,Unknown,Enzyme,0,4.412955036931221,3.570031119458571,6.98,0.2175527005463044,0.15393178480928826,0.12564249022610963,0.10888102725793014,0.09732794108170348,0.08891655342143026,0.08229966767671901,0.07696189276205163,0.07256441162351276,0.06884041329367765,0.08,0.08,0.08,0.08,0.08,0.08,0.08,0.08,0.08,0.08,0.08,1.16,3.4141490998178985,3.4353560717302374,3.444785836591297,3.4503729909140235,3.4542240196394327,3.45702781552619,3.4592334441077606,3.4610127024126496,3.462478529458829,3.463719862235441,third
+270,11.75,99,3.3322499881793754e+17,1.87,0.6259384308664954,21.8,Linear,Base,0,0.023406932320975175,0.015425909409989079,8.6,8.061810024567803,7.626193104783436,7.266679487120746,6.967213099312158,6.716401651288543,6.5040165896589475,6.320993097710588,6.1610471175697565,6.021910329400199,5.900275497921115,3.73,3.191810024567804,2.7561931047834376,2.396679487120747,2.0972130993121585,1.8464016512885444,1.6340165896589491,1.4509930977105885,1.2910471175697582,1.1519103294002,1.030275497921116,4.73,5.268189975432197,5.703806895216564,6.063320512879254,6.362786900687842,6.613598348711457,6.825983410341053,7.009006902289412,7.1689528824302435,7.308089670599801,7.429724502078885,second
+272,4.74,98,4.933279729004386e+17,0.98,-0.020202707317519466,183.2,Branched,None,1,0.07458001943867724,0.05293723176887845,7.3,1.7610295566081555,1.4219595293319016,1.3182427057046877,1.2798147073552761,1.2645627179643475,1.2579631104631246,1.2556067101889863,1.254464818405428,1.2539135424555699,1.2538875522960522,1.94,1.94,1.94,1.94,1.94,1.94,1.94,1.94,1.94,1.94,1.94,0.76,2.606323481130615,2.719346823556033,2.7539190980984376,2.766728430881575,2.7718124273452176,2.774012296512292,2.7747977632703384,2.775178393864858,2.7753621525148104,2.7753708159013164,third
+271,13.27,94,1.5511863271092768e+17,2.32,0.8415671856782185,75.5,Branched,None,0,0.1179563084634089,0.06635572327961455,3.88,2.2412782827183273,1.5756713691832611,1.2160744491069877,0.9888218238097226,0.8344644479660743,0.7208861968016456,0.6346302552115407,0.5674267982978229,0.5127304674118738,0.467492746406446,3.63,3.63,3.63,3.63,3.63,3.63,3.63,3.63,3.63,3.63,3.63,0.35,1.1693608586408364,1.5021643154083693,1.681962775446506,1.7955890880951384,1.8727677760169625,1.929556901599177,1.9726848723942294,2.0062866008510882,2.033634766294063,2.056253626796777,second
+278,8.89,92,4.050167109524369e+17,4.13,1.4182774069729414,190.1,Branched,Acid,1,2.0920153605493534,1.8709291056924533,5.21,3.7598604935436875,3.699306933661825,3.696181286867161,3.6940923603777676,3.698142990740842,3.6976425049255526,3.6970315008234826,3.6987608781380623,3.7015484594663923,3.698408129501949,2.17,2.17,2.17,2.17,2.17,2.17,2.17,2.17,2.17,2.17,2.17,2.62,4.0701395064563135,4.130693066338176,4.13381871313284,4.135907639622233,4.131857009259159,4.132357495074449,4.132968499176519,4.13123912186194,4.12845154053361,4.131591870498053,first
+280,8.75,95,2.97861968109722e+17,3.1,1.1314021114911006,139.0,Linear,Enzyme,1,0.5635180424574603,0.39782964093877976,7.23,3.1486748969454577,3.1444956199821257,3.144857982569577,3.1446178050790334,3.1441909935091035,3.1449214650441712,3.144761385486916,3.1442777854339754,3.144673879609631,3.144784246017203,2.2,0.15933744847272902,0.15724780999106308,0.15742899128478882,0.15730890253951724,0.1570954967545521,0.15746073252208587,0.15738069274345814,0.15713889271698786,0.15733693980481556,0.15739212300860164,0.16,2.2006625515272713,2.202752190008937,2.2025710087152115,2.202691097460483,2.202904503245448,2.2025392674779147,2.2026193072565428,2.2028611072830135,2.2026630601951855,2.2026078769913995,third
+277,9.44,97,2.7721911171305994e+17,3.69,1.3056264580524357,87.9,Unknown,Enzyme,0,0.141452260501241,0.10236586212575301,9.9,8.840758254303108,7.89485403538893,7.049725287202494,6.294200799704878,5.619665372334553,5.018030874109707,4.48165515420045,4.003342041928798,3.576341346768694,3.194348858345987,3.62,3.62,3.62,3.62,3.62,3.62,3.62,3.62,3.62,3.62,3.62,3.43,3.43,3.43,3.43,3.43,3.43,3.43,3.43,3.43,3.43,3.43,first
+271,6.12,98,4.146621195351718e+16,2.46,0.9001613499442714,137.3,Unknown,None,1,0.00534235477634099,0.0027881117237512254,4.26,4.189169579380807,4.120942302079878,4.055183928967408,3.991768890032222,3.9305817434319064,3.8715137454254833,3.814462338729324,3.759331152517147,3.706030002420018,3.654474890526353,4.12,4.049169579380807,3.980942302079878,3.9151839289674086,3.8517688900322224,3.7905817434319067,3.7315137454254836,3.6744623387293243,3.619331152517147,3.5660300024200184,3.5144748905263534,1.27,1.340830420619193,1.409057697920122,1.4748160710325915,1.5382311099677777,1.5994182565680937,1.6584862545745165,1.7155376612706759,1.7706688474828531,1.8239699975799815,1.8755251094736467,second
+273,11.36,92,2.729305285731666e+17,2.7,0.9932517730102834,138.6,Ring,None,0,0.6800392892314626,0.5294808633480046,6.63,0.8093053501940967,0.4313968137235465,0.29401705120234656,0.2229016195910064,0.17947303086283714,0.15028268565311495,0.1292674879499324,0.11329510340344398,0.10095205877031396,0.0910475610075394,4.83,4.83,4.83,4.83,4.83,4.83,4.83,4.83,4.83,4.83,4.83,4.45,7.3603473249029525,7.549301593138228,7.617991474398829,7.653549190204498,7.675263484568583,7.689858657173444,7.700366256025036,7.70835244829828,7.714523970614845,7.719476219496232,second
+274,5.93,91,1.6912883534884784e+17,3.42,1.2296405510745139,71.0,Ring,Enzyme,0,0.7578621555336675,0.6646804496336066,5.3,1.709197251416947,1.5897024344728499,1.566611151890316,1.5615033528426319,1.5603438929047257,1.5600793090319853,1.560018534089191,1.5600042627018862,1.5600007296612353,1.560000605759978,1.87,0.07459862570847348,0.014851217236424952,0.0033055759451580515,0.0007516764213158849,0.00017194645236289134,3.965451599265378e-05,9.26704459550932e-06,2.1313509431212943e-06,3.648306177547672e-07,3.028799891213465e-07,0.92,2.7154013742915266,2.775148782763575,2.7866944240548417,2.7892483235786836,2.789828053547637,2.789960345484007,2.789990732955404,2.7899978686490563,2.789999635169382,2.78999969712001,third
+271,12.6,92,3.69080199164976e+16,1.7,0.5306282510621704,123.4,Linear,None,1,0.06818476875729991,0.04633223997472121,7.89,4.473285649884536,3.3082420168613784,2.7758702459111446,2.4956216258297457,2.340612767505154,2.2501738121924983,2.197906721476495,2.1653342039952674,2.146716468240458,2.1354646725130277,3.69,3.69,3.69,3.69,3.69,3.69,3.69,3.69,3.69,3.69,3.69,3.71,5.418357175057733,6.000878991569312,6.267064877044429,6.407189187085128,6.484693616247424,6.529913093903752,6.556046639261754,6.572332898002367,6.581641765879772,6.5872676637434875,second
+271,10.79,100,1.006465120252315e+17,3.01,1.1019400787607843,111.2,Unknown,Acid,0,0.005337374417132589,0.003346076498337378,5.91,5.6260506815448545,5.368138420444085,5.132808274778896,4.91713864806655,4.718907790125707,4.536159924341847,4.367143584552981,4.210311615049633,4.064321170574859,3.9280337163242294,4.01,4.01,4.01,4.01,4.01,4.01,4.01,4.01,4.01,4.01,4.01,3.86,4.001974659227573,4.130930789777958,4.248595862610552,4.356430675966725,4.455546104937147,4.546920037829076,4.63142820772351,4.709844192475183,4.782839414712571,4.850983141837885,second
+272,5.44,97,1.887012416447968e+17,4.49,1.501852701754163,163.6,Unknown,Enzyme,0,0.04439229132509416,0.022513157542411906,2.94,2.170215502054126,1.779921973374082,1.5321093967629043,1.3573649757407054,1.227803323458644,1.1254861879381142,1.0418505638901383,0.9727260625809728,0.9144366505177721,0.8640159713745863,1.93,1.545107751027063,1.349960986687041,1.226054698381452,1.1386824878703525,1.073901661729322,1.0227430939690567,0.9809252819450689,0.9463630312904862,0.9172183252588858,0.8920079856872929,1.77,2.1548922489729367,2.350039013312959,2.4739453016185475,2.5613175121296474,2.626098338270678,2.6772569060309426,2.7190747180549306,2.7536369687095132,2.7827816747411136,2.8079920143127066,third
+270,4.71,90,3.7688923630574086e+17,0.99,-0.01005033585350145,78.0,Ring,Acid,0,1.4589426188024939,1.003354487920024,1.74,0.37025038188587933,0.2646798552619829,0.21703793460373427,0.18816860480567468,0.16863792871446232,0.15395795271738832,0.1426105151974063,0.13353877547017712,0.12593701191646417,0.11947673708661595,2.35,2.35,2.35,2.35,2.35,2.35,2.35,2.35,2.35,2.35,2.35,3.09,3.5465832060380404,3.581773381579339,3.597654021798755,3.6072771317314416,3.613787357095179,3.618680682427537,3.6224631616008645,3.625487074843274,3.628020996027845,3.6301744209711275,third
+276,11.3,96,4.2966611798761485e+17,3.68,1.3029127521808397,156.9,Ring,Enzyme,0,0.29100769632468015,0.22499757230287212,5.16,4.927193842940256,4.694387685880512,4.461581528820767,4.2287753717610235,3.9959692147012795,3.763163057641535,3.5303569005817907,3.297550743522047,3.064744586462302,2.8319384294025576,2.91,2.91,2.91,2.91,2.91,2.91,2.91,2.91,2.91,2.91,2.91,2.87,3.1028061570597445,3.335612314119489,3.568418471179233,3.801224628238977,4.034030785298722,4.266836942358466,4.4996430994182095,4.732449256477954,4.965255413537699,5.198061570597443,zero
+271,3.11,100,2.4724752416631168e+17,1.29,0.25464221837358075,31.2,Linear,Acid,1,0.013111757016018738,0.007835297623004419,6.46,6.363434729599241,6.275029926335959,6.193920758019901,6.119381972163926,6.050812665993881,5.987658638918706,5.929411980870504,5.875611072304537,5.825840584199233,5.779731478056183,1.55,1.4534347295992416,1.3650299263359593,1.2839207580199017,1.2093819721639258,1.1408126659938813,1.0776586389187066,1.0194119808705038,0.9656110723045372,0.9158405841992339,0.8697314780561832,0.65,0.7465652704007584,0.8349700736640407,0.9160792419800985,0.9906180278360742,1.0591873340061189,1.1223413610812933,1.1805880191294964,1.2343889276954627,1.2841594158007663,1.3302685219438168,second
+278,9.17,90,1.7529454886814272e+17,0.58,-0.5447271754416722,129.1,Unknown,None,1,2.1511103355061256,1.3913392018248953,2.3,1.1788561278708705,1.1802135973020962,1.1791179259047706,1.1797148784757705,1.1801240359786593,1.178857834918103,1.180713540465146,1.178556302836894,1.180696537008203,1.1797147548141544,2.82,2.259428063935434,2.260106798651047,2.2595589629523842,2.259857439237884,2.2600620179893283,2.2594289174590507,2.2603567702325718,2.2592781514184463,2.260348268504101,2.259857377407077,4.3,4.860571936064565,4.859893201348953,4.860441037047617,4.860142560762116,4.859937982010671,4.86057108254095,4.8596432297674275,4.860721848581554,4.859651731495899,4.860142622592923,third
+280,6.85,90,1.0207896104478216e+17,1.89,0.636576829071551,28.4,Ring,Acid,0,1.6543375573910002,1.2674435008483749,8.54,0.35543649045888653,0.2513304283516143,0.2053353562768641,0.17770971380473058,0.15907238783808195,0.14511090676637473,0.1343700849968504,0.12576947546065403,0.11855392634716086,0.11244506086257908,3.9,3.9,3.9,3.9,3.9,3.9,3.9,3.9,3.9,3.9,3.9,3.59,6.318187836513703,6.352889857216127,6.36822154790771,6.377430095398421,6.383642537387304,6.3882963644112065,6.391876638334381,6.39474350817978,6.397148691217611,6.399184979712471,third
+271,8.62,100,2.2421024349523098e+17,2.4,0.8754687373538999,92.0,Linear,Acid,0,0.011890069448114703,0.008700314385215999,7.19,7.180487944441508,7.170975888883016,7.161463833324525,7.151951777766033,7.142439722207541,7.13292766664905,7.123415611090558,7.113903555532066,7.104391499973574,7.094879444415083,0.7,0.7,0.7,0.7,0.7,0.7,0.7,0.7,0.7,0.7,0.7,4.77,4.779512055558492,4.789024111116984,4.798536166675475,4.808048222233967,4.817560277792459,4.82707233335095,4.836584388909442,4.846096444467934,4.855608500026426,4.865120555584917,zero
+277,7.88,99,2.5909967252772704e+17,0.56,-0.579818495252942,141.2,Linear,Enzyme,0,0.05547464759695533,0.048551245976388546,5.79,3.2504642446882785,2.581801474387059,2.242429475225401,2.028506254517045,1.8805781832245685,1.769324515678443,1.6829467744589734,1.6139491757204718,1.5567403833857403,1.5085893065949172,2.36,1.0902321223441391,0.7559007371935292,0.5862147376127003,0.4792531272585223,0.4052890916122841,0.34966225783922134,0.3064733872294865,0.27197458786023576,0.24337019169287,0.21929465329745848,4.68,5.9497678776558605,6.28409926280647,6.453785262387299,6.560746872741477,6.634710908387715,6.690337742160778,6.733526612770513,6.768025412139764,6.796629808307129,6.820705346702541,third
+274,10.8,95,9.055744692093318e+16,4.22,1.4398351280479205,135.1,Linear,Base,1,0.07010027186664282,0.044660415938713366,9.34,5.073319593497723,4.7247182681353745,4.650647157519335,4.632830063831264,4.628406584301054,4.627239472820977,4.627020353186503,4.626924681620067,4.6269568961605545,4.6269229511231655,2.51,0.3766597967488611,0.20235913406768705,0.1653235787596674,0.15641503191563239,0.1542032921505271,0.153619736410489,0.15351017659325197,0.15346234081003365,0.1534784480802778,0.15346147556158302,2.8,4.933340203251138,5.1076408659323125,5.144676421240331,5.153584968084366,5.155796707849471,5.156380263589509,5.156489823406746,5.156537659189964,5.156521551919719,5.156538524438415,third
+271,9.49,95,4.973206663073417e+17,2.51,0.9202827531436925,74.9,Linear,None,0,0.24262692871175262,0.1955888216305991,6.82,6.700018993701864,6.700000952986497,6.699998777642625,6.700002663721026,6.699999958819257,6.699999294190511,6.7000020491645,6.699998467531488,6.700000142435477,6.700000730011172,0.06,9.496850931725712e-06,4.764932483638719e-07,-6.111786876913428e-07,1.3318605127067874e-06,-2.0590371813387922e-08,-3.5290474547827165e-07,1.024582248873515e-06,-7.662342564314635e-07,7.121773796226037e-08,3.6500558527283644e-07,3.01,3.069990503149068,3.0699995235067514,3.0700006111786875,3.069998668139487,3.0700000205903715,3.0700003529047444,3.06999897541775,3.070000766234256,3.0699999287822615,3.069999634994414,third
+279,6.48,96,6.713276687806622e+16,4.04,1.3962446919730587,138.6,Linear,Acid,1,0.07129776930216876,0.04543850550532717,5.83,5.595120126453245,5.381182867587891,5.18627981803224,5.008677205706003,4.846926830243625,4.699668417065476,4.565621419985678,4.443585021212104,4.33243813134637,4.231139389383847,4.37,4.37,4.37,4.37,4.37,4.37,4.37,4.37,4.37,4.37,4.37,2.38,2.614879873546755,2.828817132412109,3.0237201819677604,3.2013227942939975,3.363073169756376,3.5103315829345245,3.6443785800143216,3.766414978787897,3.877561868653631,3.978860610616154,first
+278,1.39,91,2.6933711636598582e+17,0.77,-0.2613647641344075,144.8,Branched,None,0,2.1443185730455436,1.8056272900850423,7.61,1.369732083866919,0.24695824186290144,0.04454313532475885,0.008022252947606782,0.001444267566106538,0.000260639167811078,4.686720454008662e-05,8.608496203130284e-06,1.5961656323911741e-06,3.4182131460745484e-07,0.07,0.07,0.07,0.07,0.07,0.07,0.07,0.07,0.07,0.07,0.07,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,first
+280,12.98,98,4.241029991726892e+17,1.22,0.19885085874516517,129.4,Linear,Acid,1,0.2211500511754417,0.12368077301660164,5.7,1.419549155940074,1.379334115677696,1.3771186139252303,1.3764663535775221,1.3788027471486692,1.378699252728329,1.3784651290769636,1.378209286534071,1.3775364194481658,1.3775462789938002,1.24,1.24,1.24,1.24,1.24,1.24,1.24,1.24,1.24,1.24,1.24,3.23,4.656816948019976,4.670221961440769,4.670960462024925,4.671177882140827,4.670399084283778,4.670433582423892,4.670511623641014,4.670596904488645,4.67082119351728,4.670817907002069,third
+280,9.32,97,1.3121851545054669e+17,1.79,0.5822156198526637,168.7,Unknown,Base,1,0.10514045303108584,0.07211254027915155,6.82,3.4661873471861,3.1528648679677826,3.0791979219612147,3.0597876667829254,3.0544230971738426,3.0527188078472403,3.052582733067666,3.052138694220439,3.0524152875628037,3.0523530540683206,2.32,0.6430936735930498,0.4864324339838913,0.44959896098060725,0.43989383339146276,0.43721154858692135,0.4363594039236201,0.43629136653383294,0.43606934711021966,0.43620764378140187,0.43617652703416027,4.04,5.71690632640695,5.873567566016108,5.910401039019392,5.920106166608536,5.922788451413077,5.923640596076378,5.923708633466166,5.923930652889779,5.9237923562185975,5.9238234729658386,third
+273,8.47,97,2.2958225582508634e+17,2.01,0.6981347220709843,109.7,Ring,Base,0,0.06319857217184702,0.03722346741270053,6.75,6.301188708963258,5.994029374054349,5.776760973796485,5.620768258289788,5.505425002608751,5.419626444599862,5.35562952369756,5.307107310299756,5.270248547312053,5.242209954794271,1.6,1.1511887089632578,0.844029374054348,0.6267609737964842,0.470768258289787,0.3554250026087509,0.26962644459986146,0.20562952369756,0.1571073102997547,0.12024854731205234,0.09220995479426977,1.65,2.0988112910367422,2.405970625945652,2.6232390262035157,2.779231741710213,2.894574997391249,2.9803735554001385,3.04437047630244,3.092892689700246,3.129751452687948,3.1577900452057306,second
+272,13.44,98,1.0096964860085933e+17,0.92,-0.08338160893905101,61.6,Ring,Base,1,0.015264324686668919,0.011973053780893635,9.38,9.369943270334193,9.361111474480973,9.353353846369636,9.346532678608705,9.340532997517965,9.335264288606089,9.33064174336386,9.326586024832643,9.323023267604386,9.319885077821613,0.49,0.4799432703341923,0.47111147448097057,0.4633538463696351,0.4565326786087044,0.4505329975179644,0.4452642886060873,0.44064174336385803,0.43658602483264186,0.4330232676043844,0.429885077821612,4.74,4.750056729665808,4.75888852551903,4.766646153630365,4.773467321391296,4.779467002482035,4.784735711393913,4.789358256636142,4.793413975167359,4.796976732395616,4.800114922178388,second
+280,6.5,92,2.6332254980412938e+17,1.7,0.5306282510621704,33.9,Linear,Acid,1,1.8074150451202449,1.475559928296373,8.81,6.313221421588934,6.13149535020506,6.119156325221227,6.117951067462383,6.113342849550306,6.118682537722524,6.121386268470871,6.119345756481515,6.114847351596417,6.118682041444187,3.09,3.09,3.09,3.09,3.09,3.09,3.09,3.09,3.09,3.09,3.09,4.8,7.2967785784110655,7.47850464979494,7.490843674778772,7.4920489325376165,7.4966571504496935,7.491317462277475,7.488613731529129,7.490654243518485,7.495152648403582,7.491317958555812,first
+279,11.36,93,1.4376268121089758e+17,0.88,-0.12783337150988489,41.5,Ring,None,1,0.5565070116296663,0.44508490642342635,7.88,1.6682897398795986,1.6645003661897442,1.6652205094882588,1.6663888988589792,1.6654521223292789,1.664118551471896,1.6639758942123708,1.6654747005056727,1.666673590987952,1.6652245643424166,4.59,1.4841448699397992,1.4822501830948718,1.4826102547441289,1.4831944494294893,1.482726061164639,1.4820592757359476,1.481987947106185,1.482737350252836,1.4833367954939758,1.4826122821712082,2.03,5.1358551300602,5.137749816905128,5.137389745255871,5.13680555057051,5.13727393883536,5.137940724264052,5.1380120528938145,5.137262649747164,5.136663204506024,5.137387717828792,third
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+272,6.07,95,2.7647076854298956e+16,3.11,1.1346227261911428,26.0,Unknown,None,0,0.015749766917270053,0.009941829220549576,5.69,5.394722207872969,5.132728078874209,4.898548749330235,4.68790623601056,4.497857256587284,4.325757006788363,4.169218843066281,4.026114282598045,3.8945730032851893,3.7729828437537707,4.38,4.084722207872969,3.8227280788742086,3.5885487493302337,3.37790623601056,3.187857256587283,3.0157570067883617,2.8592188430662793,2.7161142825980438,2.584573003285188,2.46298284375377,4.98,5.2752777921270315,5.537271921125792,5.771451250669766,5.9820937639894405,6.172142743412717,6.344242993211638,6.50078115693372,6.643885717401956,6.7754269967148115,6.89701715624623,second
+274,5.76,99,2.7068290800323894e+17,2.07,0.7275486072772777,91.8,Unknown,Base,0,0.03619756324747104,0.018311487506356396,7.96,3.8366401152818934,2.920584768054816,2.464428149749824,2.1811410048891737,1.9810253721324975,1.8322727705641078,1.7154272639514279,1.6199302646812244,1.540580172670065,1.4731996901191213,3.74,1.678320057640947,1.2202923840274083,0.9922140748749122,0.8505705024445871,0.750512686066249,0.6761363852820541,0.6177136319757142,0.5699651323406124,0.5302900863350327,0.4965998450595609,4.34,6.401679942359054,6.859707615972592,7.087785925125088,7.229429497555413,7.329487313933751,7.403863614717946,7.4622863680242855,7.510034867659388,7.549709913664968,7.583400154940439,third
+280,11.51,90,1.481606811684624e+17,1.44,0.36464311358790924,52.8,Ring,None,1,2.401158641084638,1.5269301654479999,1.88,0.7750094088267699,0.7742024210316069,0.77427634899088,0.7737723678592939,0.7739147582059114,0.774421117477927,0.7750248544027525,0.7749700068251777,0.7744527806067405,0.7746309626710745,0.27,0.27,0.27,0.27,0.27,0.27,0.27,0.27,0.27,0.27,0.27,0.39,0.942495295586615,0.9428987894841967,0.9428618255045601,0.943113816070353,0.9430426208970444,0.9427894412610366,0.9424875727986239,0.9425149965874113,0.9427736096966298,0.9426845186644629,second
+279,2.11,94,4.21772294642586e+17,4.51,1.506297153514587,188.0,Ring,Base,0,1.0609009328425991,0.8758976809891516,3.68,3.360018850413592,3.359997135616884,3.359999544290763,3.3600036397871267,3.360001451780958,3.3600011277080437,3.359999702459164,3.3599996562088785,3.3599972104155835,3.3600005347457786,0.16,9.42520679568418e-06,-1.4321915580319324e-06,-2.2785461851542075e-07,1.8198935633026188e-06,7.258904788733432e-07,5.638540217537935e-07,-1.4877041804820243e-07,-1.7189556089303826e-07,-1.3947922081849012e-06,2.6737288927012197e-07,0.96,1.119990574793204,1.1200014321915581,1.1200002278546186,1.1199981801064367,1.119999274109521,1.1199994361459782,1.120000148770418,1.1200001718955608,1.1200013947922083,1.1199997326271107,third
+270,9.61,98,7.176024466466256e+16,1.05,0.04879016416943205,135.5,Branched,Base,1,0.007869723104245661,0.00550326511657241,8.6,7.786701786566422,7.121631350819078,6.566637259902116,6.098424286124155,5.701996214092856,5.363416889398238,5.0697882231756,4.809314481711717,4.57730380683291,4.371485877299011,2.7,2.7,2.7,2.7,2.7,2.7,2.7,2.7,2.7,2.7,2.7,3.17,3.576649106716789,3.909184324590461,4.186681370048942,4.420787856937922,4.619001892953571,4.788291555300881,4.9351058884122,5.065342759144141,5.181348096583545,5.284257061350495,second
+278,9.69,93,3.9831250502794016e+17,4.83,1.5748464676644813,48.1,Branched,Base,0,1.3347953746351424,1.0495890392183094,6.96,2.3953481646648123,0.8245702664710943,0.2837076588824719,0.09759893217020088,0.03357380763330469,0.011549977888562081,0.0039738989423485655,0.001367447438020298,0.0004705577944985268,0.0001622575136063498,4.61,4.61,4.61,4.61,4.61,4.61,4.61,4.61,4.61,4.61,4.61,1.97,1.97,1.97,1.97,1.97,1.97,1.97,1.97,1.97,1.97,1.97,first
+279,3.5,90,3.137683353040441e+17,1.0,0.0,79.5,Ring,Enzyme,0,4.427072880890851,3.7945231684097025,6.54,5.560001251530552,5.5599992199678026,5.559997325996513,5.559999315031093,5.559999400434695,5.559999461542887,5.560000462976304,5.560000700088943,5.560001492031669,5.560001038824799,0.49,6.257652742064057e-07,-3.9001609940747624e-07,-1.3370017427005636e-06,-3.424844529215219e-07,-2.997826534278909e-07,-2.692285574067493e-07,2.3148815145642723e-07,3.500444704740638e-07,7.460158335316254e-07,5.19412398320171e-07,3.27,3.759999374234724,3.7600003900160988,3.7600013370017433,3.7600003424844535,3.7600002997826527,3.7600002692285566,3.759999768511848,3.7599996499555286,3.7599992539841653,3.7599994805876005,third
+272,7.66,98,3.311717009304864e+17,1.39,0.3293037471426003,22.9,Unknown,Base,1,0.05006566270248797,0.039609641504079134,7.37,5.771942463426774,5.520804750087842,5.4619136865520055,5.4469972885884514,5.44312961362637,5.442053764676649,5.441864894561003,5.441737516837625,5.441801831460568,5.441756089356154,1.12,0.3209712317133867,0.1954023750439205,0.16595684327600219,0.15849864429422553,0.15656480681318485,0.15602688233832385,0.15593244728050087,0.15586875841881181,0.15590091573028342,0.15587804467807673,4.87,5.669028768286613,5.79459762495608,5.824043156723998,5.831501355705775,5.833435193186816,5.833973117661677,5.8340675527195,5.834131241581189,5.834099084269718,5.8341219553219235,third
+272,5.94,90,2.4964721801181014e+17,1.04,0.03922071315328133,142.3,Ring,Acid,1,1.2977227249663017,0.9784253720109122,9.16,1.5534087022411385,1.5537996409851536,1.5539440451091138,1.5537008326068877,1.5536039187263442,1.5538423434071102,1.5539093587574222,1.5537619223648378,1.55375064591472,1.5551362426556508,4.91,4.91,4.91,4.91,4.91,4.91,4.91,4.91,4.91,4.91,4.91,2.45,4.985530432586287,4.985400119671614,4.9853519849636285,4.985433055797703,4.985465360424551,4.985385885530962,4.9853635470808575,4.985412692545051,4.985416451361755,4.984954585781443,third
+275,1.87,94,6.845001931296441e+16,2.28,0.8241754429663494,51.7,Branched,None,0,0.09549464934542384,0.056032490460846136,9.51,9.43360428052366,9.357208561047322,9.280812841570983,9.204417122094643,9.128021402618305,9.051625683141966,8.975229963665626,8.898834244189286,8.822438524712949,8.746042805236609,2.66,2.66,2.66,2.66,2.66,2.66,2.66,2.66,2.66,2.66,2.66,3.42,3.496395719476339,3.5727914389526783,3.6491871584290174,3.7255828779053566,3.8019785973816957,3.878374316858035,3.9547700363343736,4.031165755810713,4.107561475287052,4.183957194763391,zero
+276,10.24,97,1.1336667437725893e+17,0.71,-0.342490308946776,75.2,Ring,Acid,0,0.04965877434208597,0.033283090414877925,3.74,1.8003186802879345,1.3533606954746937,1.1303605923504378,0.9896240086575687,0.8920319547238023,0.8175940391791934,0.7595414526657746,0.7127404446729321,0.6732899623530094,0.6396196260632978,3.6,3.6,3.6,3.6,3.6,3.6,3.6,3.6,3.6,3.6,3.6,4.52,5.166560439904021,5.315546434841768,5.389879802549853,5.436791997114143,5.469322681758732,5.494135320273602,5.513486182444741,5.529086518442355,5.542236679215663,5.553460124645567,third
+275,11.58,93,5.753684942477673e+16,1.86,0.62057648772511,134.6,Unknown,Base,0,0.12430899243206239,0.06547404492360809,1.18,0.8744574865715053,0.726655576986688,0.6339632056562454,0.5691901243757903,0.5216161586660106,0.4840467901361879,0.45330110322820355,0.4279063619963985,0.40648939960371766,0.3879407141906891,0.85,0.85,0.85,0.85,0.85,0.85,0.85,0.85,0.85,0.85,0.85,1.26,1.3618475044761649,1.4111148076711038,1.4420122647812514,1.4636032918747364,1.479461280444663,1.4919844032879372,1.5022329655905986,1.5106978793345338,1.5178368667987607,1.5240197619364368,third
+274,4.07,100,4.1317163115332755e+17,4.41,1.4838746894587547,124.1,Ring,Enzyme,1,0.03562088778226572,0.03172700021946228,5.84,4.266013455737292,3.7464871001257007,3.5015637961425163,3.36875277286392,3.291731700435622,3.2459707773093696,3.2179284671232296,3.2003638683130187,3.1898696430944264,3.1830507761559055,1.75,0.9630067278686467,0.7032435500628509,0.5807818980712586,0.5143763864319605,0.4758658502178116,0.45298538865468546,0.4389642335616154,0.4301819341565099,0.42493482154721374,0.4215253880779532,3.36,4.146993272131354,4.406756449937149,4.529218101928742,4.595623613568041,4.634134149782189,4.657014611345315,4.6710357664383855,4.679818065843491,4.685065178452787,4.6884746119220475,third
+276,1.99,92,4.37471906212423e+16,3.63,1.2892326482767593,146.4,Unknown,None,0,0.16934588388836658,0.12292839477065547,2.06,1.5701291157603356,1.2621493712318277,1.0498422236983531,0.8958551570974043,0.7774522054285982,0.6847410224955681,0.6103090309822625,0.5485820622682795,0.4967962440868755,0.4528184066487238,2.27,1.7801291157603352,1.4721493712318272,1.2598422236983526,1.1058551570974038,0.9874522054285977,0.8947410224955676,0.820309030982262,0.7585820622682791,0.706796244086875,0.6628184066487233,2.45,2.939870884239665,3.247850628768173,3.4601577763016476,3.614144842902596,3.7325477945714027,3.825258977504433,3.899690969017738,3.961417937731721,4.013203755913125,4.057181593351277,second
+278,1.41,92,2.1978633411659222e+17,3.9,1.3609765531356006,179.5,Linear,Enzyme,1,1.1352528786515663,0.9403621618713515,1.73,1.0585655521863333,1.0530418210367578,1.0535784020936843,1.0523508662582053,1.052156892630945,1.0540842840290792,1.0524537099507427,1.0535019945034974,1.0543432552385312,1.0532753091358542,2.67,2.67,2.67,2.67,2.67,2.67,2.67,2.67,2.67,2.67,2.67,1.0,1.3357172239068336,1.3384790894816214,1.338210798953158,1.3388245668708973,1.3389215536845276,1.3379578579854603,1.3387731450246287,1.3382490027482512,1.3378283723807345,1.3383623454320728,second
+276,5.55,99,1.4520929912290826e+17,4.65,1.536867219599265,97.7,Branched,Base,0,0.02660599247380511,0.01652093973422856,1.39,1.3340085224346843,1.2817475918324326,1.2328586483692463,1.1870237968223067,1.1439765939458457,1.1034772564834492,1.065307568981849,1.0292708837909232,0.9951921210636955,0.9629177687563353,1.96,1.9040085224346843,1.8517475918324326,1.8028586483692464,1.7570237968223068,1.7139765939458458,1.6734772564834492,1.6353075689818493,1.5992708837909233,1.5651921210636957,1.5329177687563353,4.57,4.625991477565315,4.678252408167567,4.727141351630753,4.772976203177693,4.816023406054154,4.8565227435165506,4.89469243101815,4.9307291162090765,4.964807878936304,4.997082231243664,second
+272,9.75,91,8.73946139420023e+16,4.67,1.541159071680806,45.7,Linear,Enzyme,0,0.2919401277404636,0.21986562663811715,6.95,5.502412130350589,4.356115381130401,3.4467831232673563,2.7285913591579707,2.1623178320487746,1.7129049213485004,1.3553073604471806,1.0728333010773277,0.850184842150632,0.6736134907410983,0.32,0.32,0.32,0.32,0.32,0.32,0.32,0.32,0.32,0.32,0.32,3.95,5.397587869649412,6.543884618869599,7.453216876732644,8.17140864084203,8.737682167951226,9.1870950786515,9.54469263955282,9.827166698922673,10.04981515784937,10.226386509258903,first
+273,12.23,91,2.9358489467188416e+17,2.31,0.8372475245337022,112.4,Unknown,Enzyme,0,1.1364705431013888,0.6797255847616777,5.1,3.659623264466417,3.6214659521525023,3.620054937090212,3.620002150798988,3.6199999405169363,3.6199994600809338,3.6199994024367905,3.6199993531564583,3.6199994632011494,3.620000656839118,1.48,0.03962326446641806,0.0014659521525034586,5.4937090213305345e-05,2.150798989047031e-06,-5.9483062691526794e-08,-5.399190652753496e-07,-5.975632084502259e-07,-6.468435405493916e-07,-5.367988493078963e-07,6.568391187519202e-07,0.07,1.5103767355335818,1.5485340478474965,1.5499450629097864,1.5499978492010107,1.5500000594830625,1.550000539919065,1.550000597563208,1.55000064684354,1.550000536798849,1.5499993431608807,second
+273,7.71,100,1.570091563221268e+17,2.58,0.9477893989335261,159.5,Ring,Acid,0,0.011525669529575212,0.009998517932002252,1.57,1.431774682694269,1.317944366184927,1.2220474922977638,1.1398402940912296,1.0692132425343424,1.0082182423324904,0.9549790657705814,0.907691352713042,0.8646226106038175,0.8250629954144378,3.37,3.3008873413471345,3.2439721830924637,3.1960237461488816,3.1549201470456145,3.1196066212671707,3.0891091211662447,3.0624895328852904,3.038845676356521,3.0173113053019085,2.9975314977072185,3.34,3.4091126586528655,3.4660278169075363,3.5139762538511183,3.5550798529543854,3.5903933787328293,3.6208908788337553,3.6475104671147096,3.671154323643479,3.6926886946980915,3.7124685022927815,third
+272,7.98,90,2.7600247604241277e+17,4.98,1.6054298910365616,154.2,Linear,Base,0,1.4347233194093194,0.9764435069860499,2.13,0.36284922838091827,0.19823396602099516,0.1364157863178359,0.10404835661658662,0.08396735773591207,0.07051077917176252,0.060681788420997716,0.05327395522453631,0.04753078872661831,0.042867028659108505,3.85,3.85,3.85,3.85,3.85,3.85,3.85,3.85,3.85,3.85,3.85,1.72,2.603575385809541,2.6858830169895027,2.7167921068410825,2.7329758216917073,2.7430163211320444,2.749744610414119,2.754659105789502,2.7583630223877322,2.7612346056366914,2.763566485670446,second
+273,8.63,99,3.0744343893467932e+16,4.49,1.501852701754163,95.5,Branched,Acid,0,0.0035062994261665726,0.0023904176594072755,8.73,8.38513734963659,8.121957283840162,7.9149238160377555,7.749884044584714,7.616834292124468,7.507208849580899,7.4150911076951,7.337943048756369,7.27296273000078,7.21784213069564,0.93,0.7575686748182952,0.6259786419200811,0.5224619080188775,0.4399420222923569,0.3734171460622333,0.3186044247904495,0.27254555384754997,0.23397152437818386,0.20148136500038977,0.17392106534781976,3.56,3.732431325181705,3.8640213580799188,3.9675380919811225,4.0500579777076435,4.116582853937767,4.171395575209551,4.21745444615245,4.256028475621816,4.288518634999611,4.316078934652181,third
+280,13.1,98,1.2595798992091618e+17,2.29,0.8285518175661483,142.7,Ring,None,1,0.06568125189235914,0.044927470951367225,8.45,4.628345772962243,3.334414669480542,2.730375028195379,2.4038474441253572,2.213733917210338,2.09933673175907,2.0282832238963815,1.982777154003997,1.9549164050158812,1.9365758236708772,4.96,4.96,4.96,4.96,4.96,4.96,4.96,4.96,4.96,4.96,4.96,2.02,3.930827113518878,4.577792665259729,4.87981248590231,5.04307627793732,5.1381330413948305,5.195331634120465,5.230858388051809,5.253611422998,5.267541797492059,5.276712088164561,second
+275,2.56,98,1.273270408055361e+17,4.08,1.4060969884160703,196.4,Unknown,Enzyme,0,0.030883185234347525,0.024197428365882737,6.04,3.0807624669180305,2.2407953312205113,1.8068490269615336,1.5336047870549372,1.342221908690862,1.1999079884574442,1.0873258042122056,0.9969460856353028,0.9227435317447168,0.8598523318580992,4.19,2.7103812334590156,2.2903976656102563,2.0734245134807674,1.9368023935274692,1.8411109543454316,1.7699539942287228,1.7136629021061036,1.6684730428176522,1.6313717658723592,1.5999261659290505,2.96,4.439618766540985,4.859602334389744,5.076575486519233,5.213197606472532,5.308889045654569,5.380046005771278,5.436337097893897,5.481526957182348,5.518628234127641,5.55007383407095,third
+270,5.34,95,4.819153417123664e+17,2.51,0.9202827531436925,170.7,Ring,Acid,1,0.20111855695821013,0.12059926399134695,7.63,6.902311666768146,6.339817505623633,5.903384530339319,5.566442810642202,5.308273669922974,5.109346633025208,4.953528747752266,4.83298068113946,4.740285671550658,4.668676202965185,1.38,1.38,1.38,1.38,1.38,1.38,1.38,1.38,1.38,1.38,1.38,4.17,4.897688333231854,5.460182494376367,5.896615469660681,6.233557189357798,6.491726330077025,6.690653366974793,6.846471252247734,6.967019318860539,7.059714328449342,7.131323797034815,first
+277,8.74,97,2.9958363071107366e+17,0.63,-0.4620354595965587,133.6,Ring,Base,1,0.15286385383527648,0.08030202495072414,3.46,3.134941002225218,2.865175243399264,2.6408154739357372,2.4547288934175193,2.3008830951893495,2.173675527510777,2.0679334935561666,1.9797492250865767,1.9065877959315338,1.845884956080016,1.43,1.43,1.43,1.43,1.43,1.43,1.43,1.43,1.43,1.43,1.43,1.04,1.365058997774782,1.6348247566007363,1.859184526064263,2.0452711065824807,2.199116904810651,2.3263244724892234,2.432066506443834,2.5202507749134235,2.5934122040684664,2.654115043919984,first
+271,12.85,90,3.6709966908372704e+17,0.54,-0.616186139423817,182.4,Branched,None,1,1.6476313236256652,1.322973294735241,9.27,6.451644133745903,6.4513199466307904,6.451115843653691,6.45174810648131,6.452308050589394,6.45255853052494,6.451696918877375,6.451212258080419,6.451429083817431,6.451885241453936,3.53,0.7116441337459032,0.7113199466307907,0.7111158436536907,0.7117481064813095,0.712308050589394,0.7125585305249403,0.7116969188773754,0.7112122580804195,0.7114290838174308,0.7118852414539357,2.9,5.718355866254097,5.7186800533692095,5.718884156346309,5.71825189351869,5.7176919494106055,5.71744146947506,5.718303081122625,5.718787741919581,5.718570916182569,5.718114758546064,second
+270,2.84,98,1.826956003331778e+17,1.94,0.6626879730752367,128.9,Ring,Base,1,0.020035658932111327,0.011875165736454541,7.82,7.561842184018274,7.342940608366701,7.155593348331147,6.994524095706673,6.855965441545046,6.736431876948658,6.632718909852045,6.5419030650218835,6.461584722491432,6.390904783439326,2.38,2.121842184018273,1.9029406083667002,1.715593348331146,1.5545240957066715,1.415965441545045,1.2964318769486574,1.1927189098520437,1.1019030650218822,1.0215847224914307,0.9509047834393242,1.85,2.108157815981727,2.3270593916333,2.5144066516688537,2.6754759042933283,2.8140345584549546,2.933568123051342,3.037281090147956,3.1280969349781174,3.208415277508569,3.2790952165606755,second
+279,5.5,94,2.4748500621621485e+17,2.92,1.0715836162801904,156.1,Linear,None,1,0.6225090583103194,0.4870830907276727,3.64,3.6249275798191154,3.6231092804594955,3.6231563160921127,3.6227518947452926,3.622541923373318,3.62310365120338,3.6236234795070095,3.623297830617415,3.6220402574732704,3.6234739445203266,0.93,0.9149275798191155,0.9131092804594958,0.9131563160921127,0.9127518947452923,0.912541923373318,0.9131036512033802,0.9136234795070096,0.9132978306174151,0.9120402574732707,0.9134739445203268,4.21,4.225072420180885,4.2268907195405045,4.226843683907887,4.2272481052547075,4.227458076626681,4.22689634879662,4.22637652049299,4.226702169382585,4.227959742526728,4.226526055479673,second
+277,2.04,97,2.89963436855116e+17,2.38,0.8671004876833833,177.6,Linear,Base,0,0.1479551079736496,0.09861855326001617,8.2,7.284654161541693,6.4714441897224715,5.748118040727943,5.105241720916488,4.534648578403754,4.028617989967284,3.579875361046516,3.181592125742779,2.8273857468193007,2.5118368780819043,0.22,0.22,0.22,0.22,0.22,0.22,0.22,0.22,0.22,0.22,0.22,2.74,3.6553458384583073,4.468555810277529,5.191881959272058,5.834758279083513,6.405351421596246,6.911382010032716,7.360124638953485,7.758407874257221,8.1126142531807,8.428163121918097,first
+271,12.94,97,4.442408565147812e+17,3.39,1.220829921392359,23.3,Linear,Base,0,0.08920959557285706,0.07623046693810653,7.39,3.607180579354564,2.3826854869923575,1.7801530536828303,1.4212074977078788,1.1816359591860046,1.0117043820989098,0.885090464340217,0.7857315938378066,0.7066259481242341,0.642012674408846,3.11,3.11,3.11,3.11,3.11,3.11,3.11,3.11,3.11,3.11,3.11,3.4,5.291409710322717,5.903657256503821,6.204923473158583,6.384396251146059,6.504182020406996,6.5891478089505435,6.65245476782989,6.702134203081095,6.741687025937882,6.773993662795576,second
+279,2.96,90,1.3016430869119634e+17,0.97,-0.030459207484708574,159.1,Linear,Enzyme,1,1.8365361198997747,1.5610850514156596,3.98,1.028063142635749,1.0262453467183772,1.02811521135026,1.026644986607858,1.0271455150037987,1.027273122149916,1.0267886817550782,1.0278914118967992,1.0262422475255182,1.0277984919204382,0.73,0.73,0.73,0.73,0.73,0.73,0.73,0.73,0.73,0.73,0.73,0.29,1.2739789524547505,1.2745848844272076,1.2739615962165798,1.2744516711307141,1.274284828332067,1.2742422926166943,1.274403772748307,1.2740361960344,1.2745859174914935,1.2740671693598535,third
+274,6.07,98,2.5483078555540576e+17,2.75,1.0116009116784799,66.3,Branched,None,0,0.05285847783860883,0.03543928392125335,2.52,2.4156589703532827,2.315638212622517,2.2197587228403175,2.127848069089592,2.039742962714195,1.9552866690619255,1.8743282277567164,1.7967224526986345,1.7223299320638794,1.6510170283047856,0.69,0.69,0.69,0.69,0.69,0.69,0.69,0.69,0.69,0.69,0.69,4.61,4.714341029646717,4.814361787377483,4.910241277159682,5.002151930910408,5.090257037285805,5.174713330938074,5.255671772243283,5.333277547301366,5.40767006793612,5.478982971695214,first
+270,6.55,99,3.498798952599074e+17,2.48,0.9082585601768908,148.5,Unknown,Acid,0,0.024576832644219032,0.019304853806673624,1.37,1.343326866930172,1.3171730450183883,1.2915284235764777,1.266383083031943,1.2417273030394265,1.217551563020735,1.1938465191566543,1.170603003985951,1.1478120264053717,1.125464771669644,4.18,4.18,4.18,4.18,4.18,4.18,4.18,4.18,4.18,4.18,4.18,3.78,3.806673133069828,3.832826954981612,3.8584715764235225,3.8836169169680574,3.9082726969605734,3.932448436979265,3.9561534808433456,3.979396996014049,4.002187973594628,4.024535228330356,first
+273,10.22,93,3.7499549279330106e+17,1.72,0.5423242908253617,186.1,Linear,Base,0,0.601402664825284,0.37089087568604584,7.99,7.508877868139773,7.027755736279546,6.546633604419319,6.065511472559091,5.5843893406988645,5.103267208838637,4.622145076978409,4.141022945118182,3.6599008132579565,3.1787786813977297,2.84,2.84,2.84,2.84,2.84,2.84,2.84,2.84,2.84,2.84,2.84,4.68,5.1611221318602265,5.642244263720454,6.123366395580681,6.604488527440909,7.085610659301135,7.566732791161363,8.04785492302159,8.528977054881818,9.010099186742043,9.491221318602271,zero
+272,7.87,99,2.823031256459475e+17,4.7,1.547562508716013,79.9,Linear,Enzyme,0,0.027425615536426046,0.023964062152140805,7.95,4.182820820268729,3.204070481450018,2.7043354822690446,2.3862332920014806,2.163855953949289,1.994344664265804,1.8615197302822883,1.753968359001688,1.6634305909918583,1.5862136727348295,3.83,1.9464104101343638,1.4570352407250085,1.2071677411345219,1.0481166460007398,0.9369279769746441,0.8521723321329017,0.7857598651411439,0.7319841795008435,0.6867152954959287,0.6481068363674143,2.55,4.433589589865637,4.922964759274992,5.172832258865478,5.33188335399926,5.443072023025356,5.527827667867098,5.594240134858856,5.648015820499156,5.69328470450407,5.731893163632585,third
+280,3.61,98,1.3628077949086395e+17,3.93,1.3686394258811698,182.0,Linear,None,1,0.0710641080525857,0.042772318282098994,2.82,2.3633808076747633,2.11265638094473,1.9588156550169353,1.8652709841954465,1.8047433098961159,1.7665544418095072,1.742302854545344,1.7257595668475443,1.715158124670836,1.7083447560949407,1.08,1.08,1.08,1.08,1.08,1.08,1.08,1.08,1.08,1.08,1.08,4.21,4.438309596162618,4.563671809527635,4.640592172491532,4.687364507902277,4.717628345051942,4.736722779095246,4.748848572727328,4.7571202165762285,4.762420937664582,4.76582762195253,second
+279,5.85,91,3.4278989460831226e+17,2.3,0.8329091229351039,30.8,Linear,Acid,1,3.1427358144216684,2.644507307543621,8.37,7.312408922030762,7.312190107712609,7.312217344005744,7.3123559139663845,7.312128084216196,7.312305074645454,7.312233204726246,7.312132364469658,7.312419326004579,7.312378190612349,1.29,0.232408922030763,0.23219010771260926,0.23221734400574498,0.23235591396638466,0.23212808421619543,0.23230507464545333,0.23223320472624442,0.23213236446965868,0.23241932600457935,0.2323781906123495,0.96,2.017591077969237,2.017809892287391,2.0177826559942553,2.0176440860336156,2.0178719157838048,2.017694925354547,2.0177667952737557,2.017867635530341,2.01758067399542,2.0176218093876495,second
+279,7.44,90,2.2286936060752032e+17,0.55,-0.5978370007556204,177.0,Ring,Acid,0,3.1445458043781134,1.732823129142902,7.69,0.6225572089570353,0.05048193619139052,0.004085157766482685,0.0003317490979854468,2.7113635353582187e-05,2.0772241663787508e-06,1.37170995508394e-07,-2.607457829355025e-07,6.276020519987592e-08,2.7001068557496985e-07,4.78,4.78,4.78,4.78,4.78,4.78,4.78,4.78,4.78,4.78,4.78,4.31,4.31,4.31,4.31,4.31,4.31,4.31,4.31,4.31,4.31,4.31,first
+270,12.63,92,1.9671936745406384e+17,1.05,0.04879016416943205,73.0,Ring,Base,1,0.3124167873045113,0.17976129926002468,5.44,1.3728277775007434,1.336793776247501,1.3357342277121569,1.3361034315965834,1.3369642274074982,1.3367854189937822,1.3364759524125123,1.3362469138828115,1.3359420679263656,1.336274485537907,4.24,2.2064138887503715,2.1883968881237505,2.187867113856078,2.188051715798291,2.1884821137037487,2.188392709496891,2.188237976206256,2.1881234569414056,2.1879710339631826,2.188137242768953,4.73,6.763586111249628,6.781603111876249,6.782132886143922,6.781948284201708,6.781517886296251,6.781607290503109,6.7817620237937435,6.781876543058593,6.782028966036817,6.781862757231046,third
+271,13.0,97,4.184838195824758e+16,3.01,1.1019400787607843,147.8,Linear,None,0,0.008403723284622062,0.007228258769244542,4.27,4.263277021372302,4.256554042744604,4.249831064116906,4.243108085489209,4.236385106861511,4.229662128233813,4.222939149606115,4.216216170978418,4.20949319235072,4.2027702137230225,2.17,2.17,2.17,2.17,2.17,2.17,2.17,2.17,2.17,2.17,2.17,0.6,0.6067229786276975,0.6134459572553952,0.6201689358830929,0.6268919145107906,0.6336148931384882,0.6403378717661858,0.6470608503938835,0.6537838290215812,0.6605068076492788,0.6672297862769765,zero
+280,1.52,98,3.768878793809958e+17,1.86,0.62057648772511,30.5,Ring,Acid,0,0.19652955526158017,0.1687676682285155,3.01,1.4725475344227994,1.095977157034993,0.9060765573926591,0.7860756724813865,0.7023245110356795,0.6387254780039308,0.5891253800651448,0.5489196540722827,0.5150821023882696,0.48631955217587663,1.62,0.8512737672113999,0.6629885785174967,0.5680382786963298,0.5080378362406935,0.46616225551784,0.43436273900196565,0.4095626900325727,0.3894598270361416,0.37254105119413505,0.3581597760879386,4.02,4.7887262327885995,4.977011421482502,5.07196172130367,5.131962163759306,5.17383774448216,5.205637260998034,5.230437309967427,5.250540172963858,5.2674589488058645,5.281840223912061,third
+279,13.81,94,2.751837316489951e+17,4.81,1.5706970841176697,169.8,Branched,Enzyme,0,0.6921807840814236,0.5002670845729906,4.11,3.4107907562603224,3.4100011037610143,3.409997810603898,3.409999938104218,3.4099992914708825,3.4100010734710744,3.4100002969376453,3.410001884125493,3.4100015005803046,3.410001017810104,0.35,0.00039537813016093357,5.518805068585246e-07,-1.0946980512662965e-06,-3.094789126236101e-08,-3.542645589111702e-07,5.367355368430367e-07,1.484688222196218e-07,9.420627461690425e-07,7.502901521431076e-07,5.089050516394626e-07,4.9,5.249604621869839,5.249999448119493,5.25000109469805,5.2500000309478905,5.250000354264557,5.249999463264462,5.249999851531177,5.249999057937253,5.249999249709847,5.249999491094948,third
+275,12.52,92,7.622767385232704e+16,1.49,0.3987761199573678,40.2,Branched,None,1,0.2550469544244456,0.1920494124106653,4.64,2.8980402889050128,2.8213722556925087,2.8147609520794568,2.814138783039577,2.8141267984117966,2.8134441493150946,2.8146248363901183,2.814309088652421,2.813871546579751,2.8141306955584646,1.19,0.3190201444525064,0.28068612784625446,0.2773804760397286,0.27706939151978877,0.2770633992058987,0.27672207465754756,0.2773124181950595,0.2771545443262109,0.2769357732898757,0.27706534777923253,2.0,2.8709798555474935,2.9093138721537457,2.912619523960272,2.912930608480212,2.9129366007941018,2.913277925342453,2.9126875818049407,2.9128454556737893,2.9130642267101248,2.912934652220768,third
+270,1.19,93,9.55904414872334e+16,3.95,1.3737155789130306,27.0,Ring,None,1,0.097237345240696,0.07470104570665644,8.1,7.913461421554443,7.912249600029896,7.912296131204716,7.912165033332348,7.9123418059089845,7.912227877857445,7.9123089822545,7.9122096430023685,7.912307718570114,7.912264744761575,0.13,0.03673071077722127,0.0361248000149477,0.03614806560235779,0.03608251666617404,0.03617090295449207,0.036113938928722056,0.036154491127249604,0.036104821501183895,0.03615385928505682,0.0361323723807869,2.85,2.943269289222779,2.9438751999850523,2.9438519343976424,2.943917483333826,2.943829097045508,2.943886061071278,2.94384550887275,2.943895178498816,2.9438461407149434,2.943867627619213,third
+271,9.21,96,3.57417619198906e+17,4.89,1.5871923034867805,83.0,Ring,Base,0,0.11187260242114591,0.0739447188392584,4.66,4.65318254379081,4.648694526607762,4.64573010154033,4.643789930072948,4.642499425691541,4.6416512110121895,4.641090745328036,4.6407194958195745,4.640476208167622,4.640314365044813,0.02,0.013182543790809999,0.00869452660776183,0.005730101540329923,0.0037899300729476856,0.00249942569154014,0.0016512110121891064,0.0010907453280360297,0.000719495819574933,0.0004762081676230543,0.0003143650448143095,0.44,0.44681745620919,0.45130547339223814,0.4542698984596701,0.4562100699270523,0.45750057430845986,0.4583487889878109,0.458909254671964,0.45928050418042504,0.45952379183237696,0.45968563495518566,second
+276,8.78,98,3.3416702193231443e+17,2.0,0.6931471805599453,172.5,Unknown,Enzyme,1,0.09466978708490485,0.06823167167480149,3.88,2.6082574591832826,2.0743116092507785,1.8067325137940569,1.6623568034354204,1.578369779412024,1.5302947660901562,1.5006445693311428,1.4832099924986029,1.4729989018288534,1.46638931498306,0.06,0.06,0.06,0.06,0.06,0.06,0.06,0.06,0.06,0.06,0.06,1.73,2.3658712704083587,2.632844195374611,2.7666337431029717,2.8388215982822897,2.8808151102939883,2.9048526169549223,2.9196777153344287,2.928395003750699,2.9335005490855735,2.9368053425084706,second
+271,8.97,94,2.439423314913753e+17,3.0,1.0986122886681098,34.6,Linear,Enzyme,1,0.18550019683517185,0.13790325312942742,7.45,2.8216386464567784,2.2441486758768314,2.1118048963163885,2.078429248149128,2.069519967486581,2.0666910887092937,2.066735756285784,2.065683591747014,2.0663340283204343,2.066479885024582,0.03,0.03,0.03,0.03,0.03,0.03,0.03,0.03,0.03,0.03,0.03,3.05,5.3641806767716105,5.652925662061584,5.719097551841806,5.735785375925436,5.74024001625671,5.741654455645353,5.741632121857108,5.7421582041264925,5.741832985839783,5.741760057487709,second
+278,10.28,99,3.136054111926611e+17,3.4,1.2237754316221157,25.8,Branched,None,0,0.07837314075718818,0.05616806457817825,2.22,1.736446626914161,1.4266942966702452,1.209958559955003,1.0519539604189483,0.9294353918507464,0.8322849479151012,0.7541703950370234,0.6896393849112904,0.634785077666306,0.5879821535548226,3.11,3.11,3.11,3.11,3.11,3.11,3.11,3.11,3.11,3.11,3.11,1.16,1.4017766865429195,1.5566528516648774,1.6650207200224987,1.744023019790526,1.805282304074627,1.8538575260424497,1.8929148024814886,1.925180307544355,1.9526074611668474,1.976008923222589,second
+271,3.54,100,4.944002274909488e+16,3.48,1.247032293786383,157.5,Linear,Acid,1,0.0026218485598121775,0.0013839756995833404,2.56,2.462787439696119,2.376207254523214,2.298458374286165,2.228104273401018,2.1641619886018706,2.1057893043673848,2.0522409807360984,2.0028687533064247,1.9571213332366522,1.9145444072449445,4.53,4.53,4.53,4.53,4.53,4.53,4.53,4.53,4.53,4.53,4.53,0.7,0.7324041867679603,0.761264248492262,0.7871805419046118,0.8106319088663275,0.8319460037993767,0.8514035652108718,0.8692530064213005,0.8857104155645252,0.9009595555877827,0.9151518642516854,third
+271,8.14,93,1.9293636972399098e+17,3.36,1.2119409739751128,122.1,Linear,None,1,0.22867885956445405,0.11813695180625294,5.89,5.53860248708794,5.430272402449022,5.395357037138098,5.383932925319693,5.380145543854859,5.378857451287414,5.378498739677367,5.3783113197163095,5.378320713939268,5.378282017230819,0.68,0.32860248708793977,0.220272402449022,0.18535703713809817,0.17393292531969262,0.17014554385485872,0.1688574512874138,0.16849873967736728,0.16831131971630944,0.16832071393926848,0.16828201723081915,1.24,1.59139751291206,1.699727597550978,1.7346429628619018,1.7460670746803073,1.7498544561451412,1.751142548712586,1.7515012603226325,1.7516886802836904,1.7516792860607313,1.7517179827691807,second
+275,3.5,98,2.265810768908116e+16,0.73,-0.31471074483970024,126.2,Branched,None,0,0.005495726064115538,0.003305379189686203,8.83,8.825603419148708,8.821206838297416,8.816810257446123,8.812413676594831,8.808017095743539,8.803620514892247,8.799223934040954,8.79482735318966,8.790430772338368,8.786034191487076,3.18,3.18,3.18,3.18,3.18,3.18,3.18,3.18,3.18,3.18,3.18,4.76,4.764396580851292,4.768793161702584,4.773189742553877,4.77758632340517,4.781982904256462,4.786379485107755,4.790776065959047,4.7951726468103395,4.799569227661632,4.803965808512924,zero
+270,13.99,99,2.80022980699988e+17,4.61,1.5282278570085572,186.7,Ring,None,1,0.01966982963707202,0.011479873298641174,3.84,3.7461643706726284,3.677369957723238,3.6257844423536145,3.586843313237555,3.5574923059206567,3.534898524795606,3.517068712861206,3.503236651933653,3.492527909630289,3.4841559234511132,0.38,0.3330821853363141,0.29868497886161893,0.2728922211768073,0.25342165661877747,0.2387461529603283,0.22744926239780303,0.2185343564306029,0.2116183259668265,0.2062639548151442,0.20207796172555662,3.62,3.666917814663686,3.701315021138381,3.7271077788231928,3.7465783433812225,3.7612538470396717,3.772550737602197,3.781465643569397,3.7883816740331735,3.793736045184856,3.7979220382744434,third
+279,12.52,96,3.1615141068710336e+17,2.13,0.7561219797213337,98.7,Ring,Acid,1,0.33576584717065966,0.1913291201694317,5.03,4.640734977283558,4.639908930412992,4.639914834354744,4.639946907261688,4.639920765023574,4.639901853181957,4.639884788001744,4.639924521323658,4.639937702416282,4.639924097651753,0.21,0.015367488641779172,0.01495446520649618,0.01495741717737172,0.014973453630843845,0.014960382511787126,0.014950926590978398,0.014942394000872125,0.014962260661829036,0.014968851208141088,0.014962048825876694,0.37,0.5646325113582208,0.5650455347935037,0.5650425828226281,0.5650265463691561,0.5650396174882127,0.5650490734090214,0.5650576059991277,0.5650377393381708,0.5650311487918588,0.5650379511741233,third
+280,6.19,99,2.107004138011054e+17,3.69,1.3056264580524357,73.8,Linear,Enzyme,1,0.07150263811715697,0.061465335411238,2.7,2.0914801854530527,1.735490988810009,1.5096787299453651,1.356877286848861,1.2512681637742982,1.1753880983156146,1.1199420078499573,1.0796206926015695,1.049595462860897,1.0268307961972134,2.97,2.97,2.97,2.97,2.97,2.97,2.97,2.97,2.97,2.97,2.97,0.19,0.4942599072734735,0.6722545055949956,0.7851606350273174,0.8615613565755694,0.9143659181128508,0.9523059508421926,0.9800289960750213,1.0001896536992152,1.0152022685695512,1.0265846019013931,second
+280,7.2,93,2.207474404790781e+17,1.72,0.5423242908253617,164.8,Linear,Enzyme,1,0.9860671582845398,0.8664972433068916,7.34,5.644924655485085,5.258001550567298,5.1705616001052,5.151246089643702,5.146875218301046,5.144768024553133,5.145854671645184,5.143311181776272,5.144233534671013,5.148100600273089,1.18,1.18,1.18,1.18,1.18,1.18,1.18,1.18,1.18,1.18,1.18,3.66,5.355075344514915,5.741998449432702,5.8294383998948,5.848753910356298,5.853124781698954,5.855231975446867,5.854145328354816,5.856688818223728,5.855766465328987,5.851899399726911,first
+271,2.03,98,1.885818311695842e+17,1.15,0.13976194237515863,145.8,Branched,Base,1,0.024296191984194596,0.018418137781400414,6.96,6.832508605644837,6.709300156528232,6.590229984457354,6.47515961360807,6.363955408877912,6.2564877360300875,6.152630961693474,6.052263453362625,5.955267579397765,5.861529709024793,1.91,1.91,1.91,1.91,1.91,1.91,1.91,1.91,1.91,1.91,1.91,0.38,0.507491394355163,0.6306998434717682,0.7497700155426461,0.8648403863919303,0.9760445911220879,1.0835122639699128,1.187369038306526,1.2877365466373751,1.384732420602235,1.4784702909752072,first
+277,12.97,93,6.974130358965093e+16,0.89,-0.11653381625595151,97.8,Ring,Enzyme,1,0.20211328398158962,0.12680685376380524,5.43,3.906291308049976,3.3815080513280122,3.1610857468639866,3.0603710604111773,3.012305549056217,2.9896692361878516,2.9782185447881613,2.9730807254524607,2.970290193750901,2.968991416736596,3.3,1.7762913080499763,1.2515080513280126,1.0310857468639867,0.9303710604111776,0.882305549056217,0.8596692361878513,0.848218544788161,0.8430807254524606,0.8402901937509006,0.8389914167365954,1.5,3.0237086919500236,3.5484919486719875,3.768914253136013,3.8696289395888224,3.9176944509437828,3.940330763812148,3.9517814552118384,3.956919274547539,3.9597098062490987,3.961008583263404,second
+279,13.85,98,4.2428234517562426e+17,1.7,0.5306282510621704,180.4,Unknown,Acid,0,0.19025714190186563,0.13851237861413143,9.02,8.629394444984998,8.527881581683484,8.500395267997927,8.49285296940779,8.49078446614866,8.490216201287007,8.490059688611955,8.49001658426504,8.490004514222985,8.490001343895107,0.53,0.13939444498499715,0.03788158168348428,0.010395267997927197,0.0028529694077906783,0.0007844661486608416,0.00021620128700465042,5.9688611953747186e-05,1.6584265037779086e-05,4.514222983454117e-06,1.3438951051877305e-06,0.44,0.8306055550150029,0.9321184183165157,0.9596047320020729,0.9671470305922093,0.9692155338513392,0.9697837987129954,0.9699403113880463,0.9699834157349622,0.9699954857770166,0.9699986561048949,second
+278,7.88,90,3.1270250935709274e+17,2.27,0.8197798314933114,56.2,Linear,Base,1,3.8372990156283695,3.2888407950860143,6.98,4.92350926009311,4.9240626612606615,4.925187005949587,4.924576506930948,4.923323718243685,4.9240507681464525,4.924863473772542,4.923765520316646,4.922940796872573,4.924307636605906,3.03,0.9735092600931072,0.9740626612606597,0.975187005949585,0.9745765069309469,0.9733237182436838,0.9740507681464513,0.9748634737725408,0.9737655203166451,0.9729407968725718,0.9743076366059047,3.54,5.596490739906891,5.595937338739339,5.594812994050414,5.5954234930690525,5.596676281756316,5.595949231853548,5.595136526227458,5.596234479683354,5.5970592031274276,5.595692363394094,second
+279,10.22,97,1.7287419239342237e+17,2.14,0.7608058290337602,164.3,Ring,Acid,0,0.119300940032893,0.06975152361222976,3.11,1.218904668855944,0.8965562089875163,0.7427475268898532,0.647333716836499,0.5819740040229721,0.5325667105577906,0.49395938587961463,0.4630271127880924,0.4372009816405001,0.41507417002616026,3.12,3.12,3.12,3.12,3.12,3.12,3.12,3.12,3.12,3.12,3.12,1.19,1.820365110381352,1.9278145970041614,1.9790841577033822,2.0108887610545003,2.0326753319923427,2.0491444298140697,2.0620135380401283,2.0723242957373027,2.0809330061198335,2.08830860999128,third
+276,5.64,93,4.712195414479531e+16,1.44,0.36464311358790924,117.6,Linear,Acid,1,0.11797364327356158,0.06696329276147596,1.96,1.7101777744073172,1.5932096852360276,1.527578988191767,1.4934250787843186,1.4741893639878079,1.4645556389397665,1.458778684110576,1.455512084562386,1.4542330078883101,1.4532974379114634,4.41,4.41,4.41,4.41,4.41,4.41,4.41,4.41,4.41,4.41,4.41,3.46,3.584911112796341,3.643395157381986,3.676210505904116,3.69328746060784,3.7029053180060956,3.707722180530116,3.7106106579447116,3.7122439577188064,3.7128834960558446,3.713351281044268,second
+279,5.68,99,7.685085168638509e+16,2.72,1.000631880307906,198.8,Branched,Enzyme,0,0.022392727684134056,0.013402493592621741,9.6,9.582085817852693,9.564171635705385,9.546257453558077,9.52834327141077,9.510429089263464,9.492514907116156,9.47460072496885,9.456686542821542,9.438772360674236,9.420858178526927,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.75,1.7679141821473072,1.7858283642946144,1.8037425464419217,1.821656728589229,1.8395709107365361,1.8574850928838433,1.8753992750311506,1.893313457178458,1.9112276393257652,1.9291418214730724,zero
+280,12.68,97,4.349950045618003e+16,1.85,0.6151856390902335,141.0,Linear,Enzyme,1,0.03485451095742936,0.026372240157177002,8.72,7.841017437639459,7.217481842246576,6.758878572079867,6.415422024327971,6.1500318971887475,5.941682873257985,5.777916409230126,5.647789933998283,5.5425700085530245,5.457429490804775,4.52,3.6410174376394577,3.017481842246575,2.558878572079866,2.21542202432797,1.9500318971887467,1.741682873257984,1.577916409230124,1.447789933998282,1.3425700085530237,1.2574294908047736,2.18,3.0589825623605424,3.6825181577534254,4.141121427920134,4.48457797567203,4.749968102811254,4.958317126742016,5.122083590769876,5.252210066001718,5.357429991446977,5.442570509195226,second
+270,5.46,91,3.5852952824808692e+16,1.95,0.6678293725756554,180.8,Linear,Acid,0,0.08889570722806787,0.04733780822978027,4.8,1.4613181232803847,1.0584305692015192,0.8710963280833611,0.7572075929008042,0.6791852300580205,0.6211544643626424,0.5754286892009308,0.5388395006329577,0.5086645232966589,0.48280698709771025,4.45,4.45,4.45,4.45,4.45,4.45,4.45,4.45,4.45,4.45,4.45,4.48,5.592893958906539,5.727189810266162,5.789634557305548,5.8275974690330665,5.853604923313995,5.87294851187912,5.888190436933024,5.900386833122348,5.910445158901115,5.919064337634098,third
+272,4.6,100,3.002443060076045e+16,4.24,1.4445632692438664,21.4,Ring,Base,0,0.0018744308496676744,0.001243602889707859,6.38,6.378381553738269,6.376778918306377,6.3751919316199235,6.373620433392084,6.372064265103257,6.370523270056111,6.368997293269861,6.367486181450867,6.365989782992637,6.36450794797583,0.17,0.16838155373826832,0.1667789183063778,0.16519193161992354,0.163620433392084,0.16206426510325628,0.1605232700561111,0.158997293269861,0.15748618145086668,0.15598978299263708,0.15450794797582945,3.13,3.1316184462617316,3.133221081693622,3.1348080683800763,3.1363795666079155,3.1379357348967436,3.1394767299438886,3.1410027067301387,3.142513818549133,3.1440102170073625,3.1454920520241703,second
+274,5.77,91,2.7988994073436205e+17,2.04,0.712949807856125,101.3,Linear,Acid,0,1.2541799472550976,0.9019679414816605,8.83,8.290003080682517,8.290001390285566,8.289999677508565,8.289997296887952,8.289998873582682,8.290001919793642,8.290003913308345,8.290001554517533,8.28999984262215,8.290000480814493,0.27,1.5403412579228813e-06,6.951427786862167e-07,-1.612457216304032e-07,-1.351556027686051e-06,-5.632086637790574e-07,9.59896817656771e-07,1.9566541691927113e-06,7.772587641157984e-07,-7.86889292449515e-08,2.404072426992608e-07,4.31,4.579998459658741,4.579999304857217,4.580000161245717,4.580001351556024,4.5800005632086584,4.5799990401031785,4.579998043345827,4.579999222741233,4.580000078688925,4.579999759592753,third
+274,3.17,90,2.126484624421533e+17,4.9,1.589235205116581,176.0,Branched,None,0,1.4780157668389735,0.7785916557713262,7.62,0.40212150496824506,0.206657156732879,0.13902113923944354,0.10464933789444295,0.08397063272361559,0.07008678642387514,0.06019836899528256,0.052684103105377,0.046869959918975586,0.04221726045974906,0.08,0.08,0.08,0.08,0.08,0.08,0.08,0.08,0.08,0.08,0.08,4.66,8.268939247515878,8.366671421633562,8.40048943038028,8.41767533105278,8.428014683638196,8.434956606788065,8.43990081550236,8.443657948447314,8.446565020040515,8.448891369770127,second
+274,2.53,91,4.9524901507961875e+17,0.9,-0.10536051565782628,53.0,Unknown,Enzyme,0,2.2191986678084965,1.1857207710090647,2.1,0.0896340189676297,0.04664267972079135,0.031558234207495386,0.023834848260107098,0.019172693753515522,0.01602470284990468,0.013784171045016582,0.012075858148359615,0.010749286648906207,0.00968654719205949,3.93,2.9248170094838155,2.903321339860396,2.895779117103748,2.8919174241300545,2.8895863468767584,2.8880123514249534,2.886892085522509,2.8860379290741807,2.885374643324454,2.8848432735960308,4.84,5.845182990516185,5.866678660139604,5.874220882896251,5.878082575869946,5.8804136531232425,5.8819876485750475,5.883107914477492,5.88396207092582,5.884625356675547,5.88515672640397,third
+276,2.24,97,3.136145409218623e+17,2.77,1.0188473201992472,78.5,Linear,Acid,1,0.13737470736955562,0.08417700647079732,9.69,3.4644690081224874,2.516344508144736,2.2338549426578957,2.135382634917656,2.0990063797938787,2.0863601975951895,2.0806960402688484,2.0794460213147663,2.078394361059943,2.0781467283387998,1.56,1.56,1.56,1.56,1.56,1.56,1.56,1.56,1.56,1.56,1.56,3.24,6.352765495938755,6.8268277459276305,6.968072528671051,7.01730868254117,7.0354968101030595,7.041819901202404,7.0446519798655745,7.045276989342616,7.045802819470027,7.045926635830599,second
+278,9.84,92,1.3012513042028702e+17,0.68,-0.3856624808119846,167.1,Linear,Acid,0,0.6721297276662171,0.43376196841777914,2.11,0.5659732602768387,0.35957614179152014,0.2684351830966284,0.21594410869839462,0.18139405897730027,0.15677674279681672,0.13813929030633662,0.12373506216068081,0.1121370671512111,0.10251198803516218,1.78,1.0079866301384193,0.90478807089576,0.8592175915483141,0.8329720543491972,0.8156970294886501,0.8033883713984084,0.7940696451531682,0.7868675310803404,0.7810685335756055,0.776255994017581,1.55,2.3220133698615806,2.42521192910424,2.470782408451686,2.4970279456508027,2.51430297051135,2.526611628601592,2.535930354846832,2.54313246891966,2.5489314664243947,2.5537440059824195,third
+278,5.89,99,2.5583924001594003e+17,3.17,1.1537315878891892,102.1,Ring,None,0,0.06393679462585287,0.04847980397479295,2.8,1.9849650206035405,1.603254540512324,1.3716012052302333,1.2133804077496515,1.0963246425183986,1.0043451084863027,0.9307641878905871,0.870080777761816,0.8183258606704266,0.7737761547320942,1.69,1.2824825103017703,1.0916272702561622,0.9758006026151167,0.8966902038748258,0.8381623212591993,0.7921725542431514,0.7553820939452935,0.725040388880908,0.6991629303352134,0.6768880773660471,3.39,3.79751748969823,3.9883727297438383,4.104199397384884,4.183309796125174,4.241837678740801,4.287827445756849,4.324617906054707,4.354959611119092,4.3808370696647865,4.403111922633953,third
+271,11.45,91,4.5195061608383706e+17,2.61,0.959350221334602,155.1,Linear,Acid,0,1.3014045446554003,0.993976556909545,1.09,0.14169535070386263,0.07720728285905945,0.05316199445396847,0.04053226142305171,0.032784517489776566,0.027517758097740107,0.023735973285897674,0.020841149321780345,0.018585931408680225,0.016773364095483082,3.34,2.8658476753519313,2.83360364142953,2.8215809972269845,2.815266130711526,2.8113922587448883,2.8087588790488702,2.806867986642949,2.8054205746608902,2.8042929657043403,2.8033866820477416,3.39,3.8641523246480687,3.89639635857047,3.9084190027730155,3.914733869288474,3.9186077412551117,3.9212411209511298,3.923132013357051,3.9245794253391098,3.9257070342956597,3.9266133179522584,third
+276,3.73,99,3.4636420327745165e+17,3.5,1.252762968495368,131.9,Unknown,None,1,0.06346262561184392,0.03341974880236754,2.93,2.817733359110814,2.7138395059180516,2.6176858854564453,2.5286868875246187,2.4463290793209964,2.3701281556078557,2.2996268060206844,2.2343947150681807,2.1740285621322526,2.1181520214680187,0.62,0.62,0.62,0.62,0.62,0.62,0.62,0.62,0.62,0.62,0.62,1.2,1.3122666408891865,1.4161604940819488,1.5123141145435552,1.6013131124753817,1.683670920679004,1.7598718443921448,1.8303731939793162,1.89560528493182,1.9559714378677482,2.011847978531982,first
+280,1.24,96,2.8558930511964147e+17,4.9,1.589235205116581,179.0,Linear,Acid,1,0.35162171446358514,0.21285977056149902,2.32,0.5824598497273711,0.5420751294294572,0.5396848329039089,0.5395247893828826,0.5392868326664395,0.5390463023425897,0.5394560458131773,0.5401049387523748,0.539700868041183,0.5395216014305905,4.99,4.121229924863686,4.101037564714728,4.0998424164519545,4.099762394691441,4.099643416333219,4.099523151171295,4.099728022906588,4.100052469376187,4.099850434020591,4.099760800715295,1.08,1.9487700751363146,1.9689624352852717,1.9701575835480456,1.9702376053085588,1.9703565836667805,1.9704768488287052,1.9702719770934114,1.9699475306238128,1.9701495659794084,1.9702391992847048,third
+280,2.52,91,3.086439929473411e+17,3.1,1.1314021114911006,137.6,Linear,Enzyme,0,3.2552675844453685,2.5194220628538377,8.45,6.789999885581594,6.789999572567196,6.790000906391485,6.789999441714351,6.789999919481399,6.790000863888269,6.789999781113665,6.790000239241581,6.790000166411912,6.790000187529474,1.66,-1.1441840444328577e-07,-4.2743280222154455e-07,9.063914870122978e-07,-5.582856464564538e-07,-8.051859880751879e-08,8.638882713571561e-07,-2.1888633267740052e-07,2.392415819919566e-07,1.6641191197209373e-07,1.8752947313304853e-07,2.54,4.200000114418406,4.200000427432803,4.199999093608515,4.200000558285648,4.2000000805186,4.19999913611173,4.200000218886334,4.199999760758418,4.1999998335880875,4.199999812470526,second
+270,12.82,95,1.9322052997248608e+17,2.74,1.007957920399979,152.3,Branched,Acid,1,0.08063705551412163,0.05752088625882005,7.17,6.833371346960564,6.635701688992198,6.516791091225989,6.443641456988254,6.398554455827755,6.370347279281009,6.352752239524568,6.341765637635716,6.334804626055072,6.3304773328245805,1.0,0.6633713469605642,0.4657016889921978,0.3467910912259894,0.27364145698825426,0.2285544558277561,0.20034727928100904,0.18275223952456818,0.17176563763571628,0.1648046260550724,0.16047733282458118,0.51,0.8466286530394358,1.0442983110078021,1.1632089087740107,1.2363585430117459,1.2814455441722439,1.309652720718991,1.3272477604754318,1.3382343623642838,1.3451953739449276,1.3495226671754188,second
+279,6.83,96,1.1203733643843658e+17,4.89,1.5871923034867805,155.6,Linear,Enzyme,0,0.11898827559313632,0.08598603998055808,9.4,9.010053221312026,8.84996119618529,8.781872092294542,8.752536408322491,8.739814012170818,8.73427874390241,8.731866239697142,8.73081351451806,8.730354212271923,8.730154723067047,0.67,0.28005322131202454,0.11996119618528936,0.0518720922945407,0.022536408322491208,0.009814012170816878,0.004278743902408374,0.001866239697141013,0.0008135145180574626,0.0003542122719205621,0.0001547230670456086,0.94,1.3299467786879755,1.4900388038147105,1.5581279077054593,1.5874635916775088,1.600185987829183,1.6057212560975915,1.608133760302859,1.6091864854819424,1.6096457877280792,1.609845276932954,second
+279,4.75,99,1.5051323526713677e+17,1.14,0.131028262406404,56.2,Unknown,None,0,0.04385640258027351,0.026254664338564975,5.48,5.444914877935782,5.409829755871563,5.374744633807344,5.339659511743125,5.304574389678907,5.269489267614688,5.234404145550469,5.19931902348625,5.1642339014220315,5.129148779357813,4.02,4.02,4.02,4.02,4.02,4.02,4.02,4.02,4.02,4.02,4.02,0.02,0.055085122064218825,0.0901702441284376,0.12525536619265643,0.16034048825687525,0.19542561032109407,0.2305107323853129,0.2655958544495317,0.30068097651375053,0.3357660985779693,0.3708512206421881,zero
+280,2.08,100,2.888744629046125e+17,2.9,1.0647107369924282,142.6,Unknown,Base,0,0.06379796185244092,0.03724593115425977,1.79,1.4348062379046516,1.1683419395835624,0.9622590238002009,0.8008000129650075,0.6721934536941812,0.5668934214270844,0.4800445445414515,0.40833462280821514,0.34869906732321854,0.2985507656710658,4.52,4.164806237904651,3.898341939583563,3.692259023800201,3.530800012965008,3.4021934536941814,3.2968934214270846,3.210044544541452,3.1383346228082156,3.078699067323219,3.028550765671066,2.18,2.5351937620953486,2.8016580604164374,3.0077409761997993,3.1691999870349923,3.297806546305819,3.4031065785729155,3.4899554554585484,3.5616653771917846,3.6213009326767813,3.671449234328934,second
+279,9.74,92,4.1835110728251437e+17,4.87,1.5830939370944985,33.5,Unknown,Enzyme,0,2.492258542458397,1.4626967943743612,7.95,2.310019585528561,2.3100001164619997,2.309999693274387,2.3099987762882512,2.3100006591830406,2.310002913091944,2.309999994610942,2.3099987102997996,2.3099997188809045,2.310000771118238,2.82,9.792764279945472e-06,5.823099939232897e-08,-1.53362806853336e-07,-6.118558750464393e-07,3.295915196845549e-07,1.4565459714225887e-06,-2.694529990558707e-09,-6.448501009341856e-07,-1.4055954851308342e-07,3.855591186287857e-07,1.51,4.32999020723572,4.329999941769,4.330000153362805,4.330000611855874,4.329999670408478,4.3299985434540265,4.330000002694527,4.330000644850098,4.330000140559545,4.329999614440878,third
+274,13.48,98,1.5080736983436362e+17,1.19,0.17395330712343798,167.6,Branched,Enzyme,0,0.031281338315991766,0.01977427433841841,8.39,5.912312288677484,4.564036369034169,3.7182082169290025,3.1338720629846764,2.7120509626081666,2.3884978443677225,2.1329849459922765,1.9285069906370098,1.7604228002486861,1.6180151900238058,1.89,1.89,1.89,1.89,1.89,1.89,1.89,1.89,1.89,1.89,1.89,1.12,2.3588438556612585,3.032981815482916,3.4558958915354987,3.7480639685076618,3.958974518695917,4.120751077816139,4.248507527003862,4.350746504681496,4.434788599875657,4.505992404988098,second
+273,6.16,100,4.362063578146828e+17,4.02,1.3912819026309295,199.2,Ring,Acid,0,0.03202087346139795,0.02503215314365466,2.18,1.9609699322805747,1.7819609234713425,1.6324402670866192,1.505659379600457,1.397945052237497,1.3058307558778475,1.2259796008995263,1.155184337178461,1.0908612124356896,1.033121643838475,2.98,2.98,2.98,2.98,2.98,2.98,2.98,2.98,2.98,2.98,2.98,2.64,2.749515033859713,2.839019538264329,2.9137798664566907,2.977170310199772,3.031027473881252,3.0770846220610766,3.1170101995502373,3.1524078314107697,3.1845693937821555,3.213439178080763,second
+276,12.26,93,2.5385441952572992e+17,4.12,1.415853163361435,112.8,Ring,Enzyme,0,0.6355451779550896,0.5594695904275142,7.38,4.633666926547985,4.459578879756605,4.44204360117254,4.440213968898827,4.4400225047736885,4.440002284313854,4.44000018268462,4.43999979341014,4.4400002754126175,4.440000070523831,2.94,0.193666926547985,0.019578879756605168,0.002043601172540031,0.0002139688988264329,2.2504773687584465e-05,2.284313852900973e-06,1.8268461824187986e-07,-2.0658986211006878e-07,2.754126170865934e-07,7.052382973553715e-08,1.24,3.986333073452015,4.160421120243395,4.17795639882746,4.179786031101173,4.179977495226312,4.179997715686146,4.17999981731538,4.1800002065898605,4.179999724587383,4.179999929476169,second
+271,2.33,94,2.7391852933343062e+17,0.65,-0.4307829160924542,87.4,Branched,None,0,0.20829489001562917,0.14683397014725486,9.08,8.45313713684926,8.308047488240403,8.27208710534941,8.263052861359803,8.260772597843182,8.260194971678679,8.26004920054919,8.260012359245271,8.260003119316494,8.260001017528824,0.82,0.1931371368492603,0.04804748824040206,0.012087105349409174,0.00305286135980123,0.0007725978431804115,0.00019497167867733937,4.9200549187140964e-05,1.2359245268252038e-05,3.1193164907390204e-06,1.0175288205213523e-06,2.71,3.3368628631507398,3.481952511759598,3.517912894650591,3.5269471386401987,3.52922740215682,3.529805028321323,3.5299507994508135,3.529987640754732,3.52999688068351,3.52999898247118,second
+273,2.25,96,1.6863351703204643e+17,1.78,0.5766133643039938,80.8,Ring,Base,0,0.07211995276263941,0.04756291794670511,8.44,2.6358382916902903,1.8748278024337781,1.5210890841158873,1.3049935860943587,1.157425258125068,1.0466972214951378,0.9610830525106239,0.8922245028751137,0.8345769676457784,0.785785820755164,4.46,1.5579191458451453,1.1774139012168892,1.000544542057944,0.8924967930471795,0.8187126290625342,0.7633486107475691,0.7205415262553121,0.686112251437557,0.6572884838228894,0.6328929103775823,1.64,4.542080854154855,4.9225860987831105,5.099455457942056,5.20750320695282,5.2812873709374655,5.336651389252431,5.3794584737446876,5.413887748562443,5.44271151617711,5.467107089622417,third
+273,2.63,98,4.266104557951999e+17,3.74,1.3190856114264407,142.8,Ring,None,0,0.07558887032143409,0.06008203845447348,2.47,1.9015063035925492,1.5480090114370082,1.3035251261513858,1.1276192298548142,0.9924545991826337,0.8859334175837339,0.8008223246135072,0.7308350344377019,0.6715191017639154,0.6210788936833551,4.16,4.16,4.16,4.16,4.16,4.16,4.16,4.16,4.16,4.16,4.16,4.92,5.204246848203725,5.380995494281496,5.503237436924308,5.5911903850725935,5.658772700408684,5.712033291208133,5.754588837693247,5.7895824827811495,5.819240449118043,5.844460553158323,second
+278,12.62,93,3.603003037816259e+17,3.87,1.3532545070416904,114.5,Ring,Base,0,1.2074117003522542,1.021479667918093,8.78,7.890394739265536,7.890000113126895,7.890000352873412,7.889999936208477,7.889998920684717,7.889999798631936,7.890000789208983,7.890000031070259,7.889999019286042,7.89000037365467,0.89,0.00039473926553559933,1.1312689562681441e-07,3.52873412613347e-07,-6.379152267660598e-08,-1.0793152821871743e-06,-2.0136806347492774e-07,7.892089842909967e-07,3.107025981763435e-08,-9.80713956745024e-07,3.7365467233407384e-07,0.34,1.2296052607344645,1.2299998868731046,1.2299996471265875,1.2300000637915227,1.230001079315282,1.2300002013680635,1.2299992107910156,1.22999996892974,1.2300009807139565,1.2299996263453274,second
+278,7.16,91,1.2671461509476754e+17,3.63,1.2892326482767593,195.0,Unknown,None,0,1.00883423083363,0.5794533476985422,1.17,0.3629326153330956,-0.4441347693338086,-1.2512021540007128,-2.058269538667617,-2.865336923334521,-3.6724043080014273,-4.479471692668331,-5.286539077335236,-6.093606462002141,-6.900673846669048,2.59,2.59,2.59,2.59,2.59,2.59,2.59,2.59,2.59,2.59,2.59,4.33,5.137067384666905,5.944134769333808,6.751202154000713,7.558269538667616,8.365336923334521,9.172404308001427,9.97947169266833,10.786539077335236,11.59360646200214,12.400673846669047,zero
+271,13.66,99,4.234451242682805e+17,2.32,0.8415671856782185,198.5,Unknown,Enzyme,0,0.035001027041026096,0.019319065095512556,1.44,1.240002214955207,1.1058498075620564,1.0069096155687773,0.9312152599941882,0.870666556758701,0.8199422409599121,0.7771687957498585,0.7406419493518367,0.7089300379640612,0.6808882102589031,1.29,1.29,1.29,1.29,1.29,1.29,1.29,1.29,1.29,1.29,1.29,0.44,0.5066659283482644,0.5513833974793146,0.5843634614770743,0.6095949133352707,0.6297778144137665,0.6466859196800294,0.6609437347500473,0.6731193502160546,0.683689987345313,0.6930372632470324,third
+271,13.22,98,4.6572978506458624e+17,3.93,1.3686394258811698,106.2,Ring,Enzyme,0,0.060002918629585934,0.04301449059747426,8.73,1.8269477106049254,1.3052739844142744,1.0702563198042883,0.9281531002335567,0.8315347055575059,0.7591401766763138,0.7034459626268619,0.658593960403614,0.6209521058954578,0.5891032256635582,2.81,2.81,2.81,2.81,2.81,2.81,2.81,2.81,2.81,2.81,2.81,4.1,6.401017429798358,6.574908671861908,6.653247893398571,6.700615633255481,6.732821764814164,6.756953274441228,6.775518012457712,6.790468679865461,6.803015964701514,6.813632258112147,third
+276,5.23,95,4.083846790134264e+17,1.9,0.6418538861723947,112.7,Unknown,Enzyme,0,0.42766684728512966,0.373117148453174,7.4,0.6961189512468702,0.49367678429021256,0.4032205495165032,0.349237252170025,0.31251307121286065,0.28539438517573223,0.26409209229775454,0.2470938977767082,0.233109028755894,0.2211453194150614,0.88,0.88,0.88,0.88,0.88,0.88,0.88,0.88,0.88,0.88,0.88,1.98,4.214627016251042,4.282107738569929,4.312259816827832,4.330254249276658,4.342495642929046,4.351535204941422,4.358635969234082,4.364302034074431,4.368963657081369,4.372951560194979,third
+270,9.35,98,3.246470573473319e+17,3.7,1.308332819650179,110.5,Unknown,Enzyme,1,0.035603034240904476,0.01852531167848025,3.47,2.973824721712677,2.626973306948046,2.3727758961483576,2.183395903739385,2.0395244741666696,1.9252783772472244,1.8343594690737184,1.7623052662071184,1.7047424175442427,1.6576953808968298,3.09,3.09,3.09,3.09,3.09,3.09,3.09,3.09,3.09,3.09,3.09,2.93,3.1780876391436617,3.351513346525977,3.478612051925821,3.5733020481303073,3.6452377629166652,3.702360811376388,3.7478202654631407,3.783847366896441,3.812628791227879,3.836152309551585,second
+279,10.11,90,1.862588831914822e+17,2.27,0.8197798314933114,122.3,Ring,Enzyme,1,2.627995109203742,2.0482067361730145,9.95,1.4849700208590975,1.4851464652980464,1.4851434131534222,1.484981857927452,1.4850740747210927,1.4851182624105566,1.4850749079269459,1.4851624422937433,1.4852394221793659,1.4864299337427174,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,1.39,4.211676659713634,4.2116178449006485,4.211618862282188,4.211672714024179,4.211641975092965,4.211627245863142,4.211641697357679,4.211612519235413,4.211586859273537,4.211190022085752,third
+278,9.37,98,3.3288759258234496e+17,4.23,1.4422019930581866,40.9,Branched,Base,0,0.1282278872266529,0.08440407206853785,3.8,3.4295140024028687,3.0951502436155853,2.793300116329612,2.5206932180498782,2.274695473152567,2.0528418124735244,1.8528111822957205,1.6724265443492492,1.5096548758113273,1.362607169306293,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,3.62,3.62,3.62,3.62,3.62,3.62,3.62,3.62,3.62,3.62,3.62,first
+279,6.49,99,2.3934377419177734e+17,3.31,1.1969481893889715,96.6,Unknown,None,0,0.06973976007762114,0.043139122436362774,7.27,6.831700037605218,6.548173858806342,6.358250739161461,6.229181082022526,6.1388544291675675,6.075804807386325,6.031260171898772,5.9994859066959885,5.97699067384762,5.960876372669993,1.35,0.9117000376052191,0.6281738588063432,0.4382507391614615,0.309181082022527,0.21885442916756837,0.15580480738632604,0.11126017189877313,0.07948590669599012,0.056990673847621326,0.0408763726699948,3.42,3.8582999623947813,4.141826141193658,4.331749260838539,4.460818917977473,4.551145570832432,4.614195192613675,4.658739828101227,4.690514093304011,4.713009326152379,4.729123627330006,second
+272,4.86,97,2.6836952312362986e+17,0.52,-0.6539264674066639,167.7,Branched,Acid,0,0.06313439142974114,0.05307927761314855,6.82,6.769492486856207,6.7189849737124145,6.668477460568621,6.617969947424829,6.567462434281036,6.516954921137243,6.46644740799345,6.415939894849657,6.365432381705864,6.314924868562071,0.12,0.12,0.12,0.12,0.12,0.12,0.12,0.12,0.12,0.12,0.12,3.91,3.960507513143793,4.011015026287586,4.061522539431379,4.112030052575172,4.1625375657189645,4.213045078862757,4.26355259200655,4.314060105150343,4.364567618294137,4.41507513143793,zero
+274,4.25,97,1.957452384111154e+17,1.34,0.29266961396282004,91.6,Unknown,Acid,0,0.06297935719193481,0.053751143899700364,9.78,1.7913766331731011,1.2782722625889194,1.046097731089973,0.9073371766352732,0.8121267054831393,0.7422392720229546,0.6870245722677919,0.642773206921385,0.6064613592112702,0.5756031018324486,0.74,0.74,0.74,0.74,0.74,0.74,0.74,0.74,0.74,0.74,0.74,1.69,4.352874455608966,4.523909245803693,4.601300756303342,4.647554274454908,4.679291098172286,4.702586909325682,4.720991809244069,4.735742264359538,4.747846213596243,4.7581322993891835,third
+271,6.03,99,1.3613176804924888e+17,4.91,1.5912739418064292,132.9,Branched,None,0,0.011252347521696028,0.0074677610306949594,8.91,6.0310310842448684,4.9047802226079265,4.268790549700778,3.844275869861881,3.5378215610156545,3.3029560454660065,3.113947538925704,2.9596048784785833,2.8308108865167974,2.720291809516128,3.87,2.4305155421224347,1.8673901113039635,1.5493952748503896,1.3371379349309405,1.1839107805078273,1.0664780227330033,0.9719737694628521,0.8948024392392918,0.8304054432583987,0.7751459047580642,4.82,6.259484457877566,6.822609888696037,7.140604725149611,7.35286206506906,7.506089219492173,7.623521977266997,7.7180262305371485,7.795197560760709,7.859594556741602,7.914854095241936,third
+272,8.18,91,4.296138536973373e+17,3.74,1.3190856114264407,165.1,Branched,None,0,1.4351173106698196,0.7218765766319094,6.26,4.1800011363776575,4.180002410108744,4.180001220254336,4.180003271147038,4.180000654921272,4.180002359173861,4.180002818052694,4.180000190905621,4.17999827116731,4.180000652957811,1.04,5.681888297680744e-07,1.2050543729497998e-06,6.101271690609812e-07,1.635573519528453e-06,3.274606366381337e-07,1.1795869311741468e-06,1.4090263476458626e-06,9.545281087745562e-08,-8.644163443613531e-07,3.264789057156303e-07,1.96,2.999999431811171,2.9999987949456277,2.9999993898728317,2.9999983644264807,2.999999672539364,2.999998820413069,2.999998590973653,2.9999999045471895,3.0000008644163447,2.9999996735210943,third
+272,13.25,91,2.8148513195297446e+17,2.86,1.0508216248317612,114.2,Unknown,Enzyme,1,0.9402959939147693,0.6125596574305442,9.74,6.4214699459761295,5.461875977767962,5.185390858996419,5.106189984360762,5.08275467525332,5.075277628904065,5.0745066113672666,5.072558138293855,5.073039549950974,5.0738707818187425,2.14,2.14,2.14,2.14,2.14,2.14,2.14,2.14,2.14,2.14,2.14,3.12,6.438530054023871,7.398124022232039,7.6746091410035815,7.753810015639238,7.77724532474668,7.784722371095936,7.785493388632734,7.787441861706145,7.786960450049026,7.786129218181258,first
+270,12.07,92,9.842662483371134e+16,4.14,1.4206957878372228,102.5,Ring,Base,1,0.15631470512406473,0.09361874135053765,5.88,4.106256834146223,3.427232671527266,3.1125638234048756,2.953020396581169,2.8697138571142076,2.8238125707060004,2.7995714559570706,2.7854991804962075,2.7781363819516987,2.7741579092814184,4.47,2.696256834146223,2.0172326715272657,1.7025638234048757,1.543020396581169,1.4597138571142074,1.413812570706,1.3895714559570704,1.3754991804962073,1.368136381951699,1.3641579092814182,3.17,4.943743165853776,5.622767328472733,5.937436176595123,6.09697960341883,6.180286142885792,6.226187429293999,6.250428544042928,6.264500819503792,6.2718636180483,6.275842090718581,second
+277,6.78,95,1.860476518537155e+17,2.52,0.9242589015233319,130.8,Unknown,Enzyme,0,0.22624029283654143,0.18998131477952684,2.48,1.314086660165013,0.8911947440089331,0.674863963246578,0.5422851962156067,0.45400596828794704,0.38989081976339424,0.3417493473172346,0.30452546998830865,0.27435657550352227,0.24957145312487794,4.64,4.64,4.64,4.64,4.64,4.64,4.64,4.64,4.64,4.64,4.64,4.97,5.552956669917493,5.7644026279955325,5.87256801837671,5.938857401892196,5.982997015856026,6.015054590118303,6.039125326341383,6.057737265005845,6.072821712248238,6.08521427343756,second
+275,6.81,95,3.901606564687562e+17,0.97,-0.030459207484708574,108.1,Unknown,Acid,0,0.3514778255509014,0.30508462398043257,8.36,5.352175499711787,4.887823173045049,4.778157000239167,4.750029553262448,4.742641190876554,4.740697766647945,4.740184681938503,4.740048875614204,4.740013090565032,4.740003514792146,3.62,0.6121754997117876,0.14782317304504985,0.03815700023916813,0.010029553262449043,0.002641190876555516,0.0006977666479462108,0.00018468193850450777,4.887561420561744e-05,1.3090565033160917e-05,3.514792147666998e-06,1.22,4.227824500288213,4.69217682695495,4.801842999760832,4.829970446737551,4.837358809123446,4.839302233352054,4.839815318061496,4.839951124385795,4.839986909434967,4.839996485207853,second
+277,9.88,92,3.599640896555238e+17,3.89,1.358409157630355,42.3,Branched,Base,1,1.6104360857106172,1.073834520117823,5.07,1.2453605233611036,1.244394718290715,1.2459481838692488,1.2451564763186886,1.2444585013523417,1.2463659160810805,1.2446941347715867,1.2447859334818396,1.2463764852345072,1.2453485093949253,0.16,0.16,0.16,0.16,0.16,0.16,0.16,0.16,0.16,0.16,0.16,1.62,2.894879825546299,2.8952017605697615,2.8946839387102505,2.8949478412271032,2.8951804995492187,2.89454469463964,2.8951019550761377,2.895071355506053,2.894541171588497,2.8948838302016906,third
+272,9.02,99,3.1989071886918637e+17,4.29,1.4562867329399256,102.9,Ring,Acid,1,0.031077232493628947,0.024186987921012478,8.06,4.86556531916964,4.0719360044957655,3.7023376095122513,3.4947553287519013,3.3656125606767957,3.2825661066795027,3.226197220109178,3.187869336828167,3.1614488144463575,3.1426819276702003,2.73,1.1327826595848196,0.7359680022478825,0.5511688047561254,0.4473776643759504,0.3828062803383975,0.341283053339751,0.3130986100545886,0.2939346684140832,0.2807244072231784,0.27134096383509976,0.58,2.1772173404151802,2.5740319977521176,2.7588311952438747,2.8626223356240494,2.9271937196616027,2.968716946660249,2.9969013899454118,3.016065331585917,3.029275592776822,3.0386590361649004,third
+273,9.15,99,2.8068505553663056e+17,3.7,1.308332819650179,95.2,Branched,None,0,0.032011281573347226,0.020644423935643315,3.65,3.075019154812126,2.6568960995317794,2.3374851464449202,2.088145411245783,1.8893444282823944,1.724133330313076,1.5841111555101268,1.4652908287723825,1.3632131609577542,1.2743602661050595,0.79,0.79,0.79,0.79,0.79,0.79,0.79,0.79,0.79,0.79,0.79,3.24,3.5274904225939374,3.73655195023411,3.89625742677754,4.020927294377108,4.1203277858588025,4.202933334843461,4.272944422244937,4.332354585613809,4.383393419521123,4.42781986694747,second
+277,4.56,100,2.649875320302256e+17,2.15,0.7654678421395714,50.8,Linear,Acid,0,0.03675137650576493,0.03281015976317414,2.78,2.699454797345861,2.6212432412160673,2.5452977143021047,2.471552411999522,2.3999437043866285,2.3304098420719597,2.2628907339719437,2.1973279473108964,2.1336647076210262,2.0718458987424304,2.08,2.08,2.08,2.08,2.08,2.08,2.08,2.08,2.08,2.08,2.08,4.92,5.000545202654139,5.078756758783932,5.154702285697895,5.228447588000478,5.300056295613372,5.36959015792804,5.437109266028056,5.502672052689103,5.566335292378973,5.628154101257569,first
+280,4.79,97,2.555134200158236e+17,4.57,1.5195132049061133,127.0,Branched,Enzyme,0,0.204733277493225,0.13488383835246515,4.0,3.395687446104981,2.882683130964926,2.446417189669246,2.075432581561258,1.7612048216136282,1.4956526079285637,1.2711210614111925,1.0803817257695636,0.9172903692042707,0.7787096669998543,3.37,3.37,3.37,3.37,3.37,3.37,3.37,3.37,3.37,3.37,3.37,2.02,2.02,2.02,2.02,2.02,2.02,2.02,2.02,2.02,2.02,2.02,first
+272,6.49,94,5.276066239814824e+16,3.96,1.3762440252663892,77.3,Ring,None,0,0.04677148985904891,0.027596104406267866,5.17,3.470076368316195,2.882834438115263,2.5679637316518993,2.36599717423744,2.2244325979599524,2.1186605307117716,2.037439983496354,1.9724389104532611,1.919319251212574,1.875331251897042,1.8,0.9500381841580978,0.656417219057632,0.49898186582594994,0.39799858711872044,0.32721629897997645,0.2743302653558863,0.23371999174817742,0.20121945522663087,0.1746596256062874,0.1526656259485213,3.53,4.379961815841901,4.673582780942367,4.83101813417405,4.932001412881279,5.002783701020023,5.0556697346441135,5.0962800082518225,5.1287805447733685,5.155340374393712,5.177334374051478,third
+272,10.41,92,1.7064387789229808e+17,1.38,0.3220834991691132,31.1,Unknown,Enzyme,1,0.3663142249728319,0.276962581560571,8.68,1.3575160109882958,1.3509744175434795,1.3520158273958227,1.351140856469465,1.3518932303460636,1.3510569450044116,1.3517093076790967,1.350783564026287,1.3521045997746581,1.352138866024171,2.23,2.23,2.23,2.23,2.23,2.23,2.23,2.23,2.23,2.23,2.23,0.82,3.260827996337235,3.263008527485507,3.2626613908680593,3.262953047843512,3.2627022565513126,3.262981018331863,3.262763564106968,3.2630721453245717,3.2626318000751144,3.2626203779919436,third
+277,8.62,91,4.154715917745597e+17,4.75,1.55814461804655,175.6,Ring,Acid,1,2.869492990947822,2.1934438728970402,9.4,5.233464596000455,5.160651042831599,5.160755151343056,5.16445392485039,5.162499651728523,5.157908335347553,5.157117899894165,5.158978727954446,5.16572682369097,5.16247631094642,3.14,3.14,3.14,3.14,3.14,3.14,3.14,3.14,3.14,3.14,3.14,2.51,6.676535403999545,6.749348957168401,6.749244848656944,6.74554607514961,6.747500348271477,6.752091664652447,6.752882100105835,6.751021272045554,6.74427317630903,6.747523689053581,first
+270,2.73,95,2.394918139118218e+17,0.55,-0.5978370007556204,53.4,Branched,Acid,0,0.09994752988378207,0.08977743087569466,8.81,8.13299618943694,7.50801709423503,6.930945678257851,6.398126975694726,5.9063092894729445,5.452412723499453,5.0335291789057255,4.6469223540477635,4.290027744506096,3.9604526430857754,0.68,0.68,0.68,0.68,0.68,0.68,0.68,0.68,0.68,0.68,0.68,3.62,4.297003810563062,4.921982905764971,5.49905432174215,6.031873024305275,6.523690710527057,6.977587276500548,7.396470821094276,7.783077645952238,8.139972255493905,8.469547356914227,first
+280,10.95,95,4.7204708455013856e+17,1.58,0.4574248470388755,180.6,Branched,Base,1,0.8930547619810851,0.6008646667864379,3.79,1.6191726738123593,1.6187654634282238,1.6172192420856482,1.618065763229045,1.6190041311795769,1.6205899091281872,1.6201892901822588,1.6193878690091723,1.6187670962057277,1.6192791886587614,2.63,1.5445863369061794,1.544382731714112,1.5436096210428243,1.5440328816145226,1.544502065589789,1.5452949545640942,1.5450946450911298,1.5446939345045867,1.5443835481028643,1.5446395943293811,4.93,6.01541366309382,6.015617268285888,6.016390378957176,6.015967118385479,6.015497934410213,6.014705045435909,6.014905354908872,6.015306065495415,6.015616451897137,6.015360405670621,third
+276,8.46,91,4.894831111472833e+17,1.8,0.5877866649021191,115.6,Unknown,Enzyme,1,2.929712242188012,2.2762711998057488,2.71,1.521815463064103,1.5232703738726825,1.5246572213962768,1.5241018618142252,1.5226431371374114,1.5216282862864126,1.521465719998736,1.5221040255782676,1.5233015843540316,1.5236731877932006,3.47,3.47,3.47,3.47,3.47,3.47,3.47,3.47,3.47,3.47,3.47,2.39,2.984092268467949,2.98336481306366,2.982671389301862,2.9829490690928884,2.9836784314312954,2.984185856856795,2.9842671400006333,2.9839479872108674,2.9833492078229855,2.9831634061034014,second
+275,12.1,99,1.354488888027366e+17,0.52,-0.6539264674066639,52.6,Branched,None,0,0.021214162015795308,0.0107034983917791,3.05,2.1954702535765347,1.8007354743081279,1.5614883705737177,1.398052357112108,1.278270840156744,1.1832907749779917,1.1071005904279845,1.0445397483082364,0.9914001484655488,0.9452269270870934,2.51,2.51,2.51,2.51,2.51,2.51,2.51,2.51,2.51,2.51,2.51,4.81,5.0948432488078215,5.226421508563957,5.306170543142094,5.360649214295964,5.400576386614418,5.432236408340669,5.457633136524005,5.478486750563921,5.496199950511484,5.511591024304303,third
+277,4.65,91,4.388822734445075e+17,2.21,0.7929925155296614,177.0,Linear,Acid,1,3.031181030022409,2.5820743242609336,6.19,1.0168621230767898,1.01537669426212,1.0152573442036252,1.0167852066796346,1.015495429351158,1.0152009565168578,1.0167140175084,1.0157963381764041,1.0149253314956375,1.0160276347211423,4.93,2.3434310615383938,2.34268834713106,2.342628672101813,2.343392603339817,2.342747714675578,2.3426004782584284,2.3433570087541997,2.342898169088202,2.342462665747819,2.3430138173605712,0.25,2.836568938461605,2.837311652868939,2.837371327898186,2.836607396660182,2.837252285324421,2.8373995217415704,2.836642991245799,2.837101830911797,2.83753733425218,2.8369861826394276,third
+280,7.15,90,1.7249167781623626e+17,2.03,0.7080357930536959,100.8,Branched,Base,0,2.79547771674126,2.0489445533365878,1.5,-0.7363821733930086,-2.9727643467860165,-5.209146520179026,-7.445528693572034,-9.68191086696504,-11.918293040358051,-14.154675213751059,-16.391057387144066,-18.627439560537077,-20.863821733930084,1.64,1.64,1.64,1.64,1.64,1.64,1.64,1.64,1.64,1.64,1.64,0.15,2.3863821733930086,4.622764346786017,6.859146520179026,9.095528693572033,11.33191086696504,13.568293040358052,15.804675213751057,18.041057387144065,20.27743956053708,22.513821733930087,zero
+271,11.1,95,2.1419074474512954e+17,3.18,1.1568811967920856,129.2,Linear,None,0,0.10449684896842294,0.06301919049016266,9.17,4.842379936625865,4.613321769367903,4.577454440599206,4.571300516254365,4.570227772678147,4.5700398926418355,4.570006947940205,4.570001455359838,4.570000464067682,4.570000158693009,2.3,0.136189968312933,0.021660884683951994,0.0037272202996038064,0.0006502581271834095,0.00011388633907420396,1.9946320918397557e-05,3.4739701035054404e-06,7.276799200174723e-07,2.320338420182345e-07,7.934650571882504e-08,2.89,5.053810031687067,5.168339115316048,5.186272779700396,5.189349741872816,5.189886113660925,5.189980053679081,5.189996526029896,5.18999927232008,5.189999767966158,5.189999920653493,third
+274,6.64,99,2.7277996328395546e+17,1.31,0.2700271372130602,131.0,Unknown,Base,0,0.03647799577170072,0.020665114703437345,4.35,4.096283828369891,3.8836189970728894,3.702654168057054,3.5472001208380504,3.4133583612734215,3.2975129178620666,3.1963106189717734,3.1066610928392198,3.025934486722784,2.953600615570822,2.19,1.9362838283698909,1.7236189970728892,1.5426541680570536,1.3872001208380502,1.2533583612734214,1.1375129178620662,1.0363106189717732,0.9466610928392193,0.8659344867227836,0.7936006155708218,4.97,5.223716171630109,5.43638100292711,5.617345831942945,5.772799879161949,5.906641638726578,6.022487082137933,6.123689381028226,6.21333890716078,6.294065513277216,6.366399384429178,second
+276,7.84,99,4.345839519629127e+17,3.18,1.1568811967920856,198.9,Linear,None,1,0.07962670039041342,0.05722196754862563,7.83,4.115220716996507,2.980364437633841,2.4855171978770323,2.237773874647401,2.102560538880679,2.0284433668511808,1.9848642612874203,1.9609415868006088,1.946486172229395,1.937978821635936,4.55,4.55,4.55,4.55,4.55,4.55,4.55,4.55,4.55,4.55,4.55,2.21,4.067389641501746,4.63481778118308,4.882241401061484,5.0061130626763,5.07371973055966,5.11077831657441,5.13256786935629,5.144529206599696,5.151756913885302,5.156010589182032,second
+274,4.07,95,2.9239430975352896e+17,1.6,0.47000362924573563,138.1,Branched,Base,1,0.2263416350935541,0.15200329889575456,6.49,1.8843709142565044,1.7672986520464773,1.7563775678991616,1.7553969946775076,1.7556136232040638,1.7535137600432922,1.7572365367865084,1.7559031854260374,1.7547859173512363,1.7556199430788684,3.69,1.3871854571282525,1.328649326023239,1.3231887839495808,1.3226984973387539,1.322806811602032,1.3217568800216462,1.3236182683932542,1.3229515927130187,1.322392958675618,1.3228099715394341,3.7,6.002814542871748,6.061350673976761,6.066811216050419,6.067301502661246,6.067193188397967,6.068243119978353,6.066381731606745,6.06704840728698,6.067607041324381,6.067190028460565,third
+280,13.57,96,3.0077154090634355e+17,4.3,1.4586150226995167,123.3,Unknown,Acid,0,0.37031430442060115,0.3043888915244399,8.18,6.082648022613627,4.52179945201802,3.3631960447724474,2.501327850220067,1.8589269008000366,1.3831384910627111,1.0291498714997247,0.76466142156452,0.568861259711482,0.4235892571115829,2.57,2.57,2.57,2.57,2.57,2.57,2.57,2.57,2.57,2.57,2.57,0.3,2.3973519773863723,3.9582005479819795,5.116803955227552,5.978672149779932,6.621073099199963,7.096861508937288,7.450850128500274,7.71533857843548,7.911138740288518,8.056410742888417,first
+277,11.68,90,3.2853215354073043e+17,3.66,1.297463147413275,41.6,Branched,Enzyme,1,3.5028475235811882,3.0925322487795515,4.97,4.700833357341166,4.700220492846697,4.699927335845976,4.700138267363691,4.700348719921237,4.700924584526983,4.700466986031757,4.6998976543542685,4.6999907363020315,4.700372921488288,0.82,0.5508333573411665,0.5502204928466966,0.5499273358459763,0.5501382673636929,0.5503487199212381,0.5509245845269832,0.5504669860317574,0.5498976543542681,0.5499907363020315,0.5503729214882885,2.66,2.929166642658834,2.929779507153304,2.9300726641540247,2.929861732636308,2.929651280078762,2.9290754154730174,2.929533013968243,2.9301023456457327,2.9300092636979693,2.9296270785117122,second
+273,7.34,96,3.675674902562465e+17,2.72,1.000631880307906,150.2,Ring,Base,0,0.15719858365596898,0.10863260948638795,5.91,5.211597802757042,4.595732496587303,4.052127783996919,3.571901062550657,3.148601532714072,2.776121434718802,2.4486377495953318,2.1606121991729954,1.9067912460799734,1.6822060937433005,2.05,2.05,2.05,2.05,2.05,2.05,2.05,2.05,2.05,2.05,2.05,0.16,0.16,0.16,0.16,0.16,0.16,0.16,0.16,0.16,0.16,0.16,first
+274,2.49,90,4.4194402084877696e+17,4.12,1.415853163361435,146.2,Ring,None,1,3.0717373799605734,1.7841483297045855,5.73,1.1700956302129961,1.1717743727378243,1.1718106192887963,1.1716198086806615,1.1716918470684938,1.1708266177977495,1.1706240967115298,1.1702991566914356,1.1698624940387754,1.1710674467866835,1.11,1.11,1.11,1.11,1.11,1.11,1.11,1.11,1.11,1.11,1.11,0.08,2.3599521848935026,2.359112813631089,2.3590946903556027,2.35919009565967,2.359154076465754,2.3595866911011254,2.359687951644236,2.3598504216542833,2.3600687529806135,2.3594662766066596,second
+277,2.82,100,1.3942061046614002e+17,3.97,1.3787660946990992,172.0,Branched,Acid,0,0.01933637899356053,0.015203258634445476,2.97,2.924410288436041,2.8795203823058517,2.8353195396530144,2.791797180946367,2.748942889472944,2.7067464172467344,2.6651976686223127,2.62428669917125,2.5840037156821105,2.544339076160455,1.09,1.09,1.09,1.09,1.09,1.09,1.09,1.09,1.09,1.09,1.09,4.74,4.74,4.74,4.74,4.74,4.74,4.74,4.74,4.74,4.74,4.74,first
+280,12.78,99,1.5268388250405146e+17,1.82,0.598836501088704,51.4,Branched,Enzyme,0,0.051814328221088814,0.02678341010408203,1.42,0.9672523494484484,0.7423606037748002,0.6036117234454599,0.5091787023715058,0.44167433322656374,0.3900649681411065,0.3492540783983833,0.31659090586760114,0.28974525216088753,0.2669637055578362,4.13,3.903626174724224,3.7911803018874,3.72180586172273,3.674589351185753,3.6408371666132817,3.615032484070553,3.594627039199192,3.5782954529338005,3.5648726260804438,3.553481852778918,2.54,2.766373825275776,2.8788196981125997,2.94819413827727,2.995410648814247,3.029162833386718,3.0549675159294467,3.075372960800808,3.0917045470661995,3.105127373919556,3.116518147221082,third
+278,12.11,97,4.085614101834688e+17,0.99,-0.01005033585350145,112.3,Linear,Enzyme,1,0.24257352359199116,0.1835828095250166,4.12,1.1743652547378065,1.0988121839528682,1.0907820391897753,1.0899916492500055,1.0899658212876475,1.0886689739641429,1.0911963164837213,1.0893616403235407,1.089817730722447,1.0903948501095677,4.04,4.04,4.04,4.04,4.04,4.04,4.04,4.04,4.04,4.04,4.04,0.7,1.681878248420731,1.7070626053490439,1.7097393202700748,1.7100027835833314,1.7100113929041172,1.7104436753452856,1.7096012278387593,1.7102127865588195,1.7100607564258508,1.7098683832968105,third
+278,5.27,97,2.8750770128924944e+17,1.34,0.29266961396282004,148.7,Linear,Enzyme,1,0.1707007916637272,0.15117541210625962,8.81,2.9225115339183954,2.1693626669861272,1.9742997528171669,1.915676810372794,1.8977550179619131,1.8922590791667624,1.8899667179257176,1.889794508975842,1.889540744644899,1.8893743633775846,3.32,3.32,3.32,3.32,3.32,3.32,3.32,3.32,3.32,3.32,3.32,0.57,3.5137442330408026,3.890318666506937,3.987850123591417,4.0171615948136035,4.026122491019043,4.028870460416619,4.030016641037141,4.03010274551208,4.03022962767755,4.030312818311208,second
+277,6.17,95,2.993061996488799e+17,1.56,0.44468582126144574,148.8,Ring,Base,1,0.3639665514811097,0.2787716629115568,9.52,5.8837095532813,5.596074594225926,5.562375590279151,5.55827699251079,5.557875913464036,5.557956143134263,5.556763144056455,5.558923920774108,5.557302739168543,5.558363021354579,4.89,1.2537095532813,0.9660745942259253,0.9323755902791508,0.92827699251079,0.927875913464035,0.9279561431342613,0.9267631440564541,0.9289239207741068,0.9273027391685429,0.9283630213545788,2.77,6.4062904467187,6.693925405774074,6.727624409720849,6.73172300748921,6.732124086535964,6.7320438568657375,6.733236855943545,6.731076079225892,6.732697260831457,6.731636978645421,second
+275,1.18,97,2.0314530757478588e+16,4.14,1.4206957878372228,197.1,Unknown,Enzyme,1,0.007630609717458823,0.004771472612710862,3.59,3.558488394653503,3.5281254171485004,3.4988583371962396,3.470637364790205,3.443415807134801,3.4171498115266816,3.3917976924838453,3.367319924936504,3.34367914422708,3.3208401461102075,1.93,1.8984883946535027,1.8681254171485002,1.8388583371962395,1.8106373647902048,1.7834158071348007,1.757149811526681,1.7317976924838452,1.7073199249365034,1.6836791442270793,1.6608401461102071,2.67,2.701511605346497,2.7318745828514994,2.76114166280376,2.7893626352097947,2.8165841928651987,2.842850188473318,2.8682023075161545,2.892680075063496,2.91632085577292,2.9391598538897923,second
+270,11.63,90,1.1863428157087288e+17,4.36,1.472472057360943,161.3,Linear,Base,0,0.4592346842570874,0.3073307584303791,5.0,1.0728773782443966,0.6010133395785751,0.4172814420208526,0.31961994084048145,0.2591917085370061,0.21774172080785006,0.18779360129829017,0.1652427877146873,0.14735355294184244,0.13295931939785943,0.06,0.06,0.06,0.06,0.06,0.06,0.06,0.06,0.06,0.06,0.06,3.93,5.893561310877802,6.129493330210712,6.221359278989572,6.270190029579759,6.3004041457314965,6.321129139596074,6.3361031993508545,6.347378606142656,6.3563232235290785,6.363520340301069,second
+276,1.49,92,4.07414080127778e+17,0.95,-0.05129329438755058,124.9,Linear,Base,1,1.577104644390651,1.3857218136988223,1.31,2.2164769072060024,2.3018720465019236,2.3096144973539854,2.310586668308872,2.311315509470003,2.3090982837186753,2.3112904215352663,2.3106990034774486,2.308845169638806,2.3101756204632315,0.26,0.26,0.26,0.26,0.26,0.26,0.26,0.26,0.26,0.26,0.26,3.63,2.7235230927939975,2.6381279534980764,2.6303855026460146,2.629413331691128,2.628684490529997,2.6309017162813246,2.6287095784647336,2.6293009965225513,2.631154830361194,2.6298243795367684,first
+279,11.97,92,3.0522690969139136e+17,1.61,0.4762341789963717,80.7,Unknown,Base,1,1.818339571294216,1.2788380133350739,7.65,4.9325137166039585,4.703593099070673,4.684922353064988,4.6832905209528315,4.681364657850322,4.680823564405865,4.686319298730815,4.680494078087162,4.678663682896103,4.68790409871095,4.71,4.71,4.71,4.71,4.71,4.71,4.71,4.71,4.71,4.71,4.71,3.69,6.407486283396041,6.636406900929327,6.655077646935012,6.656709479047168,6.658635342149678,6.6591764355941345,6.6536807012691845,6.659505921912838,6.661336317103897,6.65209590128905,first
+273,1.48,90,1.6829274525975584e+17,4.41,1.4838746894587547,98.6,Ring,Enzyme,0,1.0121210554279356,0.8417364553428058,7.14,3.1774587595822195,1.4140801742872955,0.629357022189755,0.28036131453453156,0.12494753596877287,0.055678121713562866,0.02478804018442933,0.011030805511079773,0.004911178194634188,0.00219014545505814,2.42,2.42,2.42,2.42,2.42,2.42,2.42,2.42,2.42,2.42,2.42,3.25,7.21254124041778,8.975919825712705,9.760642977810246,10.109638685465468,10.265052464031227,10.334321878286437,10.36521195981557,10.378969194488919,10.385088821805365,10.387809854544942,first
+274,13.81,91,2.8227362911622656e+17,3.77,1.3270750014599193,179.5,Branched,Acid,0,1.2648611963246266,0.9884651876981899,1.62,0.37321877845252155,0.14750256705824033,0.06699045278465177,0.03214141897756296,0.015808313144947957,0.007855648408927184,0.003924978400182723,0.0019700397286534117,0.0009900822054318074,0.000497360660390155,2.3,1.053218778452521,0.8275025670582399,0.7469904527846513,0.7121414189775624,0.6958083131449475,0.6878556484089267,0.6839249784001822,0.6819700397286529,0.6809900822054312,0.6804973606603896,0.13,1.3767812215474786,1.6024974329417598,1.6830095472153486,1.7178585810224372,1.7341916868550522,1.742144351591073,1.7460750215998173,1.7480299602713467,1.7490099177945684,1.74950263933961,second
+279,1.78,90,4.598253333110755e+16,2.33,0.8458682675776092,145.8,Ring,Base,0,0.6487844801405687,0.48449802232912065,7.21,4.290627516719881,2.551808838050647,1.5204885559409331,0.9040476169090631,0.5389197951981725,0.32047491715659177,0.19101674100935268,0.11363639674906693,0.06772386117058204,0.04031149631387079,0.83,0.83,0.83,0.83,0.83,0.83,0.83,0.83,0.83,0.83,0.83,1.86,4.7793724832801185,6.518191161949353,7.549511444059067,8.165952383090936,8.531080204801826,8.749525082843407,8.878983258990647,8.956363603250933,9.002276138829417,9.02968850368613,first
+279,13.88,96,4.4804619777276256e+17,0.59,-0.527632742082372,129.6,Unknown,Base,1,0.47584355495934955,0.2599494638930888,7.55,1.532405741031985,1.5332334143766932,1.5321031884593284,1.5324079870366214,1.5325629952217923,1.5319428962459052,1.53307960907888,1.531583655440124,1.5336079243633294,1.5326227919194466,2.8,2.8,2.8,2.8,2.8,2.8,2.8,2.8,2.8,2.8,2.8,4.58,6.585864752989338,6.585588861874435,6.5859656038468914,6.5858640043211265,6.585812334926069,6.586019034584699,6.58564013030704,6.586138781519959,6.585464025212224,6.585792402693519,third
+280,2.86,98,1.5911489397429338e+17,0.8,-0.2231435513142097,88.0,Linear,Base,1,0.08297104008656575,0.05052644588547013,2.46,2.4826331555724566,2.502973676355104,2.521253204891581,2.5376823544312197,2.5524534552890557,2.5657274312461142,2.5776513141836825,2.5883617570777155,2.597985033998836,2.606637040112335,3.01,3.01,3.01,3.01,3.01,3.01,3.01,3.01,3.01,3.01,3.01,4.63,4.607366844427544,4.587026323644896,4.568746795108419,4.55231764556878,4.537546544710944,4.524272568753886,4.512348685816318,4.501638242922285,4.492014966001164,4.483362959887665,first
+280,6.24,92,2.790729858458663e+16,4.78,1.5644405465033646,101.4,Branched,None,1,0.19155241876536697,0.10601665195011628,1.26,1.4201690595426726,1.4815618476200842,1.504221018822301,1.5130159883312462,1.5156311492102728,1.517101701700884,1.5170540924967708,1.517571627115548,1.5175683967418605,1.5173385294842057,3.73,3.73,3.73,3.73,3.73,3.73,3.73,3.73,3.73,3.73,3.73,4.29,4.209915470228664,4.179219076189958,4.167889490588849,4.163492005834377,4.162184425394863,4.161449149149558,4.161472953751614,4.161214186442226,4.16121580162907,4.161330735257898,second
+280,11.01,97,2.9318717408534246e+17,2.7,0.9932517730102834,136.9,Unknown,Base,1,0.2349198373445575,0.13328168231880305,6.14,2.2285599863270185,1.7472356907468474,1.6349302172854212,1.605790977848688,1.5980653214331795,1.59538202570537,1.595263227130168,1.5945024413043878,1.595136133864733,1.5949362192794254,2.8,2.8,2.8,2.8,2.8,2.8,2.8,2.8,2.8,2.8,2.8,2.21,4.165720006836491,4.406382154626575,4.462534891357288,4.477104511075654,4.480967339283409,4.482308987147314,4.482368386434915,4.482748779347806,4.482431933067633,4.482531890360287,second
+276,13.68,94,3.713984907207629e+17,2.15,0.7654678421395714,185.7,Branched,None,0,0.6013662575453201,0.36901299615033617,6.68,4.160264288422268,4.159999834854238,4.160001775865772,4.159997659844474,4.160002146173167,4.159997878544333,4.160002729908111,4.1599985337922565,4.160003470643845,4.160000223716746,1.26,0.00013214421113392827,-8.257288094132057e-08,8.879328860444658e-07,-1.1700777628853066e-06,1.0730865839613397e-06,-1.0607278334753332e-06,1.3649540559098122e-06,-7.331038715304837e-07,1.7353219230790575e-06,1.1185837268371347e-07,0.6,1.859867855788866,1.8600000825728809,1.8599991120671138,1.8600011700777626,1.8599989269134156,1.860001060727833,1.8599986350459436,1.860000733103871,1.8599982646780764,1.8599998881416266,third
+270,11.87,94,2.889040270576344e+17,4.77,1.5623463049002497,90.1,Branched,Acid,0,0.18823639830581537,0.11787681218429034,9.43,1.0479371953172274,0.7436342416923872,0.6075328148838842,0.5262233155383722,0.47094448837767827,0.43007082720926754,0.39798823557538915,0.3723943095502087,0.3513220602640751,0.3332844669892841,4.56,4.56,4.56,4.56,4.56,4.56,4.56,4.56,4.56,4.56,4.56,3.86,6.654020934894257,6.755455252769203,6.800822395038704,6.827925561487208,6.84635183720744,6.859976390930243,6.870670588141536,6.879201896816596,6.886225979911974,6.892238511003571,third
+273,3.3,92,4.524158261681375e+17,4.32,1.463255402256019,33.5,Branched,Acid,0,1.1272485290408552,0.8455086990946475,8.22,7.3182011767673165,6.416402353534632,5.514603530301948,4.612804707069264,3.71100588383658,2.809207060603896,1.9074082373712127,1.0056094141385286,0.1038105909058471,-0.7979882323268352,0.12,0.12,0.12,0.12,0.12,0.12,0.12,0.12,0.12,0.12,0.12,3.07,3.971798823232684,4.8735976464653685,5.775396469698053,6.677195292930737,7.578994116163421,8.480792939396105,9.382591762628788,10.284390585861473,11.186189409094155,12.087988232326836,zero
+274,13.23,98,4.751895087450637e+17,1.2,0.1823215567939546,32.9,Branched,Acid,1,0.09856656079600402,0.08249030225518914,7.87,7.52818491146106,7.232466616364202,6.976246096178419,6.753769458213502,6.561382562807461,6.3956123375887275,6.253073402670304,6.130468070649759,6.024586346609235,5.93230592811544,3.32,3.32,3.32,3.32,3.32,3.32,3.32,3.32,3.32,3.32,3.32,3.84,4.18181508853894,4.477533383635798,4.733753903821582,4.956230541786499,5.14861743719254,5.314387662411273,5.456926597329697,5.5795319293502414,5.685413653390766,5.777694071884561,first
+276,12.97,92,2.0777913105775968e+17,3.91,1.3635373739972745,112.3,Linear,Enzyme,1,0.8043154338109099,0.47070111634004547,2.82,1.1616027748430904,1.1231130131623548,1.121729903789546,1.1219163279960744,1.122476313559884,1.122011917897035,1.12197468688827,1.122034272584206,1.1214847860819228,1.1218450118467072,2.23,2.23,2.23,2.23,2.23,2.23,2.23,2.23,2.23,2.23,2.23,1.3,2.1291986125784548,2.1484434934188226,2.1491350481052267,2.1490418360019627,2.1487618432200577,2.1489940410514827,2.149012656555865,2.148982863707897,2.1492576069590386,2.1490774940766464,second
+279,9.86,98,2.418803578997706e+17,2.75,1.0116009116784799,29.9,Unknown,Acid,0,0.10846424815805557,0.06097242436646611,5.67,5.198747277099765,4.766661277092488,4.370349200520709,4.006892304033619,3.673706869832479,3.3683477627951866,3.0885084304762738,2.8320209031069052,2.5968557935948833,2.3811222975246413,1.83,1.83,1.83,1.83,1.83,1.83,1.83,1.83,1.83,1.83,1.83,2.02,2.491252722900235,2.9233387229075123,3.319650799479291,3.6831076959663815,4.016293130167521,4.321652237204814,4.601491569523727,4.857979096893095,5.093144206405118,5.308877702475359,first
+273,11.1,95,2.2547486947171248e+17,3.63,1.2892326482767593,98.6,Branched,Acid,0,0.14981395461305558,0.09169430375951045,7.2,6.386775194375164,5.665406991346109,5.025056859412907,4.456222173324366,3.951795797277004,3.5050800831675537,3.109721109052117,2.75970867914616,2.4493763238245188,2.1734012996213976,3.52,3.52,3.52,3.52,3.52,3.52,3.52,3.52,3.52,3.52,3.52,1.29,1.29,1.29,1.29,1.29,1.29,1.29,1.29,1.29,1.29,1.29,first
+270,4.16,98,4.008127325829355e+17,4.33,1.4655675420143985,76.3,Linear,None,0,0.043955887230092645,0.03758627882324629,4.02,3.1339890606015373,2.568221418123644,2.1757241590577028,1.8888579772072955,1.6668331795179547,1.492320960349399,1.3518609316281167,1.234861786999492,1.1361895644427098,1.0521222287686878,4.19,4.19,4.19,4.19,4.19,4.19,4.19,4.19,4.19,4.19,4.19,0.95,1.3930054696992311,1.6758892909381777,1.8721379204711484,2.015571011396352,2.1265834102410226,2.2138395198253007,2.2840695341859414,2.3425691065002536,2.391905217778645,2.433938885615656,second
+277,10.17,92,1.6681406000135958e+17,0.55,-0.5978370007556204,75.1,Ring,Acid,1,0.7463060609383849,0.4648132756929234,7.9,5.4780252439221275,4.558486011637284,4.208712822412393,4.075961998897967,4.026745953048851,4.006734593279606,4.000133690956971,3.996599399100059,3.9966058703570666,3.9957749437251886,3.69,3.69,3.69,3.69,3.69,3.69,3.69,3.69,3.69,3.69,3.69,2.51,4.931974756077873,5.851513988362716,6.2012871775876075,6.334038001102033,6.383254046951149,6.4032654067203945,6.4098663090430295,6.413400600899941,6.413394129642933,6.414225056274812,first
+279,3.51,97,2.9625367057365504e+17,4.05,1.3987168811184478,126.0,Ring,Base,0,0.20444544612650248,0.10617907447839152,7.6,6.453292005604163,5.47962088005328,4.651409714897423,3.946963440861068,3.350144999366686,2.845655390770172,2.419001578353823,2.0564964883263452,1.7464674092618186,1.4829592118459605,2.92,2.92,2.92,2.92,2.92,2.92,2.92,2.92,2.92,2.92,2.92,1.62,1.62,1.62,1.62,1.62,1.62,1.62,1.62,1.62,1.62,1.62,first
+270,6.53,90,7.856976506415147e+16,4.15,1.423108334242607,153.7,Branched,Acid,1,0.3041444747135215,0.15567654746892792,9.7,2.184474176512083,1.7773001712534335,1.7158308550775248,1.7056715614175129,1.7039844754558962,1.7030647766016997,1.7037760312576917,1.7016591036499868,1.7053144979816302,1.7039236359059518,3.96,3.96,3.96,3.96,3.96,3.96,3.96,3.96,3.96,3.96,3.96,1.67,5.427762911743957,5.631349914373282,5.662084572461237,5.667164219291242,5.66800776227205,5.668467611699149,5.668111984371153,5.669170448175005,5.667342751009183,5.668038182047023,second
+271,11.11,98,4.1540778695591514e+17,2.48,0.9082585601768908,123.5,Ring,None,0,0.05351961682106184,0.044399097139248556,1.93,1.8871843065431504,1.8443686130863008,1.8015529196294515,1.758737226172602,1.7159215327157527,1.673105839258903,1.6302901458020536,1.587474452345204,1.5446587588883545,1.5018430654315051,2.4,2.4,2.4,2.4,2.4,2.4,2.4,2.4,2.4,2.4,2.4,4.68,4.722815693456849,4.765631386913698,4.808447080370548,4.851262773827397,4.894078467284246,4.936894160741096,4.979709854197945,5.022525547654794,5.0653412411116445,5.108156934568494,zero
+275,3.05,90,2.7398181399403635e+17,4.2,1.4350845252893227,124.2,Ring,None,1,2.198524060735397,1.4475840285601587,8.42,1.9002028329018616,1.8994446622010683,1.9029245979312535,1.9008542718884995,1.9005538139843072,1.9040105770248759,1.8995774402978594,1.9020015813637574,1.9019000298393087,1.9017503082321006,1.77,1.77,1.77,1.77,1.77,1.77,1.77,1.77,1.77,1.77,1.77,2.23,5.489898583549068,5.490277668899465,5.488537701034373,5.4895728640557495,5.489723093007845,5.487994711487561,5.490211279851068,5.488999209318119,5.489049985080342,5.489124845883946,second
+271,2.74,94,3.833938143875763e+17,0.53,-0.6348782724359695,21.2,Ring,Base,0,0.29154279045987236,0.14725166522915095,5.45,5.216765767632102,4.983531535264205,4.750297302896307,4.517063070528409,4.283828838160511,4.050594605792613,3.817360373424715,3.5841261410568173,3.3508919086889195,3.117657676321022,1.58,1.58,1.58,1.58,1.58,1.58,1.58,1.58,1.58,1.58,1.58,4.84,5.073234232367898,5.306468464735795,5.539702697103693,5.772936929471591,6.006171161839489,6.239405394207387,6.472639626575285,6.705873858943183,6.9391080913110805,7.172342323678977,zero
+276,10.11,97,4.6888003375106016e+17,1.96,0.6729444732424258,123.6,Branched,Base,0,0.20538670572684864,0.18460862269531128,1.15,0.8296530541058063,0.6245950032150703,0.4833785707757517,0.3821391672116883,0.3058846909442209,0.2477364306618453,0.20253258753134235,0.16647316579001545,0.1375548115045624,0.11415322424645598,2.16,1.8396530541058067,1.6345950032150707,1.493378570775752,1.3921391672116887,1.3158846909442212,1.2577364306618457,1.2125325875313426,1.1764731657900158,1.1475548115045628,1.1241532242464565,1.5,1.8203469458941937,2.0254049967849297,2.1666214292242483,2.2678608327883114,2.3441153090557787,2.4022635693381544,2.4474674124686575,2.4835268342099845,2.5124451884954375,2.535846775753544,second
+279,8.94,99,4.091787094004905e+17,0.75,-0.2876820724517809,65.5,Linear,None,1,0.11922610111260303,0.06658880334525091,7.38,1.6582318461440613,1.5244941270944679,1.5079716791719655,1.5055791393453672,1.5053010428604912,1.5057154755639377,1.503401682080624,1.5066826523078096,1.5054875716219425,1.5067352685458446,1.38,1.38,1.38,1.38,1.38,1.38,1.38,1.38,1.38,1.38,1.38,4.15,6.0572560512853135,6.101835290968511,6.1073427736093455,6.108140286884878,6.10823298571317,6.108094841478688,6.108866105973126,6.107772449230731,6.108170809459353,6.107754910484719,third
+279,11.95,100,2.6836909399149552e+17,1.82,0.598836501088704,107.0,Unknown,None,0,0.050811629191672376,0.02918725577395454,4.71,4.5223808959096985,4.3422354689081475,4.16926569053072,4.003184307531406,3.843718772226779,3.6906067639925024,3.5435953178443924,3.402440824438421,3.2669090300707158,3.136775036677558,2.83,2.83,2.83,2.83,2.83,2.83,2.83,2.83,2.83,2.83,2.83,4.53,4.717619104090302,4.897764531091853,5.07073430946928,5.2368156924685945,5.396281227773222,5.549393236007498,5.696404682155608,5.837559175561579,5.9730909699292845,6.103224963322442,first
+276,1.64,94,4.542181190526407e+17,1.8,0.5877866649021191,75.4,Linear,Enzyme,0,0.735467313918976,0.54845259208928,9.24,8.65162614886482,8.063252297729639,7.474878446594458,6.886504595459277,6.298130744324096,5.709756893188914,5.121383042053734,4.533009190918554,3.944635339783371,3.3562614886481903,4.68,4.68,4.68,4.68,4.68,4.68,4.68,4.68,4.68,4.68,4.68,2.87,3.458373851135181,4.046747702270363,4.635121553405543,5.223495404540724,5.811869255675905,6.400243106811087,6.988616957946268,7.5769908090814475,8.16536466021663,8.753738511351811,zero
+278,3.72,90,4.412901344539282e+17,1.25,0.22314355131420976,45.3,Ring,Acid,0,5.415249791337054,2.9659270803268187,4.06,0.05357862174179232,0.0007060859278734716,9.589949242471813e-06,2.862247776518487e-07,-9.223280718922826e-07,-4.294690809867836e-07,5.3663099317181e-07,2.7796579535851393e-07,-1.4192671704353294e-07,1.9819843859374258e-07,3.79,3.79,3.79,3.79,3.79,3.79,3.79,3.79,3.79,3.79,3.79,0.24,0.24,0.24,0.24,0.24,0.24,0.24,0.24,0.24,0.24,0.24,first
+275,12.57,96,4.182846354650653e+17,2.26,0.8153648132841944,152.1,Unknown,Base,0,0.24331863093244166,0.15148533724358648,9.58,0.9224936635952129,0.6543132877051838,0.5343842464970652,0.46306886747196746,0.4141897056078595,0.3784116224539683,0.3501670113382173,0.3275296116615248,0.3089537842237882,0.29318226270290304,2.98,2.98,2.98,2.98,2.98,2.98,2.98,2.98,2.98,2.98,2.98,0.49,3.3758354454682618,3.465228904098271,3.5052052511676437,3.5289770441760098,3.5452700981307124,3.557196125848676,3.5666109962205934,3.574156796112824,3.5803487385920696,3.5856059124323645,third
+271,3.21,97,4.027777198424653e+17,1.79,0.5822156198526637,189.3,Unknown,Acid,0,0.0808832347722351,0.05860315223796825,2.03,1.9652934121822117,1.9005868243644235,1.8358802365466356,1.7711736487288474,1.7064670609110593,1.641760473093271,1.577053885275483,1.512347297457695,1.4476407096399067,1.3829341218221185,1.82,1.82,1.82,1.82,1.82,1.82,1.82,1.82,1.82,1.82,1.82,0.91,0.9747065878177882,1.0394131756355762,1.1041197634533642,1.1688263512711523,1.2335329390889405,1.2982395269067286,1.3629461147245168,1.427652702542305,1.492359290360093,1.5570658781778812,zero
+280,5.53,95,2.863392735866152e+17,3.84,1.3454723665996355,131.5,Unknown,Acid,1,0.541718528062576,0.3749550307857006,4.89,3.83138158774871,3.324656076305438,3.0813185680662687,2.963232697065046,2.907524069156917,2.879993404817308,2.8675675462815944,2.8606134693351857,2.858236852686406,2.8567696861384606,0.34,0.34,0.34,0.34,0.34,0.34,0.34,0.34,0.34,0.34,0.34,2.09,3.14861841225129,3.655343923694562,3.8986814319337313,4.016767302934954,4.0724759308430825,4.100006595182692,4.112432453718404,4.119386530664813,4.121763147313593,4.123230313861539,first
+270,13.64,98,3.7731752720165306e+17,2.79,1.0260415958332743,192.5,Linear,Acid,0,0.04137924104539636,0.036054082395863676,8.71,8.42638956833502,8.152013925859634,7.886572352655144,7.629773089005962,7.381335366467872,7.140987811911248,6.908467149492804,6.6835182006555875,6.465893884128986,6.255355215928728,2.55,2.55,2.55,2.55,2.55,2.55,2.55,2.55,2.55,2.55,2.55,4.51,4.51,4.51,4.51,4.51,4.51,4.51,4.51,4.51,4.51,4.51,first
+279,2.43,100,9.40454593396419e+16,1.92,0.6523251860396901,110.8,Ring,None,1,0.017806085402955595,0.015624572785755943,7.25,5.690176175006564,5.040285492578026,4.686840628574024,4.470968379067459,4.32890275554951,4.232496446013819,4.164193499076198,4.115919423691709,4.081074224400991,4.0554305902148675,1.87,1.0900880875032821,0.7651427462890131,0.5884203142870121,0.4804841895337298,0.4094513777747554,0.3612482230069096,0.3270967495380993,0.30295971184585463,0.28553711220049577,0.2727152951074336,2.64,3.419911912496718,3.744857253710987,3.921579685712988,4.02951581046627,4.1005486222252445,4.148751776993091,4.182903250461901,4.207040288154146,4.224462887799505,4.237284704892567,third
+277,12.36,94,1.0997330180374574e+17,3.02,1.1052568313867783,180.8,Linear,None,1,0.20644888604462497,0.13206890354411946,6.87,1.410646482998596,1.3560542697340705,1.3531903865270667,1.3529724648721406,1.3514868214831448,1.352632057037902,1.3532684058085573,1.353627462779145,1.3537851314323759,1.352935804403312,3.01,3.01,3.01,3.01,3.01,3.01,3.01,3.01,3.01,3.01,3.01,2.03,3.849784505667135,3.8679819100886434,3.8689365378243115,3.8690091783759533,3.869504392838952,3.8691226476540326,3.8689105313971472,3.868790845740285,3.868738289522541,3.869021398532229,third
+275,6.5,94,2.45693381991468e+17,1.25,0.22314355131420976,196.7,Ring,Acid,0,0.34276693557225546,0.23312485659020077,6.92,5.260363334327501,3.998038544703472,3.0378692069281454,2.3106992233790633,1.7574310342518662,1.335042308417943,1.0150874934098024,0.7726064417691327,0.5873424368997037,0.4464929200753056,2.68,2.68,2.68,2.68,2.68,2.68,2.68,2.68,2.68,2.68,2.68,1.93,3.5896366656724994,4.851961455296528,5.812130793071854,6.539300776620936,7.092568965748133,7.514957691582056,7.834912506590197,8.077393558230867,8.262657563100296,8.403507079924694,first
+277,10.41,96,2.0010504447293315e+17,2.83,1.0402767116551463,113.8,Ring,Base,0,0.157624702477369,0.12925546533559923,8.51,5.719246690611696,4.739640729160238,4.278439414873091,4.031544089733986,3.8895304459606757,3.8053849983382184,3.754097666946682,3.722542568017924,3.7029097566889106,3.6906766195853744,4.84,2.049246690611697,1.0696407291602381,0.6084394148730912,0.3615440897339857,0.21953044596067547,0.13538499833821846,0.08409766694668222,0.05254256801792406,0.03290975668891058,0.020676619585374336,1.51,4.300753309388304,5.280359270839762,5.7415605851269085,5.988455910266014,6.130469554039324,6.214615001661781,6.265902333053317,6.2974574319820755,6.317090243311089,6.329323380414626,second
+272,11.47,99,1.0475111803765795e+17,1.51,0.412109650826833,126.0,Unknown,Enzyme,0,0.010176521721954343,0.008968556962708915,9.41,8.159709175324938,7.202866286758106,6.444030081422884,5.8326957474760786,5.332666790523549,4.912177849825113,4.548577498148544,4.234929705305692,3.9618968956400806,3.721871921289443,4.75,4.75,4.75,4.75,4.75,4.75,4.75,4.75,4.75,4.75,4.75,3.33,3.9551454123375307,4.4335668566209465,4.812984959288557,5.11865212626196,5.368666604738225,5.5789110750874435,5.760711250925727,5.917535147347153,6.054051552179959,6.174064039355278,second
+274,10.94,94,1.4401193917483234e+17,3.59,1.2781522025001875,112.6,Branched,Base,0,0.17291723730665287,0.10589346029460113,1.28,0.7327706634782505,0.5241115446931542,0.4117051720738259,0.3402322281104745,0.2907551360437136,0.2542532690153249,0.22588720219928807,0.20353652706449082,0.18540896880768692,0.17017046995219676,2.3,2.026385331739125,1.9220557723465768,1.8658525860369126,1.8301161140552369,1.8053775680218564,1.787126634507662,1.7729436010996436,1.761768263532245,1.752704484403843,1.745085234976098,2.61,2.8836146682608748,2.987944227653423,3.044147413963087,3.079883885944763,3.1046224319781435,3.1228733654923375,3.137056398900356,3.148231736467755,3.157295515596157,3.1649147650239016,third
+277,10.45,94,3.476233665829861e+17,4.94,1.5973653311998313,191.2,Unknown,Acid,1,0.6525807229304758,0.5694881194848981,5.41,1.7570826687394256,1.7243233769070125,1.7226909058001914,1.7224075628772963,1.7220024699051517,1.7234619510892593,1.7255493092860221,1.723572171748729,1.7221001179718909,1.7236753088171533,3.81,3.81,3.81,3.81,3.81,3.81,3.81,3.81,3.81,3.81,3.81,1.56,3.3864586656302875,3.402838311546494,3.4036545470999044,3.403796218561352,3.403998765047424,3.4032690244553705,3.4022253453569893,3.4032139141256357,3.403949941014055,3.4031623455914235,second
+274,5.12,91,2.2424036384945408e+17,1.56,0.44468582126144574,23.5,Ring,None,1,1.004815560599548,0.5558057998292091,2.45,1.6871871175561621,1.6855330282885674,1.6843739404599776,1.6840981586312387,1.6879868428701854,1.6859618557723994,1.683695106431105,1.68447076841392,1.685133065338909,1.6857480497789437,0.59,0.59,0.59,0.59,0.59,0.59,0.59,0.59,0.59,0.59,0.59,4.75,5.131406441221918,5.132233485855715,5.13281302977001,5.1329509206843795,5.131006578564906,5.1320190721138,5.133152446784448,5.13276461579304,5.132433467330546,5.132125975110529,second
+275,2.95,92,2.502495211941703e+17,4.18,1.430311246536665,139.3,Unknown,Base,0,0.8372993035363423,0.6135996343081952,4.49,3.8201605571709267,3.150321114341853,2.480481671512779,1.810642228683705,1.140802785854631,0.47096334302555665,-0.19887609980351773,-0.8687155426325921,-1.5385549854616638,-2.208394428290739,0.09,0.09,0.09,0.09,0.09,0.09,0.09,0.09,0.09,0.09,0.09,0.11,0.779839442829074,1.4496788856581477,2.119518328487222,2.7893577713162956,3.4591972141453695,4.129036656974444,4.798876099803518,5.468715542632593,6.138554985461664,6.80839442829074,zero
+272,13.71,94,1.1769624212453707e+17,2.17,0.7747271675523681,77.5,Unknown,Enzyme,0,0.10433585070321551,0.07752215760679063,3.05,1.7835115725946902,1.3598151229630193,1.131528761824882,0.9832121266104465,0.877258657423881,0.7963356225505047,0.7328670352390766,0.6809450668544966,0.6371797399817227,0.5999123410808774,1.8,1.1667557862973452,0.9549075614815098,0.8407643809124411,0.7666060633052234,0.7136293287119407,0.6731678112752526,0.6414335176195385,0.6154725334272485,0.5935898699908616,0.5749561705404389,3.63,4.263244213702654,4.475092438518489,4.589235619087558,4.663393936694775,4.716370671288058,4.756832188724747,4.78856648238046,4.81452746657275,4.8364101300091376,4.85504382945956,third
+280,3.54,90,2.4805821638557613e+17,3.07,1.1216775615991057,148.2,Linear,Enzyme,1,4.020143030316027,3.205284819866938,5.43,3.0109420280385337,3.0104442508047105,3.0121485075882046,3.0134215247417235,3.013921006878998,3.0135202453859207,3.0129173431632243,3.0120892742913483,3.0115601607919498,3.0120283422687324,3.67,1.250942028038534,1.2504442508047113,1.2521485075882055,1.2534215247417244,1.2539210068789985,1.2535202453859215,1.2529173431632254,1.2520892742913492,1.2515601607919509,1.252028342268733,2.31,4.729057971961466,4.729555749195289,4.727851492411794,4.726578475258274,4.726078993121,4.726479754614076,4.727082656836771,4.727910725708647,4.728439839208046,4.727971657731263,second
+273,4.2,95,2.3498121243448115e+17,2.92,1.0715836162801904,54.2,Linear,Acid,1,0.15613032519793374,0.12767420439885627,5.4,2.8730349273894764,2.396957331531691,2.270000041165246,2.233315369378916,2.221649417193165,2.2187640395868375,2.2174886168705865,2.2176062198976934,2.217180982778354,2.217357573943196,1.86,1.86,1.86,1.86,1.86,1.86,1.86,1.86,1.86,1.86,1.86,4.42,5.683482536305262,5.921521334234154,5.984999979417377,6.003342315310542,6.009175291403418,6.010617980206582,6.011255691564707,6.011196890051153,6.011409508610822,6.011321213028402,second
+279,6.93,100,2.3861851093554627e+17,4.03,1.3937663759585917,33.2,Ring,None,1,0.045178806231354715,0.02532224698754829,5.34,5.187595831948515,5.04354952469018,4.90740034962119,4.778711887744173,4.657081990204754,4.54212726919982,4.433482018968875,4.330798215794048,4.233745518000085,4.142011265954357,2.49,2.49,2.49,2.49,2.49,2.49,2.49,2.49,2.49,2.49,2.49,1.79,1.942404168051485,2.0864504753098205,2.2225996503788106,2.3512881122558276,2.4729180097952455,2.58787273080018,2.696517981031125,2.7992017842059522,2.8962544819999145,2.987988734045643,first
+270,7.82,98,2.3046482116519232e+17,1.54,0.43178241642553783,199.7,Unknown,None,0,0.025274360982393496,0.01900215599104598,3.02,2.858524464338654,2.7140534106298064,2.5839703339745554,2.466184280868297,2.3591999956644583,2.2616795548103066,2.1724222857408755,2.090364766878964,2.014580827635135,1.9442815484077167,2.8,2.6385244643386536,2.4940534106298062,2.3639703339745552,2.246184280868297,2.139199995664458,2.0416795548103064,1.9524222857408755,1.8703647668789638,1.7945808276351347,1.7242815484077165,2.74,2.9014755356613464,3.045946589370194,3.176029666025445,3.293815719131703,3.400800004335542,3.4983204451896937,3.5875777142591243,3.6696352331210362,3.7454191723648655,3.8157184515922835,second
+276,5.36,92,2.0687693610266717e+17,4.36,1.472472057360943,115.3,Branched,None,1,0.800823026642812,0.7099850725903295,7.55,6.33641280975638,5.973524863570238,5.863981374639854,5.831329395400477,5.822909831303937,5.81855059609126,5.819136230918563,5.816967497743083,5.817852490922503,5.819186011799733,0.64,0.64,0.64,0.64,0.64,0.64,0.64,0.64,0.64,0.64,0.64,4.83,6.04358719024362,6.406475136429761,6.516018625360145,6.548670604599522,6.557090168696062,6.561449403908739,6.560863769081436,6.563032502256916,6.562147509077496,6.560813988200266,first
+271,3.14,98,2.872583303269587e+17,2.66,0.9783261227936078,180.1,Ring,Enzyme,1,0.03700931049082233,0.03203763068559233,5.79,2.3112842044604927,1.8293780429744504,1.6462559586078314,1.5609914975759103,1.5165894118656829,1.494190966859256,1.481239139528887,1.4745347816600727,1.4711605603152282,1.4689336118903416,3.13,3.13,3.13,3.13,3.13,3.13,3.13,3.13,3.13,3.13,3.13,2.2,3.359571931846503,3.520207319008517,3.5812480137973903,3.609669500808031,3.6244701960447734,3.631936344380249,3.6362536201570386,3.63848840611331,3.6396131465615915,3.64035546270322,third
+275,6.81,100,4.6752732200639674e+17,1.6,0.47000362924573563,150.3,Unknown,Enzyme,1,0.0472831525504024,0.0323225999098069,3.92,2.0451958720902184,1.7269182197455648,1.6182864692119858,1.5757298905828239,1.5575331778973551,1.5498033977039163,1.5463192026542882,1.545216425465518,1.5443667306539273,1.5440763252410927,0.33,0.33,0.33,0.33,0.33,0.33,0.33,0.33,0.33,0.33,0.33,4.59,5.214934709303261,5.321027260084812,5.357237843596004,5.371423369805726,5.377488940700882,5.380065534098695,5.381226932448571,5.381594524844828,5.3818777564486915,5.38197455825297,third
+277,4.37,90,2.719485303963267e+17,1.26,0.23111172096338664,44.5,Branched,None,0,2.899546440047965,2.251174144854833,8.32,1.4054607252868843,1.400057510028661,1.4000010531773661,1.3999987305856378,1.3999995513782246,1.400002238852784,1.399998880039259,1.4000002503498898,1.4000008728037063,1.4000003944676793,3.46,0.0027303626434420185,2.8755014330276323e-05,5.265886827629649e-07,-6.347071813352744e-07,-2.2431088797358329e-07,1.119426391694186e-06,-5.599803707873619e-07,1.251749445670526e-07,4.3640185287773753e-07,1.97233839298661e-07,1.84,5.297269637356558,5.299971244985669,5.299999473411316,5.30000063470718,5.300000224310887,5.299998880573607,5.3000005599803695,5.299999874825055,5.2999995635981465,5.29999980276616,third
+276,2.56,93,9.501727600776243e+16,1.48,0.3920420877760237,85.1,Ring,None,1,0.23788347550530045,0.1860919277608374,7.08,2.3928625294765533,1.9425679704108205,1.8577154512291896,1.8396447492014936,1.835485220212502,1.835053269791217,1.834521836853911,1.8349306099357379,1.8343440872022245,1.835200377076551,2.59,2.59,2.59,2.59,2.59,2.59,2.59,2.59,2.59,2.59,2.59,1.68,4.023568735261723,4.2487160147945895,4.291142274385405,4.300177625399253,4.302257389893749,4.302473365104392,4.302739081573045,4.302534695032131,4.302827956398888,4.302399811461725,second
+277,11.62,97,2.2453074653192195e+17,2.68,0.9858167945227654,199.1,Unknown,None,0,0.1145677924321669,0.06388662591462817,4.28,3.9051599300077333,3.5631466230077256,3.2509407069783745,2.96599504464766,2.7060705527712257,2.469048440477185,2.2529302092661236,2.0558376530110967,1.876012857957632,1.711818202723728,0.04,0.04,0.04,0.04,0.04,0.04,0.04,0.04,0.04,0.04,0.04,1.5,1.8748400699922667,2.2168533769922742,2.5290592930216254,2.8140049553523396,3.073929447228774,3.310951559522815,3.5270697907338766,3.724162346988903,3.903987142042368,4.068181797276272,first
+278,3.72,90,4.575082689793062e+17,4.54,1.5129270120532565,29.1,Linear,Base,0,5.614269082156025,4.698296495132428,1.18,0.0001328238870114025,1.0313685005512926e-07,2.509745264844506e-07,6.315841873310344e-08,-3.7277186987726564e-07,1.4602413922716359e-06,-2.7955571631898236e-07,3.462437122305963e-07,4.772577501095592e-07,2.6765331437834754e-07,3.1,1.9201328238870115,1.92000010313685,1.9200002509745266,1.9200000631584189,1.9199996272281303,1.9200014602413924,1.919999720444284,1.9200003462437123,1.9200004772577504,1.9200002676533148,0.09,1.269867176112989,1.2699998968631503,1.2699997490254737,1.2699999368415815,1.27000037277187,1.269998539758608,1.2700002795557164,1.269999653756288,1.26999952274225,1.2699997323466856,second
+274,9.33,95,5.752823886575957e+16,3.32,1.199964782928397,189.7,Branched,None,0,0.04453245228987024,0.02952701445550982,7.88,6.619998618869033,6.418040771315954,6.37355099050082,6.363206991189994,6.360758442212045,6.360179646731245,6.360042712243926,6.360010006265516,6.360002226697636,6.3600009658323176,0.76,0.12999930943451665,0.029020385657976745,0.006775495250409666,0.0016034955949965732,0.0003792211060222308,8.982336562174876e-05,2.1356121962157926e-05,5.003132757122501e-06,1.1133488174958384e-06,4.829161576782605e-07,0.7,1.330000690565483,1.4309796143420228,1.45322450474959,1.4583965044050031,1.4596207788939775,1.459910176634378,1.4599786438780376,1.4599949968672425,1.4599988866511822,1.459999517083842,third
+270,8.97,99,3.2537146281224275e+17,1.5,0.4054651081081644,175.7,Branched,None,1,0.02285527147194603,0.0196424944354399,7.64,6.0694809355091675,5.087720308761398,4.420903351643159,3.951371201885653,3.6011600962656836,3.3371448806427098,3.135663242702451,2.9767418026806816,2.8501675896040037,2.7490683722485585,0.01,0.01,0.01,0.01,0.01,0.01,0.01,0.01,0.01,0.01,0.01,3.47,4.255259532245416,4.746139845619302,5.079548324178421,5.314314399057174,5.489419951867159,5.621427559678645,5.722168378648775,5.80162909865966,5.864916205197998,5.915465813875721,second
+280,3.33,100,3.631420793677106e+17,3.02,1.1052568313867783,38.2,Branched,Acid,0,0.08019997438876192,0.06350980284249355,6.98,5.551222251614465,4.735401809934683,4.210761955677584,3.8493519296951444,3.5890710514420627,3.3958954365661214,3.246868699074261,3.1310404588757477,3.039841657348697,2.9664473227732993,4.36,2.9312222516144653,2.115401809934683,1.590761955677584,1.2293519296951445,0.9690710514420627,0.7758954365661215,0.6268686990742609,0.511040458875748,0.41984165734869716,0.34644732277329926,4.17,5.598777748385535,6.414598190065317,6.939238044322416,7.300648070304856,7.560928948557938,7.754104563433879,7.90313130092574,8.018959541124252,8.110158342651303,8.183552677226702,second
+279,8.42,97,2.5954187178534164e+16,1.96,0.6729444732424258,129.0,Ring,Base,0,0.017911053612572638,0.01540127037722792,9.9,5.816183609344495,4.692685882793317,4.117971409069022,3.7591597715119773,3.5082259055650216,3.323156522267795,3.180409092276932,3.0656524064614814,2.972071931330147,2.894236155499475,3.8,1.7580918046722473,1.196342941396658,0.9089857045345106,0.7295798857559883,0.6041129527825104,0.511578261133897,0.44020454613846566,0.38282620323074046,0.3360359656650732,0.2971180777497372,0.19,2.2319081953277524,2.793657058603342,3.081014295465489,3.2604201142440115,3.3858870472174893,3.4784217388661025,3.549795453861534,3.6071737967692594,3.6539640343349267,3.6928819222502627,third
+277,3.86,94,2.4988757589467824e+17,2.48,0.9082585601768908,47.9,Branched,Base,1,0.4691048721253439,0.4039461986414231,5.3,3.6820726360586313,3.6804276135477023,3.6802587301538563,3.6801911877643025,3.6806360833057328,3.680330858617118,3.680940690904697,3.680565080235304,3.680662562335688,3.6804486488901955,0.97,0.16103631802931578,0.16021380677385122,0.16012936507692827,0.16009559388215142,0.1603180416528665,0.16016542930855918,0.1604703454523488,0.16028254011765183,0.16033128116784412,0.16022432444509782,1.71,2.5189636819706838,2.5197861932261483,2.5198706349230715,2.519904406117848,2.519681958347133,2.5198345706914402,2.51952965454765,2.5197174598823477,2.5196687188321554,2.519775675554902,third
+272,11.81,90,1.8208280326217818e+17,1.77,0.5709795465857378,191.0,Unknown,None,0,0.9465076098213058,0.8040724700165179,2.64,0.8697097121098779,0.6587083337120813,0.5621438492884685,0.504201235960909,0.4646240618609553,0.43564822993698005,0.41344688558759485,0.39558465585882785,0.38098015002994734,0.36878397765695264,1.19,0.30485485605493895,0.19935416685604063,0.15107192464423425,0.12210061798045449,0.10231203093047761,0.08782411496848999,0.07672344279379739,0.06779232792941388,0.06049007501497365,0.054391988828476276,0.79,1.6751451439450613,1.7806458331439599,1.828928075355766,1.8578993820195457,1.8776879690695225,1.8921758850315102,1.903276557206203,1.9122076720705863,1.9195099249850265,1.925608011171524,third
+278,8.42,90,2.6920832266681114e+17,0.76,-0.2744368457017603,156.3,Unknown,Base,0,3.3035642524654003,2.0313940800456005,7.09,0.5048401517280621,0.03602279365223834,0.00257361827524181,0.0001833127307639079,1.3049221012277032e-05,1.0871368492135814e-06,1.2199938366250589e-07,3.350321021431737e-07,-8.383837548973156e-07,7.207738871009571e-07,2.64,2.64,2.64,2.64,2.64,2.64,2.64,2.64,2.64,2.64,2.64,2.7,9.285159848271936,9.75397720634776,9.787426381724757,9.789816687269235,9.789986950778985,9.78999891286315,9.789999878000613,9.789999664967894,9.790000838383751,9.789999279226109,first
+276,12.29,98,3.536480243917556e+17,2.02,0.7030975114131134,133.4,Unknown,Acid,0,0.10018877080858707,0.07998017057004525,9.29,9.20984898335313,9.12969796670626,9.049546950059392,8.969395933412523,8.889244916765652,8.809093900118782,8.728942883471912,8.648791866825043,8.568640850178173,8.488489833531304,1.93,1.93,1.93,1.93,1.93,1.93,1.93,1.93,1.93,1.93,1.93,0.87,0.9501510166468697,1.0303020332937394,1.110453049940609,1.1906040665874786,1.2707550832343482,1.350906099881218,1.4310571165280874,1.511208133174957,1.5913591498218267,1.6715101664686962,zero
+278,7.59,100,2.7766977433946858e+17,0.9,-0.10536051565782628,163.2,Linear,Acid,0,0.04502058522225362,0.026167684824243396,1.2,1.0147773667027844,0.8836880860943648,0.7846027208419737,0.7075756550705505,0.6460547109086272,0.5946594136410331,0.5510375161169233,0.5138282485581095,0.4816668819586042,0.4534878691208838,2.16,2.0673886833513926,2.001844043047183,1.9523013604209873,1.9137878275352755,1.883027355454314,1.857329706820517,1.835518758058462,1.8169141242790552,1.8008334409793025,1.7867439345604423,1.79,1.8826113166486078,1.9481559569528177,1.997698639579013,2.0362121724647246,2.0669726445456864,2.0926702931794834,2.114481241941538,2.133085875720945,2.149166559020698,2.163256065439558,third
+276,8.32,90,3.388584952704928e+17,4.38,1.4770487243883548,115.8,Unknown,None,0,3.1359448001671657,2.1335667016212043,1.03,-1.4787558401337344,-3.987511680267465,-6.496267520401199,-9.005023360534931,-11.513779200668665,-14.022535040802403,-16.531290880936137,-19.04004672106987,-21.54880256120361,-24.05755840133735,2.99,2.99,2.99,2.99,2.99,2.99,2.99,2.99,2.99,2.99,2.99,1.24,3.748755840133734,6.257511680267465,8.766267520401199,11.27502336053493,13.783779200668665,16.292535040802402,18.801290880936136,21.31004672106987,23.818802561203608,26.32755840133735,zero
+279,5.88,94,2.415358590702258e+16,4.29,1.4562867329399256,160.2,Unknown,None,1,0.060754492757682486,0.04553415576480957,9.82,8.32888521863335,7.507626841585567,7.015349039416018,6.7029387063945345,6.50100511143788,6.365664411126395,6.274875841231043,6.213420881581666,6.1709795245676204,6.141906458408012,4.46,2.968885218633348,2.1476268415855664,1.6553490394160173,1.3429387063945342,1.1410051114378803,1.0056644111263948,0.9148758412310429,0.8534208815816656,0.8109795245676206,0.7819064584080119,2.07,3.561114781366652,4.382373158414434,4.874650960583983,5.187061293605466,5.38899488856212,5.524335588873606,5.615124158768958,5.676579118418335,5.71902047543238,5.748093541591989,second
+274,11.37,90,5.519399955581059e+16,3.9,1.3609765531356006,62.4,Linear,Acid,0,0.38362657618830837,0.2920243030459075,2.88,0.7150499241487815,0.5137445903213078,0.42158977996705294,0.3663830523243674,0.3279753373398091,0.2998879906055578,0.2778951767799526,0.26001123538770804,0.2452219897577798,0.2326948939366656,3.86,3.86,3.86,3.86,3.86,3.86,3.86,3.86,3.86,3.86,3.86,3.89,4.61165002528374,4.678751803226231,4.709470073344316,4.7278723158918785,4.740674887553397,4.750037336464815,4.757368274406683,4.763329588204098,4.768259336747407,4.772435035354445,third
+277,6.97,90,4.625902473840057e+17,0.94,-0.06187540371808753,33.5,Unknown,None,1,4.93219030471848,3.2095608051286204,2.55,1.4411257665752895,1.4410306862541034,1.4413764365316437,1.4419408558290008,1.442633541461209,1.4433583939343495,1.4438728549359203,1.4437341593669761,1.4431359653057283,1.442478546218609,0.94,0.94,0.94,0.94,0.94,0.94,0.94,0.94,0.94,0.94,0.94,4.24,4.609624744474902,4.609656437915296,4.609541187822782,4.609353048056994,4.609122152846257,4.608880535355209,4.608709048354686,4.608755280210999,4.608954678231412,4.6091738179271164,third
+280,3.02,100,2.6778577992778932e+16,4.24,1.4445632692438664,66.5,Linear,Acid,1,0.005914052353634496,0.004749479815935537,6.06,5.739285287043436,5.4527037469456365,5.194978138981863,4.962138002590378,4.751243655473052,4.559614741336101,4.384827402102708,4.224714277913031,4.077364507124196,3.9411237263102996,0.52,0.52,0.52,0.52,0.52,0.52,0.52,0.52,0.52,0.52,0.52,1.02,1.1803573564782817,1.3236481265271816,1.4525109305090684,1.568930998704811,1.6743781722634739,1.7701926293319499,1.8575862989486458,1.9376428610434844,2.011317746437902,2.0794381368448502,second
+274,12.78,97,3.498382083906679e+17,3.03,1.1085626195212777,175.3,Branched,Base,0,0.11255745306738087,0.05744285571534474,1.01,0.9230279817913883,0.8435453673128992,0.7708954053720725,0.7044768816605889,0.6437825704118468,0.5883363113394207,0.5376897926253204,0.49142255091999126,0.4491419713423142,0.4104832874796052,2.62,2.62,2.62,2.62,2.62,2.62,2.62,2.62,2.62,2.62,2.62,1.74,1.8269720182086118,1.906454632687101,1.9791045946279278,2.0455231183394114,2.1062174295881535,2.1616636886605796,2.2123102073746796,2.258577449080009,2.300858028657686,2.339516712520395,first
+274,11.67,98,1.879161705329661e+17,3.16,1.1505720275988207,55.7,Linear,Enzyme,0,0.038978660737493134,0.021321443762221864,2.88,2.693707676787366,2.533098125859967,2.392939070200314,2.2694420192565454,2.160450964042455,2.063961573161845,1.9780778120709592,1.9010119430784835,1.8310845253455454,1.766724414885715,2.24,2.0537076767873663,1.8930981258599677,1.7529390702003147,1.629442019256546,1.5204509640424555,1.4239615731618454,1.3380778120709595,1.2610119430784839,1.1910845253455458,1.1267244148857154,4.86,5.046292323212634,5.206901874140033,5.347060929799686,5.470557980743455,5.5795490359575455,5.676038426838155,5.7619221879290405,5.838988056921517,5.908915474654455,5.973275585114285,second
+280,7.37,92,4.439790198970159e+17,4.8,1.5686159179138452,56.4,Linear,None,0,3.047419831216533,2.180371935275094,1.0,0.08751934869444941,0.007661128874027695,0.0006713426850577081,5.868084019670621e-05,5.395780895580341e-06,5.065351210396469e-07,1.5048031902315113e-07,1.9729506661544874e-07,-1.204047192287585e-06,1.4342825259507538e-06,3.11,3.11,3.11,3.11,3.11,3.11,3.11,3.11,3.11,3.11,3.11,0.2,0.2,0.2,0.2,0.2,0.2,0.2,0.2,0.2,0.2,0.2,first
+276,11.12,93,4.238072524882592e+16,4.76,1.5602476682433286,30.4,Unknown,Enzyme,0,0.10610359126483827,0.06418979380951222,5.21,4.7860091272548475,4.396523440063345,4.038701993431312,3.709907481540709,3.4078820409663564,3.1305108999660467,2.8758018186875027,2.6418850891683725,2.4270135353362354,2.2295625130085983,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,3.29,3.29,3.29,3.29,3.29,3.29,3.29,3.29,3.29,3.29,3.29,first
+280,11.74,97,2.7890324441041027e+17,3.58,1.275362800412609,24.5,Ring,Enzyme,1,0.22347466261498558,0.1732855948640338,4.1,2.423530538667355,2.1954483457901084,2.1547984870759853,2.1473951482152227,2.1464426393783915,2.145319223821793,2.1461832224042827,2.14346928046866,2.147663270729673,2.1466727614171175,0.53,0.53,0.53,0.53,0.53,0.53,0.53,0.53,0.53,0.53,0.53,4.96,5.798234730666322,5.912275827104946,5.932600756462008,5.936302425892388,5.9367786803108045,5.937340388089103,5.936908388797858,5.938265359765669,5.936168364635163,5.936663619291441,second
+279,4.88,90,2.6832960958753062e+17,2.96,1.085189268335969,77.5,Unknown,Base,0,3.785961182456118,2.1567302222285964,6.6,0.23483022627230782,0.16620680454089465,0.13565208930078942,0.11752784493596072,0.10508351361229651,0.09600157936129859,0.0888358126736413,0.08308078390764222,0.07835107642448855,0.07434035545624154,0.31,0.31,0.31,0.31,0.31,0.31,0.31,0.31,0.31,0.31,0.31,2.91,5.031723257909231,5.054597731819702,5.0647826368997375,5.070824051688014,5.074972162129235,5.077999473546234,5.08038806244212,5.08230640536412,5.083882974525171,5.085219881514587,third
+275,3.42,92,1.7593588941175818e+17,2.75,1.0116009116784799,161.3,Linear,Acid,0,0.5886564616329973,0.385313923910895,2.35,1.4671507805317137,0.9161693949468389,0.571722395378944,0.35768519145104677,0.2231716106004397,0.1396128347641732,0.08709744059012162,0.05449365390480983,0.03399525412742503,0.02126789216467305,0.99,0.99,0.99,0.99,0.99,0.99,0.99,0.99,0.99,0.99,0.99,3.31,3.31,3.31,3.31,3.31,3.31,3.31,3.31,3.31,3.31,3.31,first
+277,3.83,93,3.473802348046812e+16,2.53,0.9282193027394288,148.9,Linear,Enzyme,1,0.10067227945691636,0.0534382346815472,4.69,2.8168159993588566,2.1257668874104785,1.797979515741098,1.622170271190537,1.5238197389333044,1.4649071465024048,1.4305251102699421,1.409500979337245,1.3964888600070233,1.388701466966258,1.15,1.15,1.15,1.15,1.15,1.15,1.15,1.15,1.15,1.15,1.15,1.91,2.8465920003205722,3.1921165562947613,3.3560102421294515,3.443914864404732,3.4930901305333486,3.5225464267487983,3.5397374448650294,3.550249510331378,3.556755569996489,3.5606492665168714,second
+280,3.47,98,4.1807068484142726e+17,1.81,0.5933268452777344,82.2,Ring,None,0,0.21800447893080466,0.14733114188360324,9.69,6.44578496306231,5.684005923695054,5.427852060434379,5.331917780536266,5.294551538349414,5.279776941346183,5.273900193632914,5.271557074766539,5.27062197524874,5.270248460807139,4.42,1.1757849630623092,0.4140059236950536,0.15785206043437872,0.06191778053626484,0.0245515383494138,0.00977694134618298,0.003900193632914296,0.001557074766539103,0.0006219752487395184,0.00024846080713852175,2.77,6.01421503693769,6.775994076304946,7.032147939565621,7.128082219463734,7.165448461650586,7.180223058653817,7.186099806367086,7.188442925233461,7.18937802475126,7.189751539192861,second
+270,1.81,92,2.7346057280988288e+17,2.36,0.8586616190375187,78.3,Ring,None,0,0.43429213258152993,0.3578240227322379,9.31,6.57722425537496,4.646807733241401,3.2793830033881353,2.319325394458708,1.6406042961925529,1.1580863927259526,0.8192453740846659,0.5790869920311746,0.4090421414905427,0.28923529104643514,2.67,2.67,2.67,2.67,2.67,2.67,2.67,2.67,2.67,2.67,2.67,4.68,4.68,4.68,4.68,4.68,4.68,4.68,4.68,4.68,4.68,4.68,first
+273,11.61,92,9.10044466587545e+16,2.09,0.7371640659767196,89.1,Branched,None,0,0.22674854127258812,0.17704466214982026,8.98,2.1152822518954966,1.19807914621014,0.8358981596743369,0.642379643779215,0.5211053442743965,0.43878381097570834,0.37840597189726155,0.3330886694797633,0.2974005610231788,0.26843733050499496,3.45,3.45,3.45,3.45,3.45,3.45,3.45,3.45,3.45,3.45,3.45,3.77,7.202358874052253,7.660960426894931,7.8420509201628334,7.938810178110394,7.9994473278628035,8.040608094512148,8.070797014051372,8.093455665260121,8.111299719488413,8.125781334747504,second
+270,9.47,92,3.780175819089455e+17,1.44,0.36464311358790924,166.3,Linear,None,0,0.6003427116152664,0.43127314546401024,6.42,3.9707720000457583,2.4565254127324243,1.5188252301839664,0.9412481798847318,0.5819054760404898,0.36057540138336364,0.22289961602942135,0.1381314908517346,0.08538351860206332,0.05292007888071753,4.1,4.1,4.1,4.1,4.1,4.1,4.1,4.1,4.1,4.1,4.1,0.96,0.96,0.96,0.96,0.96,0.96,0.96,0.96,0.96,0.96,0.96,first
+274,4.97,92,3.266154972268297e+17,3.48,1.247032293786383,39.9,Branched,None,0,0.9435503763950436,0.8252975808945185,2.6,1.574736752890654,1.3655262479721053,1.298837610862873,1.2747447017939941,1.2656614999431317,1.262183110267259,1.2608431370619615,1.260325774008883,1.2601259252644559,1.2600490026716071,1.34,0.3147367528906542,0.10552624797210561,0.03883761086287312,0.01474470179399436,0.0056614999431320095,0.0021831102672591803,0.0008431370619617268,0.0003257740088832215,0.00012592526445600032,4.90026716074092e-05,3.57,4.595263247109346,4.804473752027895,4.871162389137127,4.895255298206005,4.904338500056868,4.907816889732741,4.909156862938038,4.909674225991116,4.909874074735543,4.909950997328392,second
+274,12.24,90,9.14776192570146e+16,3.22,1.169381359556317,82.9,Linear,Enzyme,1,0.6358163234382188,0.40780884613270474,9.95,2.010588995003097,1.9734602546174416,1.97220851936815,1.9733318376381725,1.9763069222058844,1.97340225680317,1.97275421519957,1.9745419586456596,1.972969870032738,1.9737717731876485,1.17,1.17,1.17,1.17,1.17,1.17,1.17,1.17,1.17,1.17,1.17,2.08,6.049705502498451,6.068269872691279,6.068895740315925,6.068334081180914,6.066846538897058,6.068298871598414,6.068622892400214,6.067729020677169,6.068515064983631,6.068114113406176,second
+273,11.91,93,2.066384395604011e+17,1.63,0.4885800148186709,95.1,Branched,Enzyme,1,0.3313984050348662,0.2832110669507389,9.03,1.8406819027031327,1.8419243052395453,1.839956769190596,1.841391800191855,1.8401442682200277,1.8411800297716117,1.8403706127685135,1.840993012001401,1.840622564829426,1.8409937102259832,0.13,0.13,0.13,0.13,0.13,0.13,0.13,0.13,0.13,0.13,0.13,4.9,7.296439365765623,7.2960252315868175,7.296681076936468,7.296202733269381,7.29661857725999,7.296273323409463,7.296543129077162,7.2963356626662,7.2964591450568586,7.296335429924674,third
+274,13.89,92,3.2365711815847354e+17,4.39,1.47932922708708,108.6,Branched,Acid,0,0.9350039978331957,0.6102431620316308,9.65,0.472456470033362,0.3341559440013552,0.272915412698803,0.2365335116560819,0.21143575998906355,0.19304768388104876,0.17883476839215476,0.16723137016406245,0.15763698114617583,0.14952375449018973,3.5,3.5,3.5,3.5,3.5,3.5,3.5,3.5,3.5,3.5,3.5,4.61,7.669181176655546,7.715281351999549,7.735694862433733,7.747822162781306,7.756188080003645,7.762317438706317,7.767055077202615,7.770922876611979,7.7741210062846084,7.776825415169937,third
+275,4.47,99,3.731698409735953e+17,2.24,0.8064758658669485,48.3,Linear,Acid,0,0.058446293179649,0.043105993402062504,4.97,1.7669845676685583,1.2913305640150856,1.066273095579453,0.9295616991926072,0.833720644627757,0.763121641365174,0.7080107528612791,0.6629098504558067,0.6255044697754941,0.5937855675972764,2.94,2.94,2.94,2.94,2.94,2.94,2.94,2.94,2.94,2.94,2.94,0.92,1.9876718107771474,2.146223145328305,2.2212423014735156,2.2668127669357974,2.298759785124081,2.3222927862116083,2.3406630823795735,2.355696716514731,2.3681651767415017,2.3787381441342412,third
+278,8.17,90,3.075755308745797e+17,3.83,1.3428648031925547,26.6,Unknown,None,0,3.774383788230471,2.695153858314958,4.6,0.5577177297979382,0.4441973780117311,0.4193800730273017,0.4126824644678221,0.4107744294874353,0.41022435955303177,0.41006505214449956,0.41001880504284177,0.41000557345770305,0.4100017426917927,4.19,0.14771772979793915,0.034197378011731984,0.009380073027302569,0.0026824644678229686,0.0007744294874362119,0.0002243595530326529,6.505214450042642e-05,1.880504284267212e-05,5.573457703948966e-06,1.7426917935465222e-06,1.43,5.472282270202061,5.585802621988268,5.610619926972698,5.6173175355321785,5.619225570512564,5.619775640446968,5.6199349478555005,5.619981194957158,5.619994426542297,5.6199982573082075,second
+276,3.54,90,9.17573298382898e+16,3.43,1.2325602611778486,65.5,Ring,Enzyme,1,0.8491624834546823,0.4414527789738853,5.08,1.3432318907236753,1.342371555521493,1.3446676107598148,1.343828862840909,1.3432756740979983,1.3443607859357078,1.3424628859634484,1.344979039935257,1.3432129522082703,1.3438909907527605,4.64,4.64,4.64,4.64,4.64,4.64,4.64,4.64,4.64,4.64,4.64,3.42,4.665589369758775,4.665876148159502,4.665110796413395,4.66539037905303,4.665574775300667,4.665213071354764,4.66584570467885,4.665006986688247,4.665595682597242,4.66536966974908,third
+278,2.75,99,4.681160790536274e+17,0.69,-0.37106368139083207,175.3,Unknown,Acid,0,0.11698690789437348,0.07354985504431875,6.76,2.9891948300349322,1.9194220757711784,1.4130811794547686,1.1177472605967815,0.9256270435976575,0.7890299219749353,0.6876126529307007,0.6100127312792207,0.5476230257633672,0.49670988337184824,4.56,4.56,4.56,4.56,4.56,4.56,4.56,4.56,4.56,4.56,4.56,1.06,2.945402584982534,3.480288962114411,3.7334594102726157,3.8811263697016094,3.977186478201171,4.045485039012533,4.09619367353465,4.13499363436039,4.166188487118317,4.1916450583140765,second
+274,2.0,92,3.492605848298049e+17,4.36,1.472472057360943,102.3,Unknown,Base,1,1.0089691367193496,0.6059327753219356,2.98,1.5016933072045897,1.5003633237899465,1.4997833666870197,1.499535792626369,1.5013020481727462,1.5004914586325706,1.5010619597169426,1.5002309931174622,1.4990826290936161,1.5007594976272556,1.53,0.7908466536022949,0.7901816618949733,0.7898916833435099,0.7897678963131846,0.7906510240863731,0.7902457293162853,0.7905309798584713,0.7901154965587311,0.7895413145468081,0.7903797488136278,2.22,2.9591533463977058,2.9598183381050274,2.9601083166564908,2.960232103686816,2.959348975913628,2.9597542706837157,2.95946902014153,2.9598845034412697,2.9604586854531934,2.959620251186373,third
+274,8.94,96,1.5806240987043814e+17,4.89,1.5871923034867805,193.2,Branched,Acid,1,0.0788823560847147,0.045720027201990844,3.88,2.7418458815728024,2.20563596662566,1.9093138367486777,1.732406706085766,1.6237797063935444,1.5529141507822088,1.5077470241606934,1.4777126313884188,1.4574874393400226,1.444076363514997,4.87,4.87,4.87,4.87,4.87,4.87,4.87,4.87,4.87,4.87,4.87,2.23,2.799077059213599,3.0671820166871697,3.2153430816256607,3.3037966469571165,3.3581101468032277,3.3935429246088953,3.416126487919653,3.4311436843057903,3.441256280329988,3.447961818242501,second
+276,10.29,97,4.2565097942778054e+17,1.33,0.28517894223366247,68.1,Branched,Base,0,0.18645078945821245,0.09475311716117182,2.32,1.9985187560579551,1.7215533097150675,1.482612541936955,1.2768086360577442,1.0998631884244383,0.9477944170965292,0.8169171618459989,0.703873255102353,0.6063371499246615,0.5223188642899403,1.59,1.59,1.59,1.59,1.59,1.59,1.59,1.59,1.59,1.59,1.59,0.8,1.1214812439420447,1.3984466902849324,1.637387458063045,1.8431913639422555,2.020136811575562,2.1722055829034708,2.303082838154001,2.416126744897647,2.513662850075338,2.5976811357100593,first
+279,2.98,97,1.0219486348845346e+17,1.24,0.2151113796169455,117.2,Branched,None,1,0.07052494714167387,0.05538223724586382,9.84,4.869921105522932,3.454839033653524,2.8489608161633972,2.5478274365260494,2.3867256608549408,2.2957906891540145,2.2446254698494377,2.2151662302793267,2.1975656359233016,2.1876048608503056,3.43,3.43,3.43,3.43,3.43,3.43,3.43,3.43,3.43,3.43,3.43,2.18,4.665039447238534,5.372580483173238,5.6755195919183015,5.826086281736975,5.90663716957253,5.9521046554229935,5.977687265075281,5.992416884860337,6.00121718203835,6.006197569574848,second
+276,12.38,94,3.472332860141066e+17,1.26,0.23111172096338664,22.6,Linear,Base,0,0.562238099837796,0.46199590676520697,3.2,0.4556874063897688,0.26309992747126776,0.18690266708625258,0.14547826932813623,0.11918794388468373,0.10114568917908805,0.08788156360743218,0.07766325520126419,0.06965535914658126,0.06316160100643854,3.22,1.847843703194885,1.7515499637356342,1.7134513335431267,1.6927391346640686,1.6795939719423423,1.6705728445895445,1.6639407818037166,1.6588316276006325,1.654827679573291,1.6515808005032198,4.93,6.302156296805116,6.398450036264366,6.436548666456874,6.457260865335932,6.470406028057658,6.479427155410455,6.486059218196284,6.491168372399368,6.495172320426709,6.498419199496781,third
+272,1.87,92,5.5429075516546184e+16,3.62,1.2864740258376797,134.3,Unknown,None,1,0.118987326645374,0.09904339864624011,8.68,3.7519571232149946,2.8569575757305254,2.5879334864347023,2.4961888967961965,2.4638059538167076,2.450945249357291,2.447396790832107,2.4449775849992657,2.4450252196545477,2.4447354297614043,3.82,3.82,3.82,3.82,3.82,3.82,3.82,3.82,3.82,3.82,3.82,4.06,6.524021438392502,6.971521212134737,7.1060332567826485,7.151905551601902,7.168097023091646,7.174527375321355,7.176301604583947,7.177511207500368,7.177487390172726,7.177632285119298,second
+279,1.36,96,4.8651787985358816e+17,3.42,1.2296405510745139,126.3,Unknown,Enzyme,0,0.516702069232225,0.38242609399937216,2.1,1.2056391482568856,0.8679391533053038,0.6915206452049477,0.5831205346060273,0.5100914860378203,0.45767584201437084,0.4186366326575564,0.3881609817387559,0.36399524454774856,0.3444225892300208,1.88,0.9856391482568854,0.6479391533053036,0.47152064520494746,0.36312053460602706,0.2900914860378201,0.23767584201437061,0.1986366326575562,0.16816098173875565,0.14399524454774837,0.12442258923002054,0.39,1.2843608517431147,1.6220608466946964,1.7984793547950526,1.906879465393973,1.97990851396218,2.0323241579856295,2.071363367342444,2.1018390182612445,2.126004755452252,2.1455774107699797,second
+280,7.6,91,3.326561796380925e+17,3.6,1.2809338454620642,96.7,Linear,Enzyme,0,3.5085240700799023,3.100968797045502,8.14,0.4924376624703837,0.029810767485131735,0.0018047765857628119,0.00010943714254905943,6.6495794005011475e-06,3.6307681707364214e-07,-4.52223903589369e-08,-9.363533890707085e-07,7.221914476559664e-07,7.468724203208467e-07,3.91,3.91,3.91,3.91,3.91,3.91,3.91,3.91,3.91,3.91,3.91,2.27,9.917562337529619,10.38018923251487,10.40819522341424,10.409890562857454,10.409993350420603,10.409999636923185,10.410000045222393,10.41000093635339,10.409999277808554,10.409999253127582,first
+274,1.07,93,1.7025688017756285e+17,4.8,1.5686159179138452,130.1,Unknown,Acid,1,0.31709450669125594,0.19949201652435844,1.38,1.5704941992788937,1.696298020209178,1.7801274149891317,1.8350331063414296,1.8708006793418377,1.8953501078200596,1.911383064980224,1.9215106385273186,1.9285125019429625,1.9332302401433223,3.6,3.6,3.6,3.6,3.6,3.6,3.6,3.6,3.6,3.6,3.6,3.65,3.4595058007211064,3.3337019797908223,3.2498725850108685,3.1949668936585707,3.159199320658163,3.1346498921799406,3.1186169350197765,3.108489361472682,3.101487498057038,3.096769759856678,first
+277,5.2,100,2.8774937059775978e+17,0.96,-0.040821994520255166,72.0,Linear,Enzyme,1,0.039908237859768075,0.02809528742077046,3.29,3.04992958871951,2.8569192258128613,2.6993365626950627,2.5695836816426016,2.462829434531745,2.3745625541047164,2.300554854435951,2.2371000879670944,2.183053779790674,2.137105326163659,3.3,3.05992958871951,2.866919225812861,2.7093365626950625,2.5795836816426014,2.4728294345317448,2.384562554104716,2.3105548544359507,2.247100087967094,2.1930537797906737,2.1471053261636586,3.48,3.72007041128049,3.9130807741871387,4.070663437304937,4.200416318357399,4.307170565468255,4.395437445895284,4.469445145564049,4.5328999120329065,4.5869462202093265,4.632894673836342,second
+277,3.43,98,4.319037650814623e+17,2.69,0.9895411936137477,111.5,Ring,Base,0,0.14275594269416547,0.07441775638747894,1.05,0.9366787615105608,0.8355882429599951,0.7453571995028675,0.6647732926631038,0.5929047029911462,0.5288751776666378,0.4718561923116393,0.4210669509906258,0.3757743862104897,0.3352931589205386,3.76,3.76,3.76,3.76,3.76,3.76,3.76,3.76,3.76,3.76,3.76,3.98,4.093321238489439,4.1944117570400055,4.284642800497133,4.365226707336896,4.437095297008854,4.501124822333363,4.558143807688362,4.608933049009375,4.654225613789511,4.694706841079462,first
+271,11.38,90,4.429223910489892e+17,3.1,1.1314021114911006,93.3,Ring,Enzyme,0,1.9879418776077569,1.788689201794816,4.79,0.3237275739461648,0.229156209167095,0.18723570215672158,0.16204631558919752,0.14507571863601387,0.13236376264627747,0.12253445510262641,0.11469504519081929,0.1081441277604495,0.10257214458485674,3.41,3.41,3.41,3.41,3.41,3.41,3.41,3.41,3.41,3.41,3.41,4.08,5.568757475351278,5.600281263610968,5.614254765947758,5.622651228136934,5.628308093787995,5.632545412451241,5.635821848299124,5.638434984936393,5.640618624079849,5.642475951805047,third
+273,10.93,94,2.5056070407824772e+16,4.72,1.5518087995974639,182.3,Branched,None,1,0.02586483265648059,0.022622841803015898,9.57,2.785620954408882,2.097425348341035,1.8139244653886173,1.6659777253874843,1.5791279330051085,1.5261727183184166,1.4915670191694494,1.4699424762306066,1.4555443743842102,1.4457126129881115,4.74,4.74,4.74,4.74,4.74,4.74,4.74,4.74,4.74,4.74,4.74,0.6,2.861459681863706,3.090858217219655,3.1853585115371277,3.234674091537505,3.263624022331631,3.281275760560528,3.2928109936101837,3.300019174589798,3.30481854187193,3.3080957956706296,third
+280,6.94,98,3.5976215396143994e+17,2.67,0.9820784724121582,165.5,Ring,None,1,0.18759928346359844,0.1670047384303865,9.08,8.757826752942659,8.68663603673865,8.670529101389494,8.666820499946876,8.665989199921732,8.66586570901751,8.665713012744956,8.66582441963902,8.665755517261836,8.665771290457434,0.69,0.3678267529426603,0.2966360367386503,0.2805291013894965,0.27682049994687885,0.27598919992173293,0.2758657090175122,0.2757130127449568,0.27582441963902,0.2757555172618378,0.27577129045743387,2.27,2.59217324705734,2.66336396326135,2.6794708986105036,2.683179500053121,2.6840108000782674,2.684134290982488,2.6842869872550437,2.6841755803609804,2.6842444827381624,2.6842287095425665,second
+271,5.95,96,1.832625164970804e+17,1.99,0.688134638736401,114.6,Unknown,Acid,0,0.057361622778218435,0.03234797080172279,5.94,5.513233348684297,5.203327571095598,4.971337165630799,4.795297491712912,4.658508937886269,4.550076366249434,4.464177317387504,4.395683084806097,4.340309452810688,4.295324738527706,1.85,1.4232333486842967,1.1133275710955985,0.8813371656307993,0.7052974917129124,0.5685089378862699,0.4600763662494345,0.37417731738750437,0.30568308480609757,0.25030945281068867,0.2053247385277061,1.41,1.836766651315703,2.146672428904401,2.3786628343692002,2.5547025082870873,2.6914910621137302,2.7999236337505655,2.8858226826124955,2.9543169151939024,3.0096905471893116,3.054675261472294,second
+273,12.96,100,4.174442355857794e+17,3.77,1.3270750014599193,146.2,Branched,None,1,0.03064359059745989,0.021376817519199776,8.18,8.009379499301701,7.8457138877015895,7.688718657908933,7.538121228205288,7.393663140108469,7.255095189994984,7.122177249855406,6.994678267294374,6.872376265530591,6.7550583433968265,2.19,2.19,2.19,2.19,2.19,2.19,2.19,2.19,2.19,2.19,2.19,1.54,1.7106205006982989,1.8742861122984105,2.0312813420910665,2.1818787717947123,2.3263368598915313,2.464904810005016,2.5978227501445934,2.725321732705626,2.847623734469409,2.964941656603173,first
+271,8.09,90,2.67321299965253e+17,4.31,1.4609379041156563,119.0,Ring,Enzyme,1,1.1998020820733222,0.9474056324979232,6.87,3.6389818106597906,3.6316846881443157,3.632133997242034,3.63266293802467,3.630442553478547,3.6320656079966662,3.632423695295104,3.6317518334242114,3.630979870396914,3.632368867532901,4.71,1.4789818106597896,1.4716846881443146,1.4721339972420326,1.4726629380246687,1.4704425534785455,1.4720656079966643,1.472423695295102,1.4717518334242097,1.4709798703969124,1.4723688675328992,3.53,6.761018189340209,6.768315311855686,6.767866002757969,6.767337061975333,6.769557446521455,6.767934392003337,6.7675763047049,6.768248166575792,6.769020129603089,6.767631132467103,second
+275,4.98,96,3.938045217429768e+17,3.45,1.2383742310432684,154.1,Unknown,Base,0,0.22907840489758763,0.1673431035242744,5.29,5.10673727608193,4.92347455216386,4.74021182824579,4.556949104327719,4.37368638040965,4.190423656491579,4.007160932573509,3.823898208655439,3.640635484737369,3.4573727608192986,1.05,1.05,1.05,1.05,1.05,1.05,1.05,1.05,1.05,1.05,1.05,3.99,4.173262723918071,4.356525447836141,4.539788171754211,4.723050895672281,4.9063136195903505,5.089576343508421,5.272839067426491,5.456101791344562,5.639364515262631,5.822627239180702,zero
+273,4.77,93,2.664362081632987e+16,0.6,-0.5108256237659907,74.0,Branched,Acid,1,0.04272996573952806,0.02968591485003137,1.29,1.2704093364251343,1.2589828366734277,1.252720252432549,1.2482879941232299,1.24556600657806,1.2442752001876682,1.2434989602007258,1.2427995741762885,1.2423944644178746,1.2421608258648527,2.5,2.5,2.5,2.5,2.5,2.5,2.5,2.5,2.5,2.5,2.5,2.74,2.7465302211916223,2.750339054442191,2.752426582522484,2.7539040019589236,2.754811331140647,2.755241599937444,2.7555003465997583,2.7557334752745706,2.7558685118607085,2.7559463913783824,third
+280,5.0,99,4.5908616614220755e+17,2.26,0.8153648132841944,37.6,Ring,Enzyme,0,0.15579405569296065,0.13110293731762984,3.31,2.922129079129998,2.5797119697409943,2.2771464528734597,2.009576267576839,1.7734542500658081,1.565425244539349,1.382293864487669,1.2210244926922011,1.0787412812256059,0.952728151451768,3.56,3.56,3.56,3.56,3.56,3.56,3.56,3.56,3.56,3.56,3.56,1.65,1.65,1.65,1.65,1.65,1.65,1.65,1.65,1.65,1.65,1.65,first
+276,13.63,98,4.30145426276359e+17,3.82,1.3402504226184837,87.5,Unknown,Base,0,0.1218605465184914,0.07533475841841007,5.15,2.5741278965818717,1.7148982257027987,1.2864995312722871,1.0298193918507266,0.8576281761679972,0.7352326393331811,0.6437768101465955,0.571919388499738,0.5146393836367229,0.467802573484895,3.4,3.4,3.4,3.4,3.4,3.4,3.4,3.4,3.4,3.4,3.4,1.2,2.487936051709064,2.9175508871486007,3.1317502343638566,3.2600903040746365,3.3461859119160016,3.4073836803334094,3.4531115949267024,3.489040305750131,3.517680308181639,3.541098713257553,second
+273,4.11,96,4.349504595905609e+17,3.17,1.1537315878891892,125.2,Unknown,Enzyme,0,0.1860164405739008,0.12338618257702982,9.95,9.770000215742746,9.76999918290132,9.769998955718755,9.770000517419945,9.770001449333883,9.769998865144787,9.77000021840456,9.770001500995026,9.770001414138704,9.770000743516015,0.09,1.078713734813921e-07,-4.0854934064478507e-07,-5.221406221048657e-07,2.58709971914673e-07,7.246669403745454e-07,-5.674276075761822e-07,1.0920227952179427e-07,7.50497511585725e-07,7.070693515495373e-07,3.7175800761524853e-07,0.54,0.6299998921286265,0.6300004085493406,0.630000522140622,0.629999741290028,0.6299992753330595,0.6300005674276075,0.6299998907977205,0.6299992495024883,0.6299992929306483,0.6299996282419922,third
+271,6.28,98,1.251495391573709e+17,1.11,0.10436001532424286,116.6,Unknown,Base,1,0.016123807957759303,0.013997813839991852,6.05,6.0140531134201725,5.9789620965811,5.944706573111488,5.911266643861009,5.878622874463826,5.8467563374334715,5.815648539813419,5.785281410776993,5.755637301627364,5.726698985797554,4.61,4.61,4.61,4.61,4.61,4.61,4.61,4.61,4.61,4.61,4.61,3.72,3.7559468865798276,3.791037903418901,3.825293426888512,3.858733356138991,3.891377125536174,3.923243662566529,3.954351460186581,3.9847185892230077,4.014362698372636,4.043301014202447,first
+277,3.39,97,1.492599494568976e+17,3.72,1.3137236682850553,92.8,Branched,None,1,0.07616054002377966,0.06407355741861509,8.67,1.8340739587936223,1.5498154055069,1.480956232269111,1.461638130118783,1.4553375204575563,1.4537857418532618,1.4531001979702218,1.4532150847350669,1.4529412463392244,1.4530507855808987,2.81,2.81,2.81,2.81,2.81,2.81,2.81,2.81,2.81,2.81,2.81,1.24,3.518642013735459,3.6133948648310326,3.636347922576962,3.642787289960405,3.6448874931808137,3.645404752715579,3.6456332673432588,3.645594971754977,3.6456862512202575,3.6456497381396997,third
+271,6.29,94,2.3425328285129508e+16,3.79,1.332366019094335,138.6,Branched,Acid,0,0.017813238814492826,0.009225462675934009,9.73,9.592325053590578,9.456598143359319,9.322791694158463,9.19087852858091,9.060831881444159,8.932625350979489,8.806232897613752,8.681628843969367,8.558787874864338,8.437685037312232,3.41,3.41,3.41,3.41,3.41,3.41,3.41,3.41,3.41,3.41,3.41,1.09,1.2276749464094219,1.3634018566406827,1.497208305841538,1.62912147141909,1.75916811855584,1.88737464902051,2.0137671023862485,2.1383711560306318,2.2612121251356614,2.3823149626877673,first
+276,7.69,92,3.474247246182662e+17,2.61,0.959350221334602,141.7,Linear,None,0,1.3448851512440705,0.7216125073743955,6.63,5.554091879004742,4.478183758009487,3.40227563701423,2.3263675160189736,1.250459395023717,0.1745512740284587,-0.9013568469667961,-1.9772649679620535,-3.053173088957312,-4.129081209952568,4.01,4.01,4.01,4.01,4.01,4.01,4.01,4.01,4.01,4.01,4.01,1.29,2.3659081209952566,3.4418162419905127,4.51772436298577,5.593632483981025,6.669540604976282,7.74544872597154,8.821356846966795,9.897264967962053,10.973173088957312,12.049081209952568,zero
+274,6.77,90,3.56540368063692e+17,0.66,-0.4155154439616658,151.6,Ring,Acid,0,2.47813823556829,2.213603510957688,9.19,7.207489411545367,5.224978823090737,3.242468234636104,1.2599576461814728,-0.7225529422731602,-2.705063530727795,-4.687574119182429,-6.670084707637061,-8.65259529609169,-10.635105884546322,4.86,4.86,4.86,4.86,4.86,4.86,4.86,4.86,4.86,4.86,4.86,0.61,2.5925105884546324,4.575021176909264,6.557531765363897,8.540042353818528,10.522552942273162,12.505063530727796,14.48757411918243,16.470084707637064,18.45259529609169,20.435105884546324,zero
+280,12.93,96,2.9635254139461856e+17,4.01,1.3887912413184778,92.8,Unknown,Enzyme,0,0.36487356782202457,0.2770208377443482,8.75,8.47000027682816,8.469999182889026,8.470001457899448,8.470000161301096,8.469997278950336,8.470000686601567,8.470000032774292,8.46999835793188,8.470001041812331,8.470000728468586,0.14,1.384140786630638e-07,-4.08555486792345e-07,7.289497239786549e-07,8.065054729593764e-08,-1.3605248323976555e-06,3.4330078385742196e-07,1.6387146356316612e-08,-8.210340606151228e-07,5.209061656047034e-07,3.642342929722709e-07,1.0,1.139999861585922,1.1400004085554873,1.1399992710502767,1.1399999193494532,1.1400013605248331,1.1399996566992165,1.139999983612854,1.140000821034061,1.1399994790938346,1.1399996357657072,third
+275,5.59,94,2.617853220412034e+17,3.71,1.3110318766193438,178.4,Unknown,Acid,1,0.36521680757756564,0.2390363911180761,1.56,0.9948918155048425,0.9713193863630154,0.97008120852633,0.9697030474579524,0.9694579314430033,0.9706019889928935,0.9716072111243005,0.970569891600146,0.9702199025478563,0.9701154668882394,2.42,2.1374459077524213,2.125659693181508,2.125040604263165,2.1248515237289762,2.1247289657215016,2.1253009944964467,2.1258036055621505,2.125284945800073,2.1251099512739287,2.12505773344412,2.76,3.0425540922475784,3.054340306818492,3.0549593957368346,3.0551484762710235,3.055271034278498,3.054699005503553,3.054196394437849,3.0547150541999266,3.054890048726071,3.0549422665558796,third
+274,5.33,96,3.81553207822435e+16,2.15,0.7654678421395714,193.2,Unknown,Acid,1,0.019041729168488123,0.011558068419406497,7.91,6.45027671638919,5.480924526188671,4.791814926203884,4.288425300584903,3.903219264411096,3.599250957778658,3.3591622930018485,3.166829156381575,3.0085324648411733,2.877133116049232,1.29,1.29,1.29,1.29,1.29,1.29,1.29,1.29,1.29,1.29,1.29,4.66,5.389861641805404,5.874537736905664,6.219092536898057,6.470787349707548,6.663390367794451,6.8153745211106695,6.935418853499074,7.031585421809211,7.110733767579412,7.176433441975383,second
+274,9.08,92,2.0976309196832296e+16,1.25,0.22314355131420976,65.8,Unknown,Enzyme,1,0.06059787305286537,0.04142151122653631,1.55,1.59984608010167,1.6351868258655204,1.660075225726911,1.67807673499534,1.6905148975326987,1.6985240965194919,1.7037839045154977,1.7079693955816584,1.710932886808964,1.7129809762321686,0.98,0.98,0.98,0.98,0.98,0.98,0.98,0.98,0.98,0.98,0.98,4.4,4.3750769599491655,4.35740658706724,4.344962387136545,4.33596163250233,4.329742551233651,4.325737951740255,4.323108047742251,4.3210153022091715,4.319533556595518,4.318509511883916,second
+273,5.81,96,3.9894243133371955e+17,1.51,0.412109650826833,67.9,Linear,None,0,0.1706167896464658,0.1402903812331974,3.67,3.201750497129306,2.7932475506464236,2.4363551877298404,2.124489588981228,1.852703899169219,1.6162866262592546,1.4107545215774893,1.231852579810791,1.0755540390067413,0.938418132262168,4.93,4.93,4.93,4.93,4.93,4.93,4.93,4.93,4.93,4.93,4.93,4.88,5.3482495028706944,5.756752449353576,6.113644812270159,6.425510411018772,6.697296100830781,6.933713373740745,7.13924547842251,7.3181474201892085,7.4744459609932585,7.611581867737832,first
+276,4.04,91,1.659034382645278e+17,1.59,0.4637340162321402,179.1,Linear,Acid,0,0.9929848916859159,0.8810603689416608,4.29,1.7694637605969643,1.7154902225650321,1.7105374594665104,1.7100530176935338,1.7100052206202998,1.7100003970406978,1.7100001697917935,1.7100003037643574,1.709998626957145,1.7100018329177769,1.29,0.02973188029848192,0.0027451112825159513,0.0002687297332550652,2.650884676684237e-05,2.6103101499207e-06,1.9852034882549184e-07,8.489589666867151e-08,1.518821786404049e-07,-6.865214274403468e-07,9.164588884172895e-07,2.15,3.4102681197015174,3.4372548887174834,3.439731270266744,3.439973491153233,3.4399973896898497,3.439999801479651,3.439999915104103,3.439999848117821,3.440000686521427,3.4399990835411116,third
+276,3.68,95,4.203468513530253e+17,2.88,1.0577902941478545,162.2,Unknown,Acid,0,0.4401938219589015,0.30881531586126454,9.92,6.975141585677849,4.904722551656976,3.4450850728583537,2.4252782214551374,1.707235617475871,1.1994971236550267,0.8446801919932534,0.5940864731971861,0.4176657100832228,0.29402449385572266,2.9,2.9,2.9,2.9,2.9,2.9,2.9,2.9,2.9,2.9,2.9,3.74,3.74,3.74,3.74,3.74,3.74,3.74,3.74,3.74,3.74,3.74,first
+274,3.03,94,9.74753623167429e+16,2.95,1.0818051703517284,187.5,Branched,Enzyme,0,0.11704009024428041,0.06200633787009086,8.41,8.316367927804576,8.222735855609152,8.129103783413727,8.035471711218305,7.94183963902288,7.848207566827456,7.754575494632031,7.660943422436607,7.567311350241183,7.473679278045759,1.66,1.66,1.66,1.66,1.66,1.66,1.66,1.66,1.66,1.66,1.66,4.93,5.023632072195424,5.117264144390848,5.2108962165862724,5.304528288781698,5.398160360977122,5.491792433172546,5.58542450536797,5.6790565775633945,5.772688649758819,5.866320721954243,zero
+278,10.3,98,1.2430610383907226e+17,2.36,0.8586616190375187,122.9,Unknown,None,1,0.04788255681448468,0.02571644712762346,9.74,4.738408030379085,4.075113670915731,3.837424035099217,3.7337916756948193,3.685500811042273,3.6618715398641237,3.6502890436006123,3.644492546371708,3.6417496915984118,3.6402510703176656,3.35,0.8492040151895426,0.5175568354578655,0.39871201754960833,0.3468958378474096,0.3227504055211366,0.310935769932062,0.30514452180030627,0.30224627318585395,0.3008748457992059,0.3001255351588328,4.33,6.8307959848104565,7.162443164542134,7.281287982450391,7.3331041621525905,7.357249594478863,7.369064230067938,7.374855478199693,7.377753726814146,7.379125154200794,7.3798744648411665,third
+270,1.96,100,2.2924416921069e+16,0.58,-0.5447271754416722,130.5,Linear,None,0,0.0010314225108317846,0.0008133946800723148,8.35,8.343112939406131,8.336231559243831,8.329355854827899,8.322485821476992,8.315621454513627,8.308762749264178,8.301909701058877,8.29506230523181,8.288220557120907,8.281384452067943,2.76,2.76,2.76,2.76,2.76,2.76,2.76,2.76,2.76,2.76,2.76,1.75,1.75,1.75,1.75,1.75,1.75,1.75,1.75,1.75,1.75,1.75,first
+272,4.28,100,1.784674302337709e+17,0.64,-0.4462871026284195,183.0,Unknown,Base,0,0.011141755237237401,0.009920124913848928,6.62,6.561255460087261,6.503032207346468,6.445325615994165,6.388131100950867,6.3314441178966225,6.2752601640656716,6.219574775928619,6.164383529036307,6.10968203801982,6.055465956590477,4.82,4.82,4.82,4.82,4.82,4.82,4.82,4.82,4.82,4.82,4.82,4.64,4.698744539912739,4.756967792653532,4.814674384005834,4.871868899049133,4.928555882103377,4.984739835934328,5.040425224071381,5.095616470963693,5.15031796198018,5.204534043409523,first
+270,6.55,97,4.961111977183917e+17,0.85,-0.16251892949777494,28.3,Linear,Acid,1,0.08494213795256773,0.050419101303341776,2.51,1.3991372311282002,1.1430718429765891,1.036370385119618,0.9830478092519963,0.955369003005213,0.9396020244812525,0.9313323176997588,0.9262223985541417,0.9233858327380248,0.9218907980239299,2.85,2.85,2.85,2.85,2.85,2.85,2.85,2.85,2.85,2.85,2.85,0.78,1.1502875896239333,1.2356427190078036,1.271209871626794,1.288984063582668,1.2982103323315957,1.3034659918395826,1.3062225607667473,1.3079258671486194,1.3088713890873251,1.3093697339920234,third
+279,8.22,90,1.512636241146667e+17,1.63,0.4885800148186709,161.9,Branched,Acid,1,2.134234123830268,1.52690121083282,1.51,0.6013481444977575,0.6011182661088784,0.6014453616637911,0.6015923645816195,0.6007142580185967,0.6005479060493787,0.601321012481026,0.6012034222057012,0.6009856501213764,0.6010438968252728,3.92,3.011348144497758,3.011118266108879,3.0114453616637915,3.01159236458162,3.0107142580185973,3.010547906049379,3.011321012481026,3.011203422205701,3.0109856501213765,3.0110438968252726,1.62,2.5286518555022424,2.5288817338911214,2.528554638336209,2.5284076354183807,2.529285741981403,2.5294520939506215,2.5286789875189744,2.5287965777942993,2.529014349878624,2.528956103174728,second
+274,6.15,98,4.79807105774323e+17,3.18,1.1568811967920856,37.0,Linear,Acid,0,0.09952436952271165,0.061206726768463636,4.32,4.240380504381831,4.160761008763661,4.081141513145492,4.001522017527322,3.921902521909153,3.8422830262909837,3.7626635306728144,3.683044035054645,3.6034245394364754,3.523805043818306,2.72,2.72,2.72,2.72,2.72,2.72,2.72,2.72,2.72,2.72,2.72,3.75,3.8296194956181693,3.9092389912363386,3.988858486854508,4.068477982472677,4.148097478090847,4.227716973709016,4.307336469327185,4.386955964945355,4.466575460563524,4.546194956181694,zero
+278,3.91,96,7.82105451471738e+16,3.01,1.1019400787607843,156.1,Ring,None,0,0.07157354706520212,0.047804698972807855,1.95,1.5939763174636772,1.3481291551562138,1.1673659067010604,1.030668931306832,0.9228884661020382,0.8344492081083755,0.7616414957657691,0.7009555995708685,0.6493840505269592,0.6045376120069937,1.11,1.11,1.11,1.11,1.11,1.11,1.11,1.11,1.11,1.11,1.11,0.93,1.1080118412681614,1.2309354224218931,1.32131704664947,1.389665534346584,1.443555766948981,1.4877753959458124,1.5241792521171156,1.5545222002145658,1.5803079747365205,1.6027311939965032,second
+271,7.69,95,1.5675557458435888e+17,2.16,0.7701082216960737,73.0,Branched,Acid,0,0.07647605699205909,0.05144609968296131,4.04,3.940781957622181,3.9037853401949283,3.8894084138809455,3.883737464302613,3.881487007323674,3.880591855798311,3.8802356594163308,3.88009432289184,3.8800378350849267,3.880015196997545,0.08,0.03039097881109047,0.011892670097464114,0.0047042069404728565,0.0018687321513063885,0.0007435036618369206,0.0002959278991552747,0.00011782970816515641,4.7161445919852467e-05,1.89175424630752e-05,7.598498772349724e-06,2.24,2.2896090211889097,2.3081073299025356,2.3152957930595273,2.318131267848694,2.3192564963381637,2.319704072100845,2.319882170291835,2.3199528385540806,2.3199810824575375,2.319992401501228,third
+274,12.46,92,3.9746813131180646e+17,0.57,-0.5621189181535413,78.0,Linear,None,0,1.14823456966537,0.8012261275973944,9.85,3.9309089384762395,1.570680768177674,0.6272807429479021,0.25054477323010593,0.10007868819879538,0.039979055769526164,0.015971888745314543,0.0063813387728678,0.0025497991982834675,0.001019551876693938,2.09,2.09,2.09,2.09,2.09,2.09,2.09,2.09,2.09,2.09,2.09,3.3,3.3,3.3,3.3,3.3,3.3,3.3,3.3,3.3,3.3,3.3,first
+280,4.53,97,3.015984874227397e+17,3.22,1.169381359556317,60.9,Ring,Enzyme,0,0.24165950584213064,0.19687813064570261,8.35,6.882147925935934,5.6723719224374305,4.673094045394234,3.8488139860741493,3.1721242245990995,2.6172969661093823,2.1602783630369644,1.7807656013192024,1.467726011348963,1.2097538691456924,4.9,4.9,4.9,4.9,4.9,4.9,4.9,4.9,4.9,4.9,4.9,2.79,2.79,2.79,2.79,2.79,2.79,2.79,2.79,2.79,2.79,2.79,first
+270,2.72,95,3.9210383100239846e+17,0.67,-0.40047756659712525,178.7,Branched,Enzyme,1,0.16363736499606163,0.1412140230761788,8.22,3.0192687099630913,2.3061243970049126,2.1224388869095994,2.0691575625173035,2.0526692145660417,2.0473173570267007,2.0463565517764386,2.04525146653512,2.0454381625721987,2.045623368215266,4.23,4.23,4.23,4.23,4.23,4.23,4.23,4.23,4.23,4.23,4.23,1.76,4.3603656450184545,4.7169378014975445,4.808780556545201,4.835421218741349,4.8436653927169795,4.84634132148665,4.8468217241117815,4.84737426673244,4.847280918713901,4.847188315892367,second
+272,13.52,96,7.1606093043575624e+16,2.38,0.8671004876833833,58.1,Unknown,None,0,0.02621373085822399,0.021603830363635133,5.81,4.671270990894835,3.9073763308598592,3.355799408469969,2.9449028438067755,2.6237829413886438,2.362913119322757,2.150068515296921,1.9737628958764954,1.8242343368288145,1.6946360447822697,2.82,2.82,2.82,2.82,2.82,2.82,2.82,2.82,2.82,2.82,2.82,4.33,4.899364504552582,5.2813118345700705,5.557100295765016,5.762548578096613,5.923108529305678,6.053543440338622,6.15996574235154,6.248118552061753,6.322882831585593,6.3876819776088665,second
+280,4.1,94,4.513407860287207e+17,4.54,1.5129270120532565,198.3,Unknown,None,0,1.3120680955715571,0.7070720340656423,5.35,3.1100342289702034,3.1099978062478777,3.109998960841881,3.1099997638044607,3.1099993117426132,3.1099986940836764,3.110000601419574,3.110000928087937,3.1100013719135604,3.1100009920636134,1.12,1.7114485102309365e-05,-1.0968760604598506e-06,-5.19579058751229e-07,-1.1809776909483406e-07,-3.4412869298484957e-07,-6.529581612302951e-07,3.0070978748414986e-07,4.6404396910770105e-07,6.859567808028126e-07,4.960318072335207e-07,2.22,3.3399828855148983,3.340001096876061,3.340000519579059,3.340000118097769,3.3400003441286934,3.3400006529581616,3.3399996992902135,3.3399995359560313,3.3399993140432196,3.339999503968193,third
+276,1.56,97,4.3972449870004845e+17,3.62,1.2864740258376797,36.6,Unknown,Acid,1,0.19261550868967597,0.16283428821734253,2.43,2.0755693656082568,1.9129002598053404,1.8310904442226865,1.789084811842543,1.7682182568898426,1.7568137693910881,1.7512086080067955,1.748361612549132,1.7466780651950162,1.7458650030616438,2.33,1.9755693656082567,1.8129002598053403,1.7310904442226864,1.689084811842543,1.6682182568898425,1.656813769391088,1.6512086080067954,1.6483616125491318,1.6466780651950161,1.6458650030616437,2.71,3.0644306343917433,3.2270997401946593,3.3089095557773134,3.350915188157457,3.3717817431101573,3.383186230608912,3.388791391993205,3.391638387450868,3.393321934804984,3.394134996938356,second
+280,10.86,97,1.1856497078594027e+17,2.99,1.095273387402595,166.7,Linear,Enzyme,1,0.09500164438873997,0.05916721624528094,7.37,3.4738671177665057,3.0440081617642156,2.911272668341642,2.8627632854896383,2.843733810255589,2.8362201525868715,2.833365391957811,2.8320370779444564,2.8316076480564694,2.8314814533706536,2.57,0.621933558883253,0.40700408088210777,0.3406363341708209,0.3163816427448191,0.3068669051277946,0.3031100762934356,0.3016826959789052,0.30101853897222824,0.3008038240282347,0.30074072668532686,1.6,3.548066441116747,3.7629959191178926,3.829363665829179,3.8536183572551814,3.8631330948722056,3.866889923706565,3.868317304021095,3.868981461027772,3.8691961759717657,3.8692592733146736,third
+273,9.84,95,1.1119113978594266e+17,1.67,0.5128236264286637,140.3,Linear,Base,0,0.0738795609829813,0.050470718259103424,4.2,2.8113856086658,2.117694054330604,1.695595807758812,1.4119397684831896,1.2117243835162506,1.0602472853378382,0.9419819707706955,0.8482995122557655,0.7717246748668658,0.7072243146597348,4.75,4.75,4.75,4.75,4.75,4.75,4.75,4.75,4.75,4.75,4.75,3.49,4.184307195667101,4.531152972834698,4.742202096120594,4.884030115758406,4.984137808241876,5.059876357331082,5.119009014614654,5.165850243872118,5.204137662566568,5.236387842670133,second
+274,13.43,99,2.6363728861826816e+17,4.74,1.556037135706985,190.9,Ring,None,1,0.035255375005197404,0.02933642890573874,5.66,5.398213483671398,5.191844278039482,5.026715606231793,4.893713316367212,4.786745645799913,4.700152615058842,4.628681656714631,4.569013292002789,4.519710466442161,4.478849084677146,2.44,2.1782134836713976,1.9718442780394814,1.8067156062317924,1.6737133163672115,1.5667456457999127,1.4801526150588415,1.4086816567146312,1.3490132920027886,1.2997104664421608,1.258849084677145,4.01,4.271786516328602,4.478155721960518,4.643284393768207,4.7762866836327875,4.883254354200087,4.969847384941158,5.0413183432853685,5.100986707997211,5.150289533557839,5.191150915322854,second
+280,4.49,98,2.9202443379241548e+16,3.62,1.2864740258376797,21.8,Ring,Base,0,0.015227720295223717,0.008614787257377307,1.75,1.7288105205926285,1.7078776092238355,1.6871981593355452,1.6667691016707504,1.6465874038692636,1.62665007195619,1.6069541474958495,1.5874967071825774,1.5682748628407255,1.549285761424661,1.73,1.73,1.73,1.73,1.73,1.73,1.73,1.73,1.73,1.73,1.73,4.29,4.29,4.29,4.29,4.29,4.29,4.29,4.29,4.29,4.29,4.29,first
+275,4.56,92,3.592327679992426e+17,2.5,0.9162907318741551,22.9,Branched,Base,0,1.2019417460535993,0.666285412457779,7.41,6.44844660315712,5.486893206314242,4.525339809471362,3.563786412628482,2.6022330157856026,1.6406796189427215,0.6791262220998409,-0.2824271747430398,-1.243980571585924,-2.2055339684288056,3.73,3.73,3.73,3.73,3.73,3.73,3.73,3.73,3.73,3.73,3.73,0.26,1.2215533968428804,2.183106793685759,3.144660190528639,4.106213587371519,5.067766984214398,6.029320381057279,6.99087377790016,7.952427174743041,8.913980571585924,9.875533968428806,zero
+275,3.11,97,1.1065543892317168e+17,3.39,1.220829921392359,133.4,Branched,None,1,0.04156475370350258,0.024041028014072978,7.02,3.8786467831026314,3.163881853859628,2.8436354668186192,2.6699481152106572,2.565870840950034,2.5018262524455075,2.460307329282811,2.4330697349565154,2.4156542338787945,2.4037280475864873,2.91,1.3393233915513156,0.9819409269298138,0.8218177334093095,0.7349740576053285,0.6829354204750171,0.6509131262227537,0.6301536646414054,0.6165348674782578,0.6078271169393972,0.6018640237932437,3.45,5.020676608448685,5.378059073070187,5.538182266590692,5.6250259423946725,5.677064579524984,5.709086873777247,5.729846335358595,5.7434651325217425,5.752172883060603,5.7581359762067565,third
+273,6.62,91,4.3413958257005146e+17,4.77,1.5623463049002497,186.0,Unknown,None,1,1.6805593752928425,1.3496249033892946,1.8,0.8334541635626643,0.832754139166498,0.834053919902025,0.832487831291085,0.8339709870264688,0.83284243493221,0.834341460462879,0.8329600017669471,0.834619792860818,0.8334101589682501,2.65,2.166727081781332,2.166377069583249,2.1670269599510124,2.166243915645542,2.166985493513234,2.166421217466105,2.1671707302314394,2.166480000883473,2.167309896430408,2.1667050794841236,1.39,1.8732729182186674,1.8736229304167507,1.8729730400489872,1.8737560843544572,1.8730145064867656,1.8735787825338948,1.8728292697685602,1.8735199991165263,1.8726901035695909,1.8732949205158747,third
+276,1.71,100,5.682947299999155e+16,4.47,1.4973884086254774,199.7,Linear,None,1,0.0067343531320835206,0.005021122123975154,6.26,5.503860448054535,5.000636187764491,4.634410859093609,4.357843944696179,4.138722108169271,3.9590764935050093,3.8108131185622844,3.686749776128756,3.580897373050611,3.4888460875178833,2.31,1.931930224027268,1.680318093882246,1.4972054295468045,1.3589219723480896,1.249361054084636,1.1595382467525048,1.0854065592811424,1.0233748880643783,0.9704486865253058,0.9244230437589418,3.03,3.408069775972732,3.659681906117754,3.8427945704531954,3.98107802765191,4.090638945915364,4.180461753247495,4.254593440718858,4.316625111935622,4.369551313474694,4.4155769562410585,third
+280,2.11,90,1.2540828471087046e+17,0.55,-0.5978370007556204,36.6,Branched,Acid,0,2.032423070158015,1.345058495612361,7.96,0.2976192044309778,0.15153003231571383,0.1016466552554775,0.07641797655894778,0.0613106195587407,0.05110452466502931,0.04388932684391389,0.03841435791672734,0.034151485906063775,0.030742459548183013,0.84,0.84,0.84,0.84,0.84,0.84,0.84,0.84,0.84,0.84,0.84,2.93,6.761190397784511,6.834234983842143,6.8591766723722625,6.871791011720527,6.879344690220631,6.884447737667487,6.888055336578044,6.890792821041638,6.892924257046969,6.89462877022591,second
+279,5.48,90,1.4389504224777277e+17,2.29,0.8285518175661483,59.9,Linear,None,1,2.0302680913052207,1.3086235248408593,6.58,2.13201749144945,2.134115358525707,2.1332565156064685,2.134229374873377,2.133966159731756,2.133567183431319,2.134645451865174,2.1334158358315203,2.133923795459808,2.1340837194348556,1.55,1.55,1.55,1.55,1.55,1.55,1.55,1.55,1.55,1.55,1.55,4.84,7.063991254275275,7.062942320737148,7.0633717421967654,7.062885312563311,7.063016920134123,7.063216408284342,7.062677274067415,7.063292082084242,7.063038102270099,7.062958140282575,second
+270,10.18,99,9.942714235562674e+16,0.69,-0.37106368139083207,138.0,Unknown,Enzyme,0,0.006984123040713598,0.004993361236478125,6.8,6.762112314122945,6.724435727765735,6.6869690647520565,6.649711155437032,6.612660836671222,6.575816951838679,6.539178350802361,6.5027438897724865,6.466512431305172,6.430482844302429,0.29,0.29,0.29,0.29,0.29,0.29,0.29,0.29,0.29,0.29,0.29,0.14,0.14,0.14,0.14,0.14,0.14,0.14,0.14,0.14,0.14,0.14,first
+271,9.31,94,1.0169901707191152e+17,2.32,0.8415671856782185,191.8,Ring,Base,0,0.07733462072551388,0.06889925727235437,9.14,1.6191876004369763,1.154526821422207,0.9446148683940648,0.8190736841987876,0.7331842682055842,0.6699610675340091,0.6200965504897933,0.5802033053368896,0.5474387293831322,0.5195024482504381,4.47,4.47,4.47,4.47,4.47,4.47,4.47,4.47,4.47,4.47,4.47,2.69,5.196937466521009,5.351824392859266,5.421795043868646,5.4636421052670725,5.49227191059814,5.513346310821998,5.529967816503404,5.5432655648877045,5.554187090205623,5.563499183916521,third
+276,5.59,96,3.804572341097968e+17,4.62,1.5303947050936475,156.8,Unknown,Acid,1,0.2576791108568232,0.20238755513835885,8.1,7.626278625209787,7.6263920726701615,7.6264193631153585,7.626232177075178,7.626215528381763,7.626325701949457,7.626539708852135,7.626406586362352,7.626301068619756,7.626401387410727,0.3,0.06313931260489354,0.06319603633508039,0.06320968155767887,0.06311608853758904,0.06310776419088131,0.06316285097472808,0.06326985442606667,0.06320329318117468,0.063150534309877,0.06320069370536237,4.44,4.6768606873951075,4.676803963664921,4.676790318442323,4.6768839114624114,4.676892235809119,4.676837149025274,4.676730145573935,4.676796706818828,4.676849465690126,4.676799306294641,third
+272,9.76,91,1.4701203290081824e+17,2.95,1.0818051703517284,94.5,Branched,Enzyme,0,0.4910910378634118,0.3403478639793817,2.58,0.855157843568999,0.5121395385005542,0.36552692400375913,0.2844647947671837,0.23245219874429313,0.19687365823901098,0.17043912385226162,0.15037481991310164,0.1346555155216158,0.12178964325485327,1.88,1.88,1.88,1.88,1.88,1.88,1.88,1.88,1.88,1.88,1.88,4.58,5.442421078215501,5.613930230749723,5.68723653799812,5.7277676026164075,5.753773900627853,5.771563170880494,5.784780438073869,5.794812590043449,5.802672242239192,5.8091051783725725,second
+278,8.74,97,1.859007153467626e+17,1.62,0.4824261492442928,135.6,Unknown,Acid,1,0.11037408437494317,0.05783250325483392,6.25,1.55970930830584,1.350779440932563,1.3063153877601839,1.295255304494239,1.2927696192862068,1.2919159318257616,1.2917039874903544,1.2914725783769583,1.2921131419097425,1.2917743312872103,4.6,4.6,4.6,4.6,4.6,4.6,4.6,4.6,4.6,4.6,4.6,2.46,4.0234302305647205,4.0930735196891455,4.107894870746605,4.111581565168587,4.112410126904598,4.112694689391413,4.112765337503215,4.112842473874347,4.1126289526967525,4.1127418895709305,third
+276,8.69,99,4.129263302433223e+16,2.43,0.8878912573524571,75.5,Unknown,Base,0,0.0075658479870429965,0.0041422928768570086,6.33,6.29180226171702,6.253835023785254,6.216096895276915,6.17858649361949,6.141302444567874,6.104243382348484,6.067407949340415,6.030794796040569,5.99440258106365,5.9582299711421705,0.79,0.79,0.79,0.79,0.79,0.79,0.79,0.79,0.79,0.79,0.79,3.22,3.2581977382829805,3.296164976214746,3.333903104723085,3.3714135063805104,3.408697555432127,3.4457566176515173,3.4825920506595858,3.5192052039594324,3.555597418936351,3.5917700288578303,first
+279,1.93,92,1.5130313485952973e+17,2.64,0.9707789171582248,128.4,Branched,Base,1,0.9013637678739299,0.535419728825339,1.93,1.6959409464383475,1.676183963504735,1.6743284031048897,1.6742681348220378,1.6743673603320366,1.6735701406572392,1.674766523774811,1.6746595112279135,1.6731877058100688,1.6750955016752025,1.34,1.1059409464383476,1.0861839635047352,1.0843284031048899,1.084268134822038,1.0843673603320367,1.0835701406572393,1.0847665237748112,1.0846595112279136,1.083187705810069,1.0850955016752026,2.8,3.0340590535616525,3.053816036495265,3.0556715968951105,3.0557318651779624,3.0556326396679636,3.0564298593427606,3.055233476225189,3.0553404887720865,3.0568122941899314,3.0549044983247975,second
+274,3.55,93,2.0146183442169213e+17,1.99,0.688134638736401,193.6,Ring,Base,0,0.3752120967824515,0.24826594289092305,2.99,0.7241721484164596,0.5200149516253936,0.42654327725020624,0.3705688512179742,0.331747638403883,0.30337734356336526,0.28102053414509565,0.2629357741625827,0.24800639026630408,0.23535183442134652,3.34,3.34,3.34,3.34,3.34,3.34,3.34,3.34,3.34,3.34,3.34,4.65,5.405275950527846,5.473328349458202,5.504485574249931,5.523143716260676,5.536084120532039,5.545540885478879,5.552993155284969,5.559021408612473,5.5639978699112325,5.568216055192885,third
+279,8.36,100,3.4630870784652186e+17,3.7,1.308332819650179,143.8,Ring,Enzyme,0,0.0655683163334087,0.058567501761537716,6.43,1.7204368449152574,1.2387903481147893,1.0179316040886135,0.8848638693233145,0.7925327502157933,0.7243930918005613,0.6717127067000298,0.6285867142064263,0.5928189749390047,0.5625340865123413,1.57,1.57,1.57,1.57,1.57,1.57,1.57,1.57,1.57,1.57,1.57,1.99,3.5598543850282476,3.7204032172950705,3.794022798637129,3.838378710225562,3.869155749928069,3.891868969399813,3.909429097766657,3.923804428597858,3.9357270083536653,3.945821971162553,third
+279,8.97,90,1.5799919596436314e+17,0.65,-0.4307829160924542,150.0,Unknown,Enzyme,1,2.2292687851328123,1.14346880493632,8.69,1.725627611098452,1.7279351934976321,1.7275922368225205,1.7291915208470476,1.7293243655407733,1.727949999366699,1.728264516172415,1.7289738921365572,1.7286485129311286,1.7274333412532552,3.78,3.78,3.78,3.78,3.78,3.78,3.78,3.78,3.78,3.78,3.78,2.33,5.812186194450774,5.811032403251184,5.811203881588739,5.810404239576475,5.8103378172296125,5.81102500031665,5.810867741913793,5.810513053931722,5.8106757435344365,5.811283329373373,second
+270,2.25,95,3.6194874136466874e+17,3.16,1.1505720275988207,71.5,Branched,Acid,0,0.15105268966421578,0.10913912525800026,3.03,1.7551440105692244,1.2334145381013446,0.9503945336152438,0.773612862652488,0.6518783245661196,0.5639293188441725,0.4961122704305079,0.44310549855039755,0.40069693237909865,0.3654787743239481,1.67,1.67,1.67,1.67,1.67,1.67,1.67,1.67,1.67,1.67,1.67,1.12,1.757427994715388,2.018292730949328,2.1598027331923784,2.248193568673756,2.3090608377169404,2.353035340577914,2.3869438647847465,2.4134472507248015,2.434651533810451,2.4522606128380264,second
+278,6.59,95,2.436051491201793e+16,3.98,1.3812818192963463,177.6,Linear,None,1,0.03436171774640421,0.01937071245711643,6.69,6.585227072046196,6.484862497991298,6.388720790205844,6.296623511836202,6.208400841313187,6.1238907685094635,6.0429373251235505,5.965390583918252,5.891106658720651,5.819947704422115,3.18,3.18,3.18,3.18,3.18,3.18,3.18,3.18,3.18,3.18,3.18,4.96,5.064772927953804,5.165137502008703,5.261279209794156,5.353376488163798,5.441599158686813,5.526109231490537,5.60706267487645,5.684609416081749,5.758893341279349,5.830052295577885,first
+277,4.85,99,4.142199306799254e+17,1.92,0.6523251860396901,76.8,Branched,Acid,1,0.08868673764782588,0.07264547046707792,9.0,7.330262732009049,6.560100634219316,6.159698666432147,5.9396771355680436,5.812999103769238,5.740233691617478,5.696695510322487,5.67150843342266,5.656333724283416,5.64725179680098,4.19,2.5202627320090505,1.7501006342193177,1.349698666432148,1.1296771355680444,1.0029991037692387,0.9302336916174783,0.8866955103224885,0.8615084334226605,0.8463337242834165,0.8372517968009797,2.3,3.9697372679909497,4.7398993657806825,5.140301333567852,5.360322864431955,5.487000896230761,5.559766308382521,5.6033044896775115,5.628491566577339,5.6436662757165825,5.652748203199019,second
+275,4.56,99,3.447644852378769e+17,1.95,0.6678293725756554,105.0,Unknown,None,0,0.05399741342862032,0.0398436781462551,6.7,6.416736111197698,6.145448121865233,5.885626278532535,5.636786624628573,5.398469447386974,5.170231687454921,4.951646934244238,4.742305425931386,4.541814049457466,4.349796340528217,0.9,0.9,0.9,0.9,0.9,0.9,0.9,0.9,0.9,0.9,0.9,1.5,1.7832638888023018,2.054551878134768,2.314373721467465,2.5632133753714266,2.801530552613026,3.0297683125450785,3.2483530657557615,3.457694574068613,3.658185950542534,3.8502036594717834,first
+272,3.15,96,3.245888661257831e+16,1.12,0.11332868530700327,91.4,Branched,Acid,1,0.011882627321978657,0.010147078141186306,4.69,4.3303162096447085,4.027829077462813,3.7697668042798758,3.547635814429923,3.3561946803341742,3.190522655149109,3.045991147676452,2.9182637223631716,2.8033492416328643,2.7000581964318138,3.92,3.92,3.92,3.92,3.92,3.92,3.92,3.92,3.92,3.92,3.92,1.53,1.7098418951776457,1.8610854612685936,1.9901165978600626,2.101182092785039,2.1969026598329133,2.279738672425446,2.3520044261617743,2.4158681388184147,2.473325379183568,2.5249709017840933,second
+276,3.3,90,4.697063596768315e+17,3.63,1.2892326482767593,147.5,Ring,Enzyme,0,4.34686819658516,2.8542824447103725,9.53,0.1421357413534972,0.07163418679414259,0.047873614493622686,0.03597337139645061,0.028767253121476138,0.024012820669262896,0.020569567469013318,0.01800529619858835,0.016022401874569978,0.014416577115499485,2.96,2.96,2.96,2.96,2.96,2.96,2.96,2.96,2.96,2.96,2.96,2.36,7.05393212932325,7.089182906602928,7.101063192753188,7.107013314301774,7.110616373439262,7.112993589665368,7.114715216265493,7.115997351900706,7.116988799062715,7.11779171144225,second
+275,5.21,97,3.4484560103857734e+17,1.23,0.20701416938432612,182.8,Branched,None,0,0.12953201950476656,0.0680106709816908,6.9,2.2816860360384807,1.7119852916662834,1.4484688989713042,1.2900244240686802,1.180570881507962,1.1005711130665263,1.0381598083020607,0.9879429733390914,0.9467283876223976,0.9120308466959937,3.18,0.8708430180192398,0.5859926458331413,0.4542344494856516,0.37501221203433965,0.3202854407539806,0.2802855565332627,0.2490799041510298,0.2239714866695452,0.20336419381119833,0.1860154233479963,0.36,2.6691569819807603,2.954007354166859,3.085765550514348,3.16498778796566,3.219714559246019,3.259714443466737,3.29092009584897,3.3160285133304543,3.3366358061888013,3.353984576652003,third
+271,1.83,92,1.1594579728875179e+17,0.98,-0.020202707317519466,195.8,Unknown,Base,1,0.214201070509895,0.1260135019394867,1.47,0.8533036585404158,0.7054244572447566,0.6453453710421584,0.6171975351298211,0.6027336154554952,0.5956078621505281,0.5915674290540204,0.5895928023139541,0.5885934819933722,0.5879632725421076,3.73,3.73,3.73,3.73,3.73,3.73,3.73,3.73,3.73,3.73,3.73,0.05,0.25556544715319474,0.3048585142517478,0.32488487631928054,0.3342674882900597,0.3390887948481683,0.341464045949824,0.3428108569819932,0.34346906589534865,0.3438021726688759,0.3440122424859642,third
+277,3.72,90,4.376752524027029e+17,2.44,0.8919980393051105,21.0,Unknown,Base,1,4.6665437689693565,3.9345571507266572,4.04,3.3233386736405417,3.3222477485911877,3.3232202212344544,3.322317610826846,3.3230588281753497,3.3224173717993155,3.3228769857594505,3.3225378784132396,3.3226892418144383,3.3227725708215705,1.45,0.7333386736405412,0.7322477485911871,0.7332202212344537,0.732317610826845,0.7330588281753486,0.7324173717993143,0.732876985759449,0.7325378784132381,0.7326892418144375,0.7327725708215698,2.17,2.8866613263594583,2.8877522514088123,2.8867797787655456,2.887682389173154,2.8869411718246503,2.8875826282006845,2.8871230142405495,2.8874621215867604,2.8873107581855617,2.8872274291784294,second
+276,5.36,94,3.872314724615037e+17,2.67,0.9820784724121582,153.6,Linear,None,0,0.6270029287033928,0.41141303699385856,8.8,0.8985440425335917,0.47317638647328564,0.3212112629733647,0.24314348485935416,0.19575539420185623,0.16361275637801287,0.14063870930397537,0.12339148280853784,0.10979914446981154,0.0989066757993077,0.52,0.52,0.52,0.52,0.52,0.52,0.52,0.52,0.52,0.52,0.52,2.16,6.110727978733204,6.323411806763357,6.399394368513317,6.438428257570322,6.462122302899071,6.478193621810993,6.489680645348011,6.49830425859573,6.505100427765093,6.510546662100345,second
+278,3.51,94,4.273680390105271e+17,0.59,-0.527632742082372,20.8,Ring,Base,0,0.9291623786287941,0.7759042043975297,4.8,2.2827679322580168,1.0854775667568721,0.516048242834805,0.24564977175476194,0.11701063148784809,0.05567047705632458,0.026466856231157677,0.012597490251244348,0.006001522447604131,0.0028554797178363366,3.29,3.29,3.29,3.29,3.29,3.29,3.29,3.29,3.29,3.29,3.29,0.79,3.307232067741983,4.504522433243128,5.073951757165195,5.344350228245237,5.472989368512152,5.534329522943675,5.563533143768842,5.577402509748755,5.583998477552396,5.5871445202821635,first
+277,12.36,95,2.7172836529286352e+17,4.26,1.449269160281279,139.9,Linear,Enzyme,0,0.33043096391342297,0.21099404964621876,5.55,2.589805181204917,1.8019213697460317,1.4429757722207062,1.240125551124062,1.11269449749245,1.026020939056257,0.9649022038566825,0.9197031364932344,0.8858954086089983,0.8600761777238031,4.79,1.829805181204917,1.041921369746032,0.6829757722207065,0.4801255511240625,0.35269449749245046,0.2660209390562573,0.20490220385668292,0.15970313649323484,0.12589540860899873,0.10007617772380355,3.63,6.590194818795083,7.378078630253968,7.737024227779293,7.939874448875937,8.06730550250755,8.153979060943742,8.215097796143317,8.260296863506767,8.294104591391003,8.319923822276197,second
+272,12.7,93,4.8416377457074874e+17,3.79,1.332366019094335,26.7,Branched,Acid,0,0.6678967196940556,0.5659494285777066,3.04,1.781121250337686,1.044052911132443,0.6119315043174861,0.35891670133453113,0.2105397895709905,0.12337196295001626,0.07242784059305231,0.04241354235311967,0.024908212472074445,0.014598187095015345,0.01,0.01,0.01,0.01,0.01,0.01,0.01,0.01,0.01,0.01,0.01,3.94,3.94,3.94,3.94,3.94,3.94,3.94,3.94,3.94,3.94,3.94,first
+278,1.86,95,2.6317005745473222e+17,2.98,1.091923300517313,40.7,Unknown,Enzyme,0,0.37121445364454336,0.2885370462757185,6.78,6.77133990461314,6.770179711562555,6.770024089968712,6.770003140536733,6.7700003241565,6.769999974226052,6.770000266741126,6.769998865591113,6.7700012428025795,6.770000351473811,0.01,0.0013399046131393946,0.00017971156255436666,2.4089968712004295e-05,3.1405367325961567e-06,3.2415650016506043e-07,-2.577394816177829e-08,2.667411253310565e-07,-1.1344088875546844e-06,1.2428025787946317e-06,3.5147381093147643e-07,0.03,0.038660095386860605,0.03982028843744563,0.039975910031287996,0.039996859463267406,0.03999967584349983,0.040000025773948164,0.03999973325887467,0.040001134408887556,0.03999875719742121,0.03999964852618907,second
+272,8.65,93,1.4730907217017018e+17,1.51,0.412109650826833,60.1,Branched,None,0,0.20321067219632447,0.10310876539848975,6.1,4.077263758356069,3.326956880188824,2.958886688089117,2.7519203962910295,2.6276683084250716,2.5496455005186545,2.4993660285813726,2.4663892559693457,2.4446091841880255,2.4300184248485537,3.7,1.67726375835607,0.9269568801888249,0.5588866880891178,0.3519203962910302,0.22766830842507224,0.14964550051865516,0.09936602858137289,0.06638925596934617,0.04460918418802602,0.030018424848554017,3.22,5.24273624164393,5.993043119811174,6.361113311910881,6.568079603708969,6.692331691574927,6.770354499481344,6.820633971418626,6.853610744030653,6.875390815811973,6.889981575151445,second
+274,4.24,90,3.545295816224077e+17,0.75,-0.2876820724517809,191.9,Branched,Enzyme,0,2.4641622395519884,1.523508217527052,8.52,6.548670208358407,4.577340416716818,2.6060106250752257,0.6346808334336345,-1.3366489582079568,-3.3079787498495534,-5.279308541491146,-7.250638333132743,-9.221968124774339,-11.19329791641594,4.86,4.86,4.86,4.86,4.86,4.86,4.86,4.86,4.86,4.86,4.86,4.6,6.571329791641592,8.542659583283182,10.513989374924773,12.485319166566365,14.456648958207957,16.42797874984955,18.399308541491145,20.370638333132742,22.34196812477434,24.31329791641594,zero
+277,6.26,97,2.1863787852801165e+17,2.86,1.0508216248317612,40.8,Unknown,Base,0,0.11156093083868723,0.08872824628321584,4.23,3.6738176269059855,3.3204469483004697,3.0797870010349073,2.909836292078697,2.7841425176011736,2.690297040836824,2.618917897390411,2.5633894288657464,2.5201138689360176,2.4861031550088466,1.88,1.3238176269059851,0.9704469483004696,0.7297870010349075,0.5598362920786969,0.4341425176011738,0.34029704083682405,0.268917897390411,0.2133894288657462,0.17011386893601738,0.13610315500884632,3.68,4.236182373094015,4.58955305169953,4.830212998965092,5.0001637079213035,5.1258574823988265,5.219702959163176,5.2910821026095896,5.346610571134254,5.3898861310639825,5.4238968449911535,second
+273,2.96,99,1.594658063275447e+17,2.33,0.8458682675776092,112.8,Branched,Enzyme,0,0.018186592862638903,0.015331055443042103,6.53,3.009882640474939,2.2512254372476344,1.875661981581298,1.6418846675853227,1.4776194868879078,1.3541639427342942,1.2583437773367137,1.1798557364350037,1.1141052381427101,1.058251010263185,3.23,3.23,3.23,3.23,3.23,3.23,3.23,3.23,3.23,3.23,3.23,4.09,5.26337245317502,5.516258187584122,5.641446006139567,5.719371777471559,5.7741268377040305,5.815278685755235,5.847218740887762,5.873381421188332,5.89529825395243,5.913916329912271,third
+277,13.87,99,1.000668699267462e+17,3.96,1.3762440252663892,98.0,Ring,Acid,1,0.021424860522440702,0.014512722849327944,3.34,3.2973017159723788,3.2558135331972,3.2155011522798365,3.176331172915222,3.138271288555708,3.101290110499489,3.0653570765879423,3.030442451205626,2.9965173252802804,2.963553616282827,3.67,3.67,3.67,3.67,3.67,3.67,3.67,3.67,3.67,3.67,3.67,1.2,1.2426982840276206,1.2841864668027996,1.3244988477201631,1.3636688270847777,1.4017287114442916,1.4387098895005104,1.4746429234120573,1.5095575487943735,1.5434826747197194,1.5764463837171725,first
+270,1.83,97,2.6283133185910672e+17,3.22,1.169381359556317,81.8,Linear,Base,1,0.045000909779315215,0.03251674384466724,1.08,1.0098328056492083,0.96099515447279,0.9255608204622331,0.8993716915364679,0.8801969872351078,0.8658334363941094,0.8544261095236652,0.8456135578496282,0.8388463671598395,0.8335990067739933,3.0,3.0,3.0,3.0,3.0,3.0,3.0,3.0,3.0,3.0,3.0,0.66,0.6833890647835973,0.6996682818424034,0.7114797265125891,0.7202094361545107,0.7266010042549641,0.7313888545352969,0.735191296825445,0.738128814050124,0.7403845442800535,0.7421336644086689,third
+271,3.42,92,2.0733554733650355e+17,1.79,0.5822156198526637,117.4,Ring,Enzyme,0,0.3830367053635548,0.3423253700131197,3.15,2.3185658903827533,1.7066384782199675,1.254943833676121,0.9239576870599151,0.6814617327622097,0.50133227867311,0.36892790071694853,0.27198782894218215,0.20025348678205995,0.14740583758982345,4.74,4.74,4.74,4.74,4.74,4.74,4.74,4.74,4.74,4.74,4.74,4.77,4.77,4.77,4.77,4.77,4.77,4.77,4.77,4.77,4.77,4.77,first
+276,10.92,93,2.6478014309538656e+17,4.56,1.5173226235262947,51.7,Branched,Enzyme,0,0.6628986151863123,0.4232110873061681,6.82,0.8305021696618142,0.4424290724474917,0.30153327601463137,0.22876163883660305,0.1840781779995131,0.15423293785458908,0.13256560259557082,0.11623144880566917,0.10360518078991174,0.09338654651147532,1.72,1.72,1.72,1.72,1.72,1.72,1.72,1.72,1.72,1.72,1.72,2.1,5.094748915169094,5.2887854637762555,5.359233361992685,5.395619180581699,5.417960911000244,5.432883531072706,5.443717198702215,5.451884275597166,5.458197409605045,5.463306726744263,second
+273,4.33,93,4.105384671096098e+17,3.02,1.1052568313867783,32.0,Ring,Acid,0,0.6584050552018187,0.5659488465120923,3.12,0.7293569867358956,0.4131110527538723,0.288089559602006,0.22123703912617482,0.1796160934807151,0.15109570001750985,0.13036940598655633,0.11478856368090419,0.10242031437395234,0.09244637752101871,0.71,0.71,0.71,0.71,0.71,0.71,0.71,0.71,0.71,0.71,0.71,0.65,1.8453215066320523,2.003444473623064,2.065955220198997,2.0993814804369126,2.1201919532596425,2.1344521499912448,2.144815297006722,2.1526057181595477,2.1587898428130234,2.16377681123949,second
+279,2.22,93,4.3232233658710925e+17,0.92,-0.08338160893905101,83.3,Linear,Acid,0,1.673524794949425,1.2085632673864508,9.01,2.365158922589169,0.620209132060866,0.16304217409510308,0.04276803316144745,0.01122352302306574,0.0029505180996593204,0.0007735108484986559,0.00020297015804975041,5.3385218458982124e-05,1.4114549694632342e-05,1.69,1.69,1.69,1.69,1.69,1.69,1.69,1.69,1.69,1.69,1.69,1.24,1.24,1.24,1.24,1.24,1.24,1.24,1.24,1.24,1.24,1.24,first
+273,6.45,93,2.677730199619376e+17,3.1,1.1314021114911006,192.6,Linear,Acid,0,0.42944358230510465,0.2939468559004011,9.56,6.7803414520696155,4.807443265761196,3.4088833665909086,2.4205032365619523,1.7155185559665966,1.217161805556874,0.8642645496705467,0.6124163099913071,0.43475618287328577,0.3086675681282594,0.35,0.35,0.35,0.35,0.35,0.35,0.35,0.35,0.35,0.35,0.35,2.86,5.6396585479303845,7.612556734238804,9.011116633409092,9.999496763438048,10.704481444033403,11.202838194443125,11.555735450329454,11.807583690008693,11.985243817126713,12.111332431871741,first
+273,12.44,97,3.6077758187284294e+17,2.65,0.9745596399981308,154.3,Linear,Base,0,0.0993135465283807,0.07226718290134829,8.41,1.4311587288182817,1.0191657709424482,0.8342868964287895,0.722806575092932,0.6474560389970339,0.5910561877018059,0.5472418445042841,0.5123044467744856,0.4832106909278954,0.45837350717317554,0.04,0.04,0.04,0.04,0.04,0.04,0.04,0.04,0.04,0.04,0.04,1.67,3.9962804237272396,4.133611409685851,4.195237701190403,4.232397808302356,4.257514653667656,4.276314604099398,4.290919385165239,4.302565184408505,4.312263103024035,4.320542164275609,third
+275,10.68,95,5.8370104691538424e+16,3.33,1.2029723039923526,115.3,Ring,None,1,0.05258294790623842,0.034491775255951,2.17,1.965698744453315,1.8234824149556295,1.7212232677337167,1.6470278397740228,1.593442311444702,1.5532746178459815,1.5223805144653002,1.4992813310599853,1.4821296673317719,1.4690966794768845,0.98,0.98,0.98,0.98,0.98,0.98,0.98,0.98,0.98,0.98,0.98,2.73,2.8321506277733426,2.9032587925221853,2.954388366133142,2.9914860801129888,3.018278844277649,3.038362691077009,3.05380974276735,3.0653593344700076,3.073935166334114,3.080451660261558,second
+272,1.48,98,1.938366209581189e+17,3.46,1.2412685890696329,163.6,Unknown,Base,1,0.029303708188267566,0.023267318229565837,5.1,5.039426502982069,4.9813477167634055,4.9256608971217855,4.872267194771459,4.821072243928953,4.771986034696652,4.724921858937955,4.6797963026944585,4.636529246185965,4.595043863810477,1.68,1.68,1.68,1.68,1.68,1.68,1.68,1.68,1.68,1.68,1.68,3.1,3.1605734970179307,3.2186522832365942,3.274339102878215,3.327732805228541,3.3789277560710476,3.4280139653033483,3.4750781410620455,3.5202036973055413,3.563470753814035,3.6049561361895237,first
+279,7.66,99,4.679861303285032e+16,1.43,0.3576744442718159,197.6,Ring,Enzyme,1,0.01363613511944252,0.009812415041229481,9.82,6.559922632108947,5.4844866390848805,4.92030427449819,4.571388889667223,4.333224171099348,4.1634829193771665,4.035730353089883,3.9384968110170466,3.8632274378704734,3.803264085229598,3.36,1.7299613160544725,1.1922433195424396,0.9101521372490945,0.7356944448336111,0.6166120855496738,0.5317414596885826,0.46786517654494075,0.4192484055085226,0.381613718935236,0.351632042614798,0.65,2.280038683945527,2.8177566804575602,3.0998478627509054,3.274305555166389,3.3933879144503263,3.4782585403114172,3.542134823455059,3.590751594491477,3.628386281064764,3.658367957385202,third
+272,5.66,93,3.385232043227662e+17,4.24,1.4445632692438664,171.7,Branched,Enzyme,1,0.46698772106184766,0.28246772940021275,5.49,4.252983880098391,3.573745737077724,3.2020567340802764,2.9964464421519956,2.885115677506466,2.822502544921835,2.789253270927208,2.7705066016475186,2.7600819997718222,2.7547813253263618,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,1.8,3.037016119901609,3.716254262922277,4.087943265919725,4.293553557848005,4.404884322493535,4.467497455078166,4.500746729072793,4.519493398352482,4.52991800022818,4.53521867467364,first
+278,13.93,94,3.94894709037688e+16,4.3,1.4586150226995167,173.1,Linear,Base,1,0.08585604763681114,0.04976843507134949,4.16,3.5468505055499215,3.155049751973717,2.8902525774528622,2.70522009337395,2.5706895006727453,2.472598972369803,2.399758447621778,2.344456910114272,2.3026676007187445,2.2708651806244586,2.93,2.3168505055499216,1.9250497519737169,1.6602525774528623,1.4752200933739503,1.3406895006727453,1.2425989723698032,1.1697584476217782,1.1144569101142723,1.0726676007187446,1.0408651806244587,1.49,2.103149494450079,2.4949502480262833,2.759747422547138,2.9447799066260503,3.079310499327255,3.1774010276301974,3.250241552378222,3.3055430898857283,3.347332399281256,3.3791348193755417,second
+272,5.35,95,4.8583150404859296e+17,4.91,1.5912739418064292,46.5,Linear,Acid,0,0.276764628324252,0.21351028226946517,8.48,6.795751669353363,5.445518565236596,4.362037238851177,3.4958208827135997,2.803603005994095,2.2472695177922164,1.7999180999304407,1.4422936200680259,1.1568269089890724,0.9276978185638479,1.11,1.11,1.11,1.11,1.11,1.11,1.11,1.11,1.11,1.11,1.11,2.57,4.254248330646638,5.604481434763405,6.687962761148824,7.554179117286401,8.246396994005906,8.802730482207785,9.250081900069562,9.607706379931976,9.89317309101093,10.122302181436154,first
+273,1.58,94,1.3228460202453282e+17,1.46,0.37843643572024505,42.8,Ring,Enzyme,0,0.13655449712198953,0.07556490791636658,5.13,4.599105388219508,4.123154291096665,3.6962821797783967,3.313234638862281,2.9698909775815463,2.6623886078428,2.387084031560472,2.1405528406568104,1.9195897170618856,1.721208432713588,0.18,0.18,0.18,0.18,0.18,0.18,0.18,0.18,0.18,0.18,0.18,1.18,1.18,1.18,1.18,1.18,1.18,1.18,1.18,1.18,1.18,1.18,first
+278,9.18,96,2.1082945253967846e+17,3.3,1.1939224684724346,50.1,Linear,None,0,0.1929383271230754,0.15223011445900758,6.38,1.0292739223887586,0.7317454734529016,0.5989676049230802,0.5189204324581984,0.46472040243873036,0.4240992371303894,0.39284688889085684,0.36776048314326537,0.34670177595037294,0.3288796844940198,2.76,2.76,2.76,2.76,2.76,2.76,2.76,2.76,2.76,2.76,2.76,1.75,3.5335753592037475,3.6327515088490334,3.6770107983589737,3.703693189180601,3.721759865853757,3.7353002542898706,3.7457177037030482,3.7540798389522454,3.7610994080165425,3.7670401051686606,third
+272,3.85,96,3.5036967014567085e+17,2.82,1.0367368849500223,52.7,Branched,Base,1,0.12826417199572865,0.07771491457116525,9.33,3.396258462310295,2.329980784795538,1.9595036355176205,1.804765187613545,1.735911877080387,1.7046607374603249,1.6893214110516785,1.6826346764073514,1.6794016196589676,1.6776955297778111,4.68,4.68,4.68,4.68,4.68,4.68,4.68,4.68,4.68,4.68,4.68,0.81,3.776870768844853,4.310009607602232,4.49524818224119,4.572617406193228,4.607044061459806,4.622669631269837,4.630339294474161,4.633682661796324,4.6352991901705165,4.636152235111094,second
+276,3.96,100,4.683630277411566e+17,1.55,0.4382549309311553,194.0,Branched,Acid,1,0.0555015180735751,0.04327298576819328,8.88,8.652343746524693,8.441984775090793,8.247602685425626,8.067954718620804,7.901955528587008,7.748593935143325,7.60691613462235,7.476025699870186,7.355083580246448,7.243308101624258,3.59,3.59,3.59,3.59,3.59,3.59,3.59,3.59,3.59,3.59,3.59,4.55,4.777656253475307,4.988015224909207,5.182397314574375,5.3620452813791974,5.528044471412992,5.6814060648566755,5.823083865377651,5.953974300129815,6.074916419753553,6.1866918983757415,first
+274,6.65,98,3.2729676027989606e+17,0.96,-0.040821994520255166,79.6,Unknown,None,0,0.06788979012954409,0.05243632737483416,6.33,3.757028574835947,2.6700074829417333,2.0704564594784474,1.691481323393514,1.4293487927650907,1.2388117409489923,1.091483076287778,0.9760762811464823,0.883499357094478,0.8064503012618445,0.07,0.07,0.07,0.07,0.07,0.07,0.07,0.07,0.07,0.07,0.07,1.08,2.3664857125820267,2.9099962585291337,3.2097717702607764,3.399259338303243,3.5303256036174546,3.625594129525504,3.699258461856111,3.756961859426759,3.803250321452761,3.841774849369078,second
+272,2.91,90,2.6152169262746992e+17,2.99,1.095273387402595,42.5,Linear,Acid,0,1.359448930763829,0.9790685239195974,6.92,3.0110803956678387,2.9428510028296286,2.940116992229627,2.9400049834677526,2.940000098553251,2.939999825939564,2.9399991417484883,2.9399996174021377,2.9399997012203647,2.940000334867555,3.98,0.0710803956678395,0.00285100282962928,0.00011699222962765942,4.983467752876246e-06,9.855325122056297e-08,-1.7406043524275488e-07,-8.582515114174694e-07,-3.825978618291414e-07,-2.9877963473880736e-07,3.3486755540931576e-07,0.76,4.668919604332161,4.737148997170371,4.739883007770373,4.739995016532247,4.739999901446748,4.740000174060435,4.740000858251512,4.740000382597862,4.740000298779634,4.739999665132444,second
+272,11.41,90,2.9737790239257165e+17,3.41,1.2267122912954254,97.8,Branched,None,1,1.5458376220294767,1.3212897498609535,7.73,1.7551418973688955,1.7543630833815644,1.7571613845052676,1.7531906661271226,1.756060829940579,1.7548268313793454,1.7541721184827852,1.7564183857643092,1.7536330206362165,1.756581038007271,3.68,3.68,3.68,3.68,3.68,3.68,3.68,3.68,3.68,3.68,3.68,4.33,6.321619367543701,6.321878972206144,6.320946205164909,6.322269777957623,6.321313056686471,6.321724389540215,6.321942627172402,6.321193871411892,6.32212232645459,6.32113965399757,third
+275,12.82,96,1.9756515655839805e+17,4.45,1.4929040961781488,34.9,Ring,Base,0,0.1149248127660615,0.06124266710349007,4.88,4.451340326461398,4.060335124076517,3.703623596539006,3.3781126285428926,3.0812137123066994,2.810505152341639,2.5637079104212535,2.338685605581415,2.133444514120323,1.9461335695985085,1.37,1.37,1.37,1.37,1.37,1.37,1.37,1.37,1.37,1.37,1.37,2.58,2.58,2.58,2.58,2.58,2.58,2.58,2.58,2.58,2.58,2.58,first
+273,2.91,99,6.945589309435725e+16,1.05,0.04879016416943205,151.6,Unknown,None,0,0.00792123451859949,0.00542388246474765,5.81,5.411518508777371,5.064062906069448,4.7580328950035,4.4871818803334795,4.246202642004231,4.030388843668265,3.83563503268576,3.6584366401245587,3.4963375664369125,3.3479803381565088,3.1,3.1,3.1,3.1,3.1,3.1,3.1,3.1,3.1,3.1,3.1,0.29,0.48924074561131425,0.6629685469652757,0.8159835524982499,0.95140905983326,1.0718986789978842,1.1798055781658672,1.27718248365712,1.3657816799377205,1.4468312167815436,1.5210098309217455,second
+280,11.52,100,3.372003936423569e+17,4.19,1.4327007339340465,59.4,Ring,Enzyme,0,0.07447074979876893,0.053248633767856296,7.58,7.141598246594755,6.72855209118733,6.339370086843199,5.972682886877694,5.627216543689514,5.301755168368169,4.995140930693983,4.706274059138089,4.434112840862433,4.177673621719771,2.76,2.76,2.76,2.76,2.76,2.76,2.76,2.76,2.76,2.76,2.76,1.83,2.268401753405245,2.68144790881267,3.070629913156801,3.4373171131223064,3.7827834563104865,4.108244831631831,4.414859069306017,4.703725940861911,4.975887159137567,5.232326378280229,first
+276,2.55,96,2.1620232356456906e+17,4.43,1.4883995840570443,65.2,Branched,Enzyme,0,0.14643123459500226,0.11277912348141234,4.91,1.1609889120052626,0.8332272828488123,0.6832259750516634,0.5932803117613695,0.5312658353579764,0.48579797146612735,0.44983308443416165,0.42091695187899436,0.3971246108559919,0.37692243902706757,4.64,4.64,4.64,4.64,4.64,4.64,4.64,4.64,4.64,4.64,4.64,4.41,5.6596703626649125,5.768924239050396,5.818924674982778,5.84890656274621,5.869578054880674,5.88473400951129,5.896722305188613,5.906361016040335,5.9142917963813355,5.9210258536576434,third
+276,12.99,96,3.0888139094538797e+17,2.92,1.0715836162801904,101.0,Unknown,Acid,1,0.20920165275673722,0.13848458128877275,3.87,2.650953048827444,2.1872361262248057,1.9769322652461867,1.873247486196056,1.8210958134949873,1.7933542536647311,1.7794212788287855,1.7714704623837862,1.7676815584700702,1.7656454828756558,3.48,2.260953048827444,1.797236126224805,1.5869322652461864,1.4832474861960556,1.431095813494987,1.4033542536647308,1.3894212788287852,1.381470462383786,1.37768155847007,1.3756454828756555,1.55,2.7690469511725557,3.2327638737751943,3.4430677347538134,3.546752513803944,3.598904186505013,3.6266457463352686,3.6405787211712144,3.6485295376162137,3.6523184415299297,3.6543545171243443,second
+278,6.09,90,3.578225075196631e+17,1.15,0.13976194237515863,106.2,Ring,Acid,1,4.390984769191249,2.448060271671005,7.42,1.8255823189007798,1.8252786220095627,1.8283592275106944,1.8272870561122603,1.8262521499136695,1.827892705939743,1.8281662495482958,1.8247869811706294,1.827407225039956,1.8290976337053855,3.27,3.27,3.27,3.27,3.27,3.27,3.27,3.27,3.27,3.27,3.27,3.19,5.98720884054961,5.987360688995219,5.985820386244653,5.9863564719438696,5.986873925043165,5.986053647030128,5.985916875225852,5.987606509414685,5.986296387480022,5.985451183147307,second
+271,7.04,90,4.160357803851475e+17,1.17,0.1570037488096647,22.1,Ring,Acid,1,1.867268323130186,0.9971312961266602,6.1,2.679454418120861,2.6762172651302727,2.6756626434785127,2.6755909711219705,2.67609988747987,2.6763725698288225,2.6764403329229376,2.6775865788495077,2.6771196321717383,2.6769172045632454,4.5,1.0794544181208612,1.0762172651302733,1.0756626434785133,1.0755909711219713,1.0760998874798708,1.0763725698288238,1.0764403329229382,1.0775865788495085,1.0771196321717396,1.076917204563247,1.97,5.390545581879138,5.393782734869726,5.394337356521486,5.394409028878028,5.393900112520129,5.3936274301711755,5.393559667077062,5.392413421150492,5.392880367828261,5.393082795436753,second
+279,8.55,95,2.6112674468643196e+16,1.14,0.131028262406404,42.9,Ring,Enzyme,0,0.042679610146336894,0.035230748964568806,9.18,8.491251129810035,8.01051166870671,7.66268652707277,7.4072155399497595,7.214182976063917,7.065951882174272,6.952189713248958,6.863915481819016,6.7944815020070575,6.739929191323396,2.65,1.9612511298100346,1.4805116687067126,1.1326865270727717,0.8772155399497605,0.684182976063918,0.5359518821742736,0.4221897132489593,0.3339154818190179,0.2644815020070594,0.20992919132339838,4.24,4.928748870189965,5.409488331293287,5.757313472927228,6.012784460050239,6.205817023936081,6.354048117825726,6.46781028675104,6.556084518180982,6.625518497992941,6.680070808676602,second
+270,2.57,95,3.919969367733997e+17,2.12,0.7514160886839212,146.2,Ring,None,0,0.16359275464394668,0.11914359880066135,7.06,5.929322079253175,5.474424801840645,5.26563471823877,5.1640381806209374,5.113209786501673,5.087334643111052,5.074051982810121,5.06724598658003,5.063740376392553,5.061928485741049,2.0,0.8693220792531753,0.4144248018406467,0.20563471823877078,0.10403818062093835,0.05320978650167344,0.02733464311105245,0.014051982810121781,0.007245986580030193,0.003740376392553396,0.001928485741049805,3.95,5.080677920746825,5.535575198159354,5.74436528176123,5.845961819379062,5.896790213498327,5.922665356888948,5.935948017189879,5.94275401341997,5.946259623607447,5.948071514258951,second
+276,4.99,94,2.444892936643349e+17,3.95,1.3737155789130306,130.3,Branched,None,1,0.39587563012301796,0.20108983268259906,6.69,1.4193544564882228,1.389871199293331,1.3894250206491332,1.3902043897334615,1.3902073917761786,1.3898328721478292,1.3891624532020315,1.3885295764636783,1.3884852697261993,1.3893352923678375,4.33,1.694677228244111,1.6799355996466652,1.6797125103245663,1.6801021948667303,1.6801036958880888,1.679916436073914,1.679581226601015,1.6792647882318386,1.679242634863099,1.6796676461839184,3.73,6.3653227717558885,6.380064400353334,6.380287489675433,6.379897805133269,6.37989630411191,6.3800835639260844,6.380418773398984,6.380735211768161,6.380757365136899,6.3803323538160805,third
+277,9.06,100,2.4558032975033862e+17,3.83,1.3428648031925547,177.5,Unknown,Base,1,0.03405977289540975,0.024449255952414324,3.49,3.429247829564231,3.377008968105967,3.3319424072912422,3.292850105572111,3.258980783178027,3.229695414455824,3.204383112823366,3.1824611307695467,3.163374859854289,3.1465978307085454,1.45,1.3892478295642303,1.3370089681059663,1.2919424072912415,1.2528501055721106,1.2189807831780266,1.1896954144558236,1.1643831128233657,1.1424611307695463,1.1233748598542883,1.1065978307085447,3.7,3.7607521704357696,3.8129910318940334,3.858057592708758,3.8971498944278893,3.9310192168219733,3.9603045855441765,3.985616887176634,4.007538869230454,4.026625140145711,4.043402169291455,second
+278,4.55,92,1.0947500932217738e+17,1.55,0.4382549309311553,182.3,Linear,Acid,1,0.5654665471943306,0.488713548273549,9.56,7.746088179329184,6.968170291769205,6.63315291392461,6.488854595436733,6.425757895120192,6.400200244123479,6.387620071031866,6.382901005556804,6.381542470730292,6.380141230196074,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,4.2,6.013911820670817,6.791829708230796,7.126847086075391,7.271145404563268,7.3342421048798085,7.359799755876522,7.372379928968135,7.377098994443196,7.378457529269709,7.379858769803927,first
+275,13.47,93,2.5565249005071866e+17,0.77,-0.2613647641344075,73.5,Unknown,Base,1,0.5523400006894975,0.4336864129476344,3.68,1.7188370584227735,1.701594359048659,1.700530749170589,1.700320004827555,1.6999231398274206,1.7005125051664198,1.7020263409431053,1.7017508440676186,1.7006449662789787,1.7013975277622437,1.76,0.7794185292113867,0.7707971795243295,0.7702653745852944,0.7701600024137775,0.7699615699137102,0.7702562525832098,0.7710131704715526,0.7708754220338092,0.7703224831394893,0.7706987638811218,1.85,2.830581470788614,2.8392028204756707,2.839734625414706,2.8398399975862225,2.84003843008629,2.83974374741679,2.8389868295284475,2.839124577966191,2.839677516860511,2.839301236118878,third
+273,11.42,90,4.1730115076850835e+17,4.04,1.3962446919730587,100.2,Ring,Base,0,2.5096701613323456,1.96433363615346,7.96,1.069637772320735,0.14389331515449516,0.019359599796953484,0.0026048020835516194,0.00035056430438473084,4.748732752990568e-05,6.272178554230448e-06,7.557426021422484e-07,1.5579337961544262e-07,1.2982033835192767e-07,3.06,3.06,3.06,3.06,3.06,3.06,3.06,3.06,3.06,3.06,3.06,1.4,8.290362227679266,9.216106684845505,9.340640400203046,9.357395197916448,9.359649435695616,9.359952512672471,9.359993727821447,9.359999244257398,9.359999844206621,9.359999870179664,first
+270,12.35,99,4.245231263539861e+17,2.21,0.7929925155296614,111.9,Ring,Base,0,0.02982004388177868,0.02120159398677086,9.83,6.692371922794446,5.074842484644634,4.084867046612182,3.422277906675988,2.9410050450911953,2.5804481704849582,2.2998706300732685,2.072408519348248,1.8860187196297322,1.7303953545365323,3.39,3.39,3.39,3.39,3.39,3.39,3.39,3.39,3.39,3.39,3.39,0.21,1.7788140386027764,2.5875787576776825,3.0825664766939087,3.4138610466620056,3.654497477454402,3.8347759147575204,3.9750646849633653,4.0887957403258754,4.181990640185133,4.259802322731733,second
+279,1.92,95,4.6508076125902854e+17,2.27,0.8197798314933114,146.2,Linear,Acid,0,0.7601467862256964,0.4019791988875953,3.24,0.5185242733025963,0.36864634095052684,0.30175798343894555,0.2614315921110314,0.23412649747566594,0.21366153334343785,0.19791695912350526,0.18527882015503863,0.17466939977280282,0.16569056716212796,1.87,1.87,1.87,1.87,1.87,1.87,1.87,1.87,1.87,1.87,1.87,4.01,4.917158575565802,4.967117886349825,4.989414005520351,5.00285613596299,5.011957834174778,5.018779488885521,5.024027680292165,5.028240393281654,5.0317768667423985,5.034769810945957,third
+275,5.26,94,4.39752461483961e+17,0.72,-0.3285040669720361,171.5,Unknown,Enzyme,1,0.6134988350579503,0.3735669144610359,8.55,1.8097725812683862,1.7515285018966906,1.7503405736146553,1.7508372394379432,1.7509775908568854,1.7511658119558138,1.7501631391521713,1.7494989088660517,1.7498105824720709,1.7504047589828307,1.27,1.27,1.27,1.27,1.27,1.27,1.27,1.27,1.27,1.27,1.27,1.63,5.000113709365808,5.029235749051655,5.029829713192672,5.029581380281028,5.029511204571557,5.029417094022093,5.029918430423915,5.030250545566974,5.030094708763965,5.029797620508584,second
+278,2.08,98,3.698267439073315e+17,1.36,0.3074846997479607,156.5,Unknown,None,0,0.14245680243975734,0.08480538403125909,4.5,3.9022340938323903,3.564328955076294,3.355137220725051,3.219437582754045,3.1287321303415028,3.0668460604199304,3.0237427537714696,2.9937590878227796,2.972517068307521,2.9574635511245755,1.58,0.9822340938323904,0.6443289550762943,0.4351372207250514,0.2994375827540452,0.20873213034150298,0.14684606041993042,0.10374275377146991,0.07375908782277987,0.052517068307521016,0.037463551124575646,3.73,4.32776590616761,4.665671044923706,4.874862779274949,5.010562417245955,5.101267869658497,5.16315393958007,5.206257246228531,5.23624091217722,5.257482931692479,5.272536448875425,second
+280,6.38,94,2.965542370095242e+17,2.44,0.8919980393051105,179.5,Ring,Enzyme,1,0.8620965909382775,0.5824312410273654,7.27,5.575236974627643,5.040859427508799,4.871786882943646,4.8180180077833645,4.802242660407447,4.796369250069465,4.79511898048203,4.793748561117096,4.795060694314598,4.794419806767052,4.09,4.09,4.09,4.09,4.09,4.09,4.09,4.09,4.09,4.09,4.09,4.62,6.314763025372357,6.849140572491201,7.018213117056354,7.071981992216636,7.087757339592554,7.0936307499305356,7.09488101951797,7.096251438882905,7.094939305685402,7.095580193232949,first
+273,2.08,98,4.980354324562374e+17,4.54,1.5129270120532565,84.8,Ring,Enzyme,0,0.08824428751808727,0.06976840553019599,8.68,1.5167399873769052,1.0811240079325128,0.884562676744896,0.7668119766112487,0.6865215010957406,0.6271857247148662,0.580513718031749,0.5432368718676739,0.5125656561764975,0.486330714636107,3.43,3.43,3.43,3.43,3.43,3.43,3.43,3.43,3.43,3.43,3.43,2.67,5.0577533375410315,5.202958664022496,5.268479107751701,5.307729341129583,5.3344928329680865,5.354271425095045,5.369828760656084,5.382254376044109,5.392478114607834,5.401223095121298,third
+276,1.07,97,7.838886809308067e+16,1.06,0.058268908123975824,43.4,Ring,Base,1,0.034337208292904646,0.021500621815772405,1.89,1.5139887807632173,1.3107450925702602,1.1795012783346495,1.0879242555129485,1.0211059924522403,0.9709648129725192,0.931391597175091,0.8999345920597941,0.8747401478444095,0.8542359372543313,2.31,2.31,2.31,2.31,2.31,2.31,2.31,2.31,2.31,2.31,2.31,0.29,0.41533707307892753,0.48308496914324645,0.5268329072217834,0.5573585814956837,0.5796313358492532,0.5963450623424935,0.6095361342749696,0.6200218026467352,0.6284199507185301,0.6352546875818895,third
+276,2.19,99,2.8887617979997734e+17,3.91,1.3635373739972745,52.3,Ring,Enzyme,1,0.05292937512985523,0.026760206435018228,6.6,6.337866570174841,6.295734989544416,6.288436999798112,6.287163456965554,6.286931806897662,6.286904994087609,6.286899191080825,6.286853616856385,6.286862162358183,6.286984499095337,0.2,0.06893328508742066,0.047867494772208266,0.04421849989905651,0.04358172848277768,0.04346590344883169,0.04345249704380587,0.04344959554041352,0.043426808428193374,0.043431081179092446,0.04349224954766961,3.24,3.3710667149125797,3.392132505227792,3.395781500100944,3.396418271517223,3.3965340965511692,3.3965475029561953,3.3965504044595876,3.3965731915718074,3.3965689188209085,3.3965077504523316,third
+272,12.0,99,3.54060245170356e+17,3.95,1.3737155789130306,126.8,Branched,None,1,0.03439678586114275,0.030944829102823004,3.74,2.0048047742171766,1.4567845303904452,1.1867202895314204,1.0307261082500743,0.9318039558050761,0.8664470537429594,0.8208821901346125,0.7893997512477202,0.7669430380165082,0.7505163646769651,4.89,4.022402387108588,3.748392265195222,3.6133601447657098,3.5353630541250367,3.4859019779025378,3.4532235268714793,3.4304410950673057,3.4146998756238593,3.4034715190082534,3.395258182338482,0.35,1.2175976128914117,1.4916077348047776,1.62663985523429,1.704636945874963,1.754098022097462,1.7867764731285205,1.8095589049326941,1.8253001243761402,1.8365284809917461,1.8447418176615178,third
+274,4.23,95,2.6218278560922205e+17,0.87,-0.13926206733350766,168.6,Unknown,Base,0,0.20295497692207687,0.10207398697466169,1.39,1.2753207984608106,1.1996933978636304,1.1457431156604347,1.1059310649112235,1.07514692028221,1.0507950683052993,1.0313792519653626,1.0156270296952585,1.0025920849564707,0.9917725952894608,0.23,0.17266039923040535,0.13484669893181517,0.10787155783021737,0.08796553245561176,0.07257346014110494,0.06039753415264962,0.05068962598268127,0.04281351484762923,0.0362960424782353,0.03088629764473037,4.13,4.187339600769595,4.225153301068184,4.2521284421697825,4.272034467544388,4.287426539858895,4.29960246584735,4.309310374017318,4.31718648515237,4.323703957521764,4.3291137023552695,third
+275,6.82,96,2.3981403613434477e+17,0.83,-0.18632957819149348,94.8,Branched,Acid,0,0.13950123433464076,0.09800188893334941,4.37,3.853482780318459,3.552754853033652,3.3635015436437024,3.239509329948364,3.155681671642098,3.0982905354624957,3.0580245016622416,3.0298795748574383,3.009930803944118,2.995715654387647,1.41,0.8934827803184582,0.5927548530336508,0.40350154364370167,0.2795093299483634,0.195681671642097,0.13829053546249476,0.09802450166224061,0.06987957485743762,0.04993080394411744,0.035715654387645734,4.59,5.106517219681541,5.407245146966348,5.596498456356297,5.720490670051635,5.804318328357902,5.861709464537505,5.901975498337759,5.930120425142562,5.950069196055882,5.964284345612353,second
+271,9.96,92,3.2841224378815354e+17,3.41,1.2267122912954254,101.6,Linear,Acid,0,0.6067167230976778,0.4910857634345914,3.28,0.5782722001519107,0.41225935346074727,0.3372799444994874,0.2924590573905598,0.26177565382435775,0.23920923969854269,0.2214026889585859,0.20715160329355234,0.19545105905019128,0.18548306358245498,2.31,2.31,2.31,2.31,2.31,2.31,2.31,2.31,2.31,2.31,2.31,1.24,2.1405759332826966,2.195913548846417,2.2209066851668373,2.2358469808698134,2.2460747820585474,2.2535969201004855,2.2595324370138044,2.264282798902149,2.268182980316603,2.271505645472515,third
+277,13.73,92,5.0296173282960376e+16,3.58,1.275362800412609,168.8,Branched,Acid,1,0.22501903594202227,0.1266550742894688,6.1,3.8237862154874938,3.209095543220294,2.9883021050616683,2.901238200412481,2.866146327016672,2.851027308435525,2.845105344459288,2.842259498172009,2.8415583983258306,2.840942487229384,4.7,2.4237862154874947,1.8090955432202953,1.5883021050616692,1.501238200412482,1.4661463270166735,1.4510273084355263,1.4451053444592894,1.4422594981720103,1.4415583983258318,1.4409424872293852,4.01,6.286213784512506,6.900904456779705,7.121697894938332,7.208761799587519,7.2438536729833265,7.258972691564474,7.2648946555407115,7.267740501827991,7.268441601674168,7.269057512770615,second
+271,8.55,96,2.0776356134161357e+17,2.81,1.0331844833456545,111.8,Ring,Acid,1,0.06503051066051878,0.053655016089655616,7.06,6.191101405279746,5.673450121129619,5.344642111634732,5.130177045780082,4.984878273846352,4.887013764535617,4.819081061705283,4.771602248982711,4.739141342942141,4.716353505743429,3.63,2.7611014052797467,2.243450121129619,1.9146421116347323,1.7001770457800818,1.5548782738463514,1.4570137645356165,1.3890810617052831,1.3416022489827106,1.3091413429421417,1.2863535057434288,4.56,5.428898594720253,5.94654987887038,6.275357888365267,6.4898229542199175,6.635121726153647,6.732986235464383,6.800918938294716,6.848397751017289,6.880858657057858,6.90364649425657,second
+276,7.89,93,6.848809788684219e+16,2.71,0.9969486348916096,194.5,Unknown,Acid,0,0.17146552122519546,0.12994723780647383,2.66,1.5455577111739172,1.0863064509861133,0.8368803543676965,0.6815765909661915,0.5741314123780257,0.4967346432987053,0.43711429069877356,0.3902931779060783,0.3528783526547277,0.3219905172384018,3.76,3.76,3.76,3.76,3.76,3.76,3.76,3.76,3.76,3.76,3.76,1.76,2.3172211444130415,2.5468467745069434,2.671559822816152,2.749211704516904,2.802934293810987,2.8416326783506474,2.871442854650613,2.8948534110469604,2.913560823672636,2.929004741380799,second
+272,1.89,100,2.7160242347316365e+17,0.59,-0.527632742082372,61.2,Ring,None,1,0.016956190382831353,0.011944854553055885,4.24,2.7959477001053497,2.2921463495142143,2.0372751827127056,1.8842524023737264,1.7878310752524142,1.7222645457895316,1.676928357264918,1.645973153652319,1.6235000163355164,1.607078859036578,4.29,4.29,4.29,4.29,4.29,4.29,4.29,4.29,4.29,4.29,4.29,4.53,5.01135076663155,5.179284550161929,5.264241605762432,5.3152491992087585,5.347389641582529,5.36924515140349,5.384357214245028,5.394675615449227,5.402166661221495,5.407640380321141,third
+270,13.75,91,8.850456879869046e+16,4.04,1.3962446919730587,79.9,Ring,Enzyme,1,0.21944290822346676,0.13717230910050648,3.46,1.7295186509658633,1.3245872553527784,1.185247020108758,1.1309671222236048,1.1089160996167398,1.1002803446135778,1.0961573778367288,1.0948932723098161,1.094177738569383,1.0938409967044875,1.35,1.35,1.35,1.35,1.35,1.35,1.35,1.35,1.35,1.35,1.35,0.73,1.5952406745170686,1.797706372323611,1.8673764899456213,1.894516438888198,1.9055419501916306,1.9098598276932115,1.911921311081636,1.9125533638450924,1.912911130715309,1.9130795016477566,second
+277,5.56,95,3.354786943958917e+16,2.78,1.0224509277025455,119.8,Ring,Base,0,0.04079535393449868,0.021121972058622682,6.57,2.1402332226745,1.5560454310562606,1.2820894793940298,1.1154752084332167,1.0007208353456094,0.9156945095709021,0.8484247895298647,0.7944651886358554,0.7500487093841258,0.7121213050208991,4.33,4.33,4.33,4.33,4.33,4.33,4.33,4.33,4.33,4.33,4.33,1.19,2.6665889257751667,2.861318189647913,2.9526368402019902,3.0081749305222614,3.0464263882181304,3.0747684968096993,3.0971917368233783,3.115178270454715,3.129983763538625,3.1426262316597002,third
+276,3.99,97,3.786833337475479e+17,2.95,1.0818051703517284,134.1,Branched,Base,1,0.16587723262569778,0.11239509313931251,9.09,4.081204543576221,3.9721438723580107,3.9638447935938688,3.96318451025308,3.9630704929998117,3.963354116639871,3.9631685263032934,3.962944574842293,3.963280716252046,3.9634178498608645,2.74,0.2356022717881106,0.18107193617900547,0.17692239679693447,0.17659225512654,0.1765352464999058,0.17667705831993558,0.1765842631516467,0.17647228742114657,0.17664035812602302,0.1767089249304323,1.53,4.034397728211889,4.088928063820995,4.093077603203065,4.09340774487346,4.093464753500094,4.093322941680064,4.093415736848353,4.093527712578854,4.0933596418739775,4.093291075069568,third
+270,5.34,94,8.17375160543416e+16,2.8,1.0296194171811581,28.9,Branched,None,0,0.05325635570134723,0.03310361168030931,3.15,1.8092707132115486,1.3233988565728265,1.0613658822873708,0.8917512376415829,0.7735486598012425,0.6841295730073758,0.6147713834224124,0.5594694352881675,0.513556977784015,0.47486759842936493,3.19,2.519635356605774,2.276699428286413,2.145682941143685,2.0608756188207913,2.001774329900621,1.9570647865036876,1.922385691711206,1.8947347176440834,1.8717784888920073,1.8524337992146822,1.5,2.170364643394226,2.413300571713587,2.544317058856315,2.6291243811792087,2.6882256700993787,2.7329352134963125,2.767614308288794,2.7952652823559165,2.8182215111079927,2.837566200785318,third
+271,12.03,99,2.2528606754086678e+17,1.56,0.44468582126144574,165.8,Branched,None,0,0.018621642545985452,0.009727331847031208,1.95,1.6843797716525168,1.5052924641443175,1.3722345305600572,1.2698636097170728,1.188410173281251,1.120163957177811,1.0621198693980192,1.012363992246473,0.9690750030347624,0.9308541391912035,1.84,1.84,1.84,1.84,1.84,1.84,1.84,1.84,1.84,1.84,1.84,4.42,4.508540076115828,4.568235845285227,4.612588489813315,4.6467121300943095,4.673863275572916,4.696612014274063,4.715960043533994,4.732545335917843,4.746974998988413,4.759715286936266,third
+270,13.79,100,3.724628651999402e+17,3.15,1.1474024528375417,21.6,Ring,Acid,0,0.01675796531440018,0.013048432206096321,8.71,5.760522496399423,4.759135692535147,4.222717032080088,3.879309888164353,3.637203832717858,3.4564548828564887,3.3170810723945676,3.204815590643878,3.1128944032987973,3.036433004086723,3.12,1.6452612481997106,1.1445678462675728,0.8763585160400429,0.7046549440821754,0.5836019163589281,0.4932274414282433,0.4235405361972827,0.3674077953219382,0.32144720164939766,0.2832165020433606,3.67,5.14473875180029,5.645432153732427,5.913641483959958,6.085345055917825,6.206398083641072,6.296772558571757,6.366459463802717,6.422592204678062,6.468552798350602,6.50678349795664,third
+273,9.0,91,3.76214945255439e+17,3.0,1.0986122886681098,123.3,Ring,None,1,1.4563324303014762,1.2066670694894361,7.59,1.702983921807495,1.7051702945638243,1.7031659407784925,1.7059204254530258,1.7031913886488055,1.7044085680457515,1.7052911371505537,1.702883810341356,1.705977996835951,1.704669490423246,4.09,4.09,4.09,4.09,4.09,4.09,4.09,4.09,4.09,4.09,4.09,4.01,5.972338692730835,5.971609901812059,5.972278019740502,5.971359858182323,5.9722695371170635,5.971863810651415,5.971569620949815,5.972372063219547,5.971340667721349,5.971776836525584,third
+270,2.41,90,1.6696773333387174e+17,2.83,1.0402767116551463,165.8,Linear,None,0,0.6463340383858152,0.4951486271005353,9.64,9.122932769291348,8.605865538582696,8.088798307874043,7.571731077165392,7.054663846456739,6.537596615748086,6.020529385039434,5.503462154330782,4.986394923622129,4.4693276929134775,0.44,0.44,0.44,0.44,0.44,0.44,0.44,0.44,0.44,0.44,0.44,1.99,2.5070672307086523,3.024134461417305,3.541201692125957,4.058268922834609,4.575336153543262,5.092403384251915,5.609470614960567,6.126537845669219,6.643605076377872,7.160672307086523,zero
+274,13.95,90,4.977545881627255e+17,3.62,1.2864740258376797,89.8,Ring,Enzyme,0,3.4596494179734663,2.900106189309538,3.71,0.2333696334500923,0.014702086870233298,0.0009268862242870814,5.8324304372683164e-05,3.568110994323983e-06,3.3040851029636476e-07,3.852372967603815e-08,-1.0955860929285922e-06,7.323962156399331e-07,9.09542111134288e-07,1.01,1.01,1.01,1.01,1.01,1.01,1.01,1.01,1.01,1.01,1.01,1.66,1.66,1.66,1.66,1.66,1.66,1.66,1.66,1.66,1.66,1.66,first
+278,5.05,99,1.0127218747640443e+17,2.46,0.9001613499442714,171.2,Unknown,Enzyme,0,0.025308936391408583,0.01789792238506485,2.15,1.7195670123527707,1.4825481929505182,1.317088116275668,1.1975708134894116,1.1048001297375187,1.031139428139741,0.9711947400252499,0.9204538512954128,0.8764536707140491,0.8382154483067045,1.93,1.93,1.93,1.93,1.93,1.93,1.93,1.93,1.93,1.93,1.93,1.41,1.5534776625490765,1.6324839356831606,1.6876372945747773,1.7274763955035295,1.7583999567541604,1.7829535239534198,1.80293508665825,1.8198487162348624,1.834515443095317,1.8472615172310984,third
+277,12.17,96,4.866826098455271e+17,1.16,0.14842000511827322,33.8,Linear,Enzyme,1,0.38336465619779586,0.26929235948857083,4.98,3.80859878303246,3.113550002561424,2.7013017274621767,2.457090516577958,2.3117454405397644,2.225808595694495,2.1749513820489614,2.144194942540745,2.1268065572660517,2.116054553395546,1.69,1.69,1.69,1.69,1.69,1.69,1.69,1.69,1.69,1.69,1.69,0.11,1.2814012169675406,1.9764499974385767,2.388698272537824,2.6329094834220426,2.7782545594602364,2.864191404305506,2.9150486179510393,2.9458050574592556,2.963193442733949,2.973945446604455,first
+276,13.09,93,4.72971777000154e+17,2.87,1.0543120297715298,132.4,Branched,Enzyme,0,1.1841232968994277,0.7583640887445717,8.16,0.4196213270546337,0.29711094625135664,0.24251438612347842,0.21010307122613428,0.18788102074609683,0.17163878900128854,0.1588193401527267,0.1485385148930517,0.14009817623704215,0.1329360382803503,4.02,4.02,4.02,4.02,4.02,4.02,4.02,4.02,4.02,4.02,4.02,1.51,4.090126224315123,4.130963017916215,4.149161871292174,4.159965642924623,4.167372993084635,4.172787070332904,4.177060219949093,4.180487161702318,4.183300607920987,4.185687987239884,third
+272,12.62,97,3.501624919879142e+17,1.2,0.1823215567939546,192.9,Linear,Acid,0,0.08237632789247233,0.06747948691962516,4.73,4.428336968288216,4.1459131705237695,3.8814965944021664,3.633921955690014,3.4021381358423293,3.1851533148088977,2.982026536384412,2.791867708208467,2.613837601765561,2.4471478523850987,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.68,2.68,2.68,2.68,2.68,2.68,2.68,2.68,2.68,2.68,2.68,first
+277,4.06,100,2.7841430766202534e+17,1.66,0.5068176023684519,99.6,Ring,Enzyme,0,0.03861354897373757,0.020689880857335394,1.34,0.9948518955580861,0.7998935119350254,0.6685939306190474,0.5759416850390303,0.5058745720301584,0.45179441971624357,0.4087085799374775,0.372933810905312,0.3429959606473406,0.3175937365573585,4.28,4.107425947779044,4.009946755967514,3.9442969653095243,3.897970842519516,3.86293728601508,3.8358972098581225,3.8143542899687395,3.796466905452657,3.781497980323671,3.76879686827868,3.32,3.4925740522209567,3.590053244032487,3.655703034690476,3.7020291574804847,3.7370627139849204,3.764102790141878,3.785645710031261,3.8035330945473436,3.8185020196763295,3.8312031317213204,third
+272,7.58,92,2.0606013348563658e+17,3.39,1.220829921392359,118.8,Branched,Acid,1,0.44234085059430145,0.2263906383346375,6.55,1.5700602081919217,1.3340893712312178,1.3048410554604652,1.3010363478547018,1.3007526144026005,1.3005389818081026,1.2994680492994275,1.3007021034450812,1.301273490451321,1.3012487697727788,2.88,2.88,2.88,2.88,2.88,2.88,2.88,2.88,2.88,2.88,2.88,0.68,3.1699698959040394,3.2879553143843916,3.302579472269768,3.3044818260726494,3.3046236927987,3.3047305090959487,3.305265975350286,3.3046489482774595,3.3043632547743393,3.3043756151136106,second
+274,8.19,90,1.5161189477539315e+17,3.77,1.3270750014599193,129.1,Ring,Acid,1,1.0537803487731316,0.8062562547772653,5.09,1.5620680017046846,1.560333807921612,1.559975466110748,1.5613708756855007,1.561545913202775,1.5598900875782957,1.5600013843549811,1.5618303127738595,1.561007163248869,1.5608037329593034,4.26,4.26,4.26,4.26,4.26,4.26,4.26,4.26,4.26,4.26,4.26,3.79,4.965977332765105,4.966555397359462,4.96667484462975,4.966209708104834,4.966151362265744,4.96670330414057,4.966666205215009,4.966056562408716,4.966330945583713,4.966398755680236,third
+273,5.17,93,2.1091450534637466e+17,4.97,1.6034198401085373,178.1,Ring,Acid,1,0.3382561870831166,0.2590788179494437,3.21,2.2042966913661965,1.934075998720668,1.846582445261543,1.816654744061961,1.8063734519199242,1.8023022916424354,1.8013098994149137,1.800512650030195,1.8005987037635756,1.8005246485012099,2.69,1.684296691366197,1.4140759987206684,1.3265824452615433,1.2966547440619614,1.2863734519199246,1.2823022916424358,1.2813098994149141,1.2805126500301953,1.280598703763576,1.2805246485012103,1.6,2.605703308633803,2.8759240012793317,2.9634175547384567,2.9933452559380385,3.0036265480800757,3.0076977083575644,3.008690100585086,3.0094873499698047,3.0094012962364243,3.0094753514987898,second
+274,11.37,100,2.183816032603177e+17,0.82,-0.19845093872383832,137.1,Branched,None,0,0.01882739761617441,0.01603738564452758,6.32,2.948730887332236,2.2085042509103205,1.8413649120115267,1.6119118237802428,1.451315136639003,1.3300099983474452,1.2358692308529342,1.1591129009107575,1.094565606731114,1.0397276872654206,4.27,4.27,4.27,4.27,4.27,4.27,4.27,4.27,4.27,4.27,4.27,4.3,5.423756370889254,5.670498583029893,5.792878362662824,5.869362725406586,5.922894954453666,5.963330000550852,5.994710256382355,6.020295699696414,6.0418114644229615,6.060090770911526,third
+272,13.44,96,1.3795590593751664e+17,1.76,0.5653138090500605,136.9,Unknown,Acid,0,0.05050323003026874,0.0381632451183605,8.16,7.836886155963412,7.526566780731074,7.228535084740605,6.9423020929138,6.667402833406097,6.403390739238427,6.149835073942171,5.906320931559163,5.67244923664169,5.447836744252493,0.76,0.76,0.76,0.76,0.76,0.76,0.76,0.76,0.76,0.76,0.76,4.13,4.13,4.13,4.13,4.13,4.13,4.13,4.13,4.13,4.13,4.13,first
+274,9.76,90,3.8429635301575066e+17,3.92,1.366091653802371,38.3,Branched,Acid,1,2.671056552080678,1.9628250137710834,9.28,1.7483832256307534,1.7483239164028812,1.7479680034473102,1.7472524212023914,1.7466081752337048,1.7461295549055003,1.745760696332056,1.7455012658761246,1.7453822579914493,1.7470407355939217,0.63,0.63,0.63,0.63,0.63,0.63,0.63,0.63,0.63,0.63,0.63,4.74,7.25053892478975,7.250558694532375,7.250677332184231,7.250915859599203,7.251130608255433,7.251290148364834,7.251413101222648,7.251499578041293,7.251539247336185,7.250986421468693,third
+277,2.53,94,4.752294755396171e+17,3.05,1.1151415906193203,196.8,Linear,Base,0,0.8921310375477296,0.7813232286364298,2.6,1.8862951699618162,1.1725903399236328,0.45888550988544885,-0.2548193201527347,-0.9685241501909183,-1.6822289802291026,-2.3959338102672865,-3.1096386403054703,-3.8233434703436524,-4.537048300381836,0.41,0.41,0.41,0.41,0.41,0.41,0.41,0.41,0.41,0.41,0.41,4.58,5.293704830038184,6.007409660076367,6.721114490114551,7.434819320152735,8.148524150190918,8.862228980229101,9.575933810267287,10.28963864030547,11.003343470343651,11.717048300381837,zero
+271,13.73,95,2.703422750573148e+17,1.22,0.19885085874516517,58.3,Linear,Base,1,0.13189139390714244,0.0917452363775148,2.49,2.330749734399758,2.19759178956732,2.0859866701918075,1.9924496322253449,1.9144934898250512,1.8497340715160435,1.7958831038384826,1.7507482113475703,1.7126176059850444,1.6807191912160937,0.31,0.31,0.31,0.31,0.31,0.31,0.31,0.31,0.31,0.31,0.31,1.21,1.3692502656002419,1.50240821043268,1.614013329808193,1.7075503677746553,1.785506510174949,1.8502659284839567,1.9041168961615176,1.9492517886524299,1.9873823940149558,2.0192808087839067,first
+274,8.67,92,1.9469265402108234e+17,3.85,1.3480731482996928,152.1,Unknown,Enzyme,1,0.5624421637757245,0.34855553892137187,8.03,5.830015843134729,5.751762817099186,5.747931187477988,5.7477240473376146,5.747322123298443,5.748188991349929,5.748022047873955,5.747905397810256,5.748132653676167,5.747929250366092,2.69,0.49001584313472846,0.4117628170991862,0.40793118747798846,0.4077240473376148,0.40732212329844286,0.40818899134992853,0.4080220478739543,0.40790539781025564,0.40813265367616647,0.4079292503660919,1.5,3.699984156865271,3.7782371829008135,3.782068812522011,3.7822759526623853,3.7826778767015568,3.781811008650071,3.7819779521260455,3.7820946021897446,3.7818673463238337,3.7820707496339083,second
+273,6.52,98,4.881765213028634e+17,1.31,0.2700271372130602,111.4,Unknown,Acid,0,0.08649743873236346,0.054947613587584966,6.82,3.067988038841737,2.4499782444550564,2.166603159691087,2.0002896725892985,1.8899208548287054,1.812281000450623,1.7547670949768728,1.7107004850385426,1.6765401768279578,1.6494194393115489,2.65,0.7739940194208683,0.46498912222752786,0.3233015798455431,0.24014483629464892,0.18496042741435237,0.1461405002253111,0.11738354748843607,0.09535024251927102,0.07827008841397856,0.06470971965577425,4.55,6.42600598057913,6.735010877772471,6.876698420154455,6.95985516370535,7.015039572585646,7.0538594997746875,7.082616452511563,7.104649757480728,7.12172991158602,7.135290280344224,third
+280,8.56,90,3.8098102950811066e+17,3.92,1.366091653802371,28.4,Linear,None,0,6.17434992791762,3.4276272301958737,3.59,-1.3494799423340988,-6.288959884668193,-11.22843982700229,-16.16791976933639,-21.107399711670485,-26.046879654004588,-30.986359596338687,-35.92583953867279,-40.865319481006885,-45.80479942334098,3.81,3.81,3.81,3.81,3.81,3.81,3.81,3.81,3.81,3.81,3.81,3.99,8.929479942334098,13.868959884668193,18.80843982700229,23.747919769336388,28.687399711670484,33.62687965400458,38.566359596338685,43.50583953867279,48.445319481006884,53.38479942334098,zero
+272,9.35,90,1.8239017467361408e+17,1.43,0.3576744442718159,150.0,Unknown,Acid,0,0.9481053959644964,0.49218153491962696,5.12,4.3615156832284026,3.603031366456806,2.8445470496852088,2.0860627329136108,1.3275784161420137,0.5690940993704148,-0.18939021740118367,-0.9478745341727821,-1.7063588509443814,-2.4648431677159817,4.03,4.03,4.03,4.03,4.03,4.03,4.03,4.03,4.03,4.03,4.03,0.83,1.5884843167715976,2.3469686335431943,3.105452950314792,3.86393726708639,4.622421583857987,5.380905900629585,6.139390217401184,6.897874534172782,7.6563588509443825,8.414843167715983,zero
+270,1.47,94,3.7627821776957734e+17,3.38,1.2178757094949273,25.8,Branched,Acid,1,0.24516534849044017,0.1874800056235973,8.64,2.739602336583489,2.368000853782049,2.318822630857784,2.3120505833372147,2.311515902105542,2.311051931868475,2.3096001686673597,2.310708405570405,2.3131036119059374,2.3119151608561856,2.75,2.75,2.75,2.75,2.75,2.75,2.75,2.75,2.75,2.75,2.75,3.82,6.770198831708257,6.9559995731089765,6.980588684571109,6.983974708331393,6.98424204894723,6.984474034065763,6.985199915666321,6.984645797214799,6.983448194047033,6.984042419571908,second
+273,7.38,99,2.7547970328557732e+16,3.06,1.1184149159642893,194.4,Linear,Base,0,0.0031417626894161155,0.002119506033750906,9.07,9.047231994579324,9.024521142639268,9.001867300710673,8.979270325683668,8.956730074807476,8.93424640568958,8.911819176296385,8.889448244950227,8.867133470328186,8.84487471146209,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,2.27,2.27,2.27,2.27,2.27,2.27,2.27,2.27,2.27,2.27,2.27,first
+278,4.25,90,2.978136473537823e+17,3.59,1.2781522025001875,105.6,Branched,None,0,3.6545917657678113,2.5760102874254187,10.0,7.076326587385751,4.152653174771501,1.228979762157251,-1.6946936504569976,-4.618367063071247,-7.542040475685502,-10.465713888299753,-13.389387300913999,-16.313060713528255,-19.23673412614249,1.16,1.16,1.16,1.16,1.16,1.16,1.16,1.16,1.16,1.16,1.16,0.3,3.2236734126142492,6.147346825228499,9.071020237842749,11.994693650456998,14.918367063071248,17.8420404756855,20.765713888299754,23.689387300914,26.613060713528256,29.53673412614249,zero
+270,10.71,91,2.8726993191275507e+17,4.92,1.5933085305042167,97.5,Ring,Base,1,0.7122722607403406,0.4269393312114373,9.57,5.135461621390951,5.13538155053298,5.135333405873167,5.135277530317708,5.135225542539681,5.13519377993308,5.135191869681966,5.135213557367756,5.135242124356783,5.135372407941191,2.31,0.09273081069547484,0.092690775266489,0.09266670293658259,0.09263876515885305,0.09261277126983952,0.09259688996653924,0.09259593484098216,0.09260677868387697,0.0926210621783906,0.09268620397059432,1.86,4.077269189304527,4.077309224733511,4.077333297063419,4.077361234841148,4.077387228730162,4.077403110033463,4.077404065159018,4.0773932213161235,4.07737893782161,4.077313796029406,third
+277,11.76,97,3.877806290658605e+16,1.1,0.09531017980432493,80.8,Branched,None,0,0.019786675680836575,0.015297530844439543,4.09,3.6210961390096528,3.248721075029966,2.944674709416942,2.6926988863708923,2.4826103521738228,2.304963370778341,2.151025038193896,2.014147710819633,1.8934168298066385,1.786339756436292,1.77,1.77,1.77,1.77,1.77,1.77,1.77,1.77,1.77,1.77,1.77,2.47,2.7044519304951735,2.890639462485017,3.0426626452915295,3.168650556814554,3.2736948239130887,3.36251831461083,3.4394874809030527,3.5079261445901837,3.5682915850966808,3.621830121781854,second
+275,12.47,95,1.2468806844052299e+17,0.74,-0.3011050927839216,54.3,Ring,Base,0,0.11232575720029442,0.0916452117219579,6.74,3.056996131170884,1.9754950967646674,1.4585681697359094,1.157367167391223,0.958011942085097,0.8185729490223029,0.713347049243264,0.6324969162435946,0.5686345309585839,0.5160502246220093,4.33,4.33,4.33,4.33,4.33,4.33,4.33,4.33,4.33,4.33,4.33,3.08,4.921501934414557,5.462252451617666,5.720715915132045,5.8713164163043885,5.970994028957452,6.040713525488848,6.093326475378368,6.133751541878203,6.165682734520709,6.191974887688995,second
+278,10.08,94,1.0842177826760323e+17,1.49,0.3987761199573678,181.3,Ring,Enzyme,1,0.23572524895294852,0.1506736702200702,4.87,4.053785142448105,4.0379953620240965,4.037471195330862,4.037265785676288,4.037367524871101,4.037457153772813,4.037513312249587,4.037560934551339,4.037735084828706,4.037714098594305,0.56,0.1518925712240525,0.14399768101204805,0.143735597665431,0.14363289283814387,0.14368376243555037,0.14372857688640647,0.14375665612479321,0.14378046727566948,0.1438675424143532,0.14385704929715265,3.25,3.6581074287759474,3.666002318987952,3.666264402334569,3.666367107161856,3.6663162375644496,3.6662714231135936,3.6662433438752067,3.6662195327243308,3.666132457585647,3.6661429507028473,third
+274,11.17,92,6.920422706163652e+16,1.72,0.5423242908253617,48.5,Linear,Base,0,0.19992215631699473,0.17970777321778914,6.93,1.0425129402223259,0.6352902019894905,0.4660100947971607,0.37071918194637116,0.3087585679910306,0.2652545788048417,0.23292740673939338,0.20760973478904254,0.18744761127148318,0.17094461767555613,4.99,2.0462564701111634,1.8426451009947458,1.7580050473985809,1.7103595909731861,1.679379283995516,1.6576272894024215,1.6414637033696975,1.6288048673945221,1.6187238056357425,1.6104723088377788,0.32,3.2637435298888366,3.4673548990052545,3.5519949526014196,3.599640409026814,3.6306207160044845,3.652372710597579,3.6685362966303035,3.681195132605479,3.6912761943642587,3.699527691162222,third
+272,4.9,97,2.655945835538907e+17,4.03,1.3937663759585917,55.0,Branched,Enzyme,1,0.06248158212803409,0.041063457010273426,5.86,3.899259238052494,3.048892595740212,2.604646795498058,2.3524113502840702,2.198164376648357,2.103227483025233,2.0425990414361075,2.0028827639743096,1.9781242498429445,1.9616996546999095,4.86,4.86,4.86,4.86,4.86,4.86,4.86,4.86,4.86,4.86,4.86,3.7,4.680370380973754,5.105553702129894,5.327676602250971,5.453794324857966,5.530917811675822,5.578386258487384,5.608700479281946,5.628558618012845,5.640937875078528,5.649150172650046,second
+274,11.3,95,2.2983646743734054e+17,4.17,1.4279160358107101,113.8,Unknown,Acid,0,0.17791578053535018,0.0892944505114936,6.86,1.0705527550844374,0.7617123124892632,0.6231752540208761,0.5406951476640163,0.4835338819234922,0.4417663627478289,0.40924959250121706,0.3827743844897184,0.36088885368805246,0.3423690479242233,0.76,0.76,0.76,0.76,0.76,0.76,0.76,0.76,0.76,0.76,0.76,0.11,2.039815748305188,2.1427625625035795,2.188941581993042,2.2164349507786616,2.235488706025503,2.249411212417391,2.260250135832928,2.269075205170094,2.276370382103983,2.282543650691926,third
+270,6.09,94,2.217518240786137e+17,4.22,1.4398351280479205,161.1,Ring,Base,0,0.14448315278753737,0.1004186655104136,7.88,7.019844397542906,6.253584904384496,5.570573020698402,4.961385775195171,4.418834308257178,3.936161475620876,3.506974522553841,3.1252450838547734,2.785309183853498,2.4818672364109644,3.0,3.0,3.0,3.0,3.0,3.0,3.0,3.0,3.0,3.0,3.0,1.77,1.77,1.77,1.77,1.77,1.77,1.77,1.77,1.77,1.77,1.77,first
+280,7.76,98,3.503805424208096e+17,1.31,0.2700271372130602,67.5,Linear,Base,1,0.18270720800936732,0.15595973795844062,7.14,2.790612556725644,2.221408255411627,2.088237721121371,2.053969059289363,2.044370576889326,2.041662763247995,2.041464422855653,2.0406318342176277,2.040840863232008,2.041463607251386,0.06,0.06,0.06,0.06,0.06,0.06,0.06,0.06,0.06,0.06,0.06,2.33,4.504693721637178,4.789295872294186,4.8558811394393135,4.873015470355318,4.877814711555336,4.879168618376001,4.8792677885721725,4.879684082891186,4.879579568383995,4.879268196374307,second
+274,7.31,92,4.633793790711534e+17,1.9,0.6418538861723947,197.6,Linear,None,1,1.3386437301615368,0.7708311904949878,2.76,1.2748576578917095,1.2742668434747328,1.274004157489561,1.2743266828174642,1.2754455395579165,1.2766170422350018,1.276335242603228,1.2754123043966372,1.274567639784467,1.2746940571536027,4.07,4.07,4.07,4.07,4.07,4.07,4.07,4.07,4.07,4.07,4.07,3.1,3.59504744736943,3.595244385508422,3.5953319475034795,3.5952244390608445,3.5948514868140267,3.5944609859216645,3.594554919132255,3.5948625652011184,3.5951441200718413,3.595101980948795,third
+280,12.12,96,4.1745973887937664e+17,4.79,1.5665304114228238,103.3,Unknown,Acid,1,0.513982514305966,0.2604476362373283,7.77,4.600719668002801,4.394139223042506,4.373359986639121,4.371224659049059,4.370885061322792,4.370541131549193,4.371326611373249,4.370565914396657,4.370976970048367,4.371145730467862,4.01,0.8407196680028016,0.634139223042507,0.6133599866391215,0.611224659049059,0.6108850613227924,0.6105411315491933,0.6113266113732487,0.610565914396657,0.6109769700483674,0.611145730467862,1.87,5.039280331997198,5.245860776957493,5.266640013360878,5.268775340950941,5.269114938677208,5.269458868450807,5.268673388626751,5.269434085603343,5.269023029951633,5.268854269532138,second
+270,8.82,98,4.34583658566644e+17,4.73,1.5539252025038417,56.7,Linear,Acid,1,0.04765943977102531,0.03033105077705693,6.25,2.106116531617389,1.6725411547366773,1.5183806552913726,1.4501609801774795,1.418474392577589,1.4025812489231142,1.3950950560216784,1.3907082909133757,1.389073785412064,1.3881034656902396,1.05,1.05,1.05,1.05,1.05,1.05,1.05,1.05,1.05,1.05,1.05,2.57,3.9512944894608704,4.095819615087774,4.147206448236209,4.16994633994084,4.18050853580747,4.1858062503589615,4.188301647992773,4.189763903028875,4.190308738195978,4.190632178103253,third
+271,11.02,95,3.550954161245938e+17,3.55,1.2669476034873244,21.7,Branched,Acid,0,0.1732397546509522,0.12366946614948303,4.96,4.2756065364634885,3.9410425666650353,3.759317749995003,3.6553237026692207,3.5940493821920447,3.5573927524585236,3.535097484553206,3.521561892057246,3.5132394161987652,3.508148022008433,1.46,0.7756065364634881,0.44104256666503455,0.25931774999500207,0.15532370266922008,0.0940493821920436,0.05739275245852249,0.03509748455320509,0.021561892057245218,0.013239416198763955,0.00814802200843199,1.81,2.494393463536512,2.828957433334965,3.0106822500049977,3.1146762973307798,3.1759506178079557,3.212607247541477,3.2349025154467945,3.2484381079427544,3.2567605838012352,3.2618519779915673,second
+272,11.19,100,1.977517726787535e+17,2.14,0.7608058290337602,28.1,Ring,Base,0,0.012345680363248469,0.008334217562295413,1.14,1.1287961581951826,1.1177024269828788,1.1067177242132125,1.09584097830451,1.0850711281352452,1.0744071233918644,1.0638479239290775,1.0533924996651294,1.0430398305818007,1.0327889067244078,2.37,2.37,2.37,2.37,2.37,2.37,2.37,2.37,2.37,2.37,2.37,1.83,1.8412038418048173,1.8522975730171212,1.8632822757867875,1.87415902169549,1.8849288718647548,1.8955928766081356,1.9061520760709225,1.9166075003348706,1.9269601694181993,1.9372110932755922,first
+274,8.0,96,4.7742580629689363e+17,0.76,-0.2744368457017603,101.0,Linear,Enzyme,0,0.23826330679896265,0.19706889851024256,4.47,3.694239889131316,3.0531323641634955,2.5221541439079607,2.0829292158734365,1.721312003405749,1.4240101044254667,1.1785802800332765,0.9742516704404383,0.8051718955363973,0.6654534878610173,0.24,0.24,0.24,0.24,0.24,0.24,0.24,0.24,0.24,0.24,0.24,0.68,0.68,0.68,0.68,0.68,0.68,0.68,0.68,0.68,0.68,0.68,first
+271,5.45,94,3.626216980846332e+17,2.13,0.7561219797213337,93.3,Linear,None,0,0.27574712416726227,0.18576653232066198,2.56,1.204941500196499,0.7874830485841696,0.5847754869077,0.46562302926258836,0.3861455474190493,0.33042727451631965,0.288393234316208,0.2558285288982539,0.2301194169628648,0.20906096315516695,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,0.81,1.4875292499017507,1.6962584757079153,1.7976122565461499,1.8571884853687057,1.8969272262904753,1.9247863627418402,1.945803382841896,1.962085735550873,1.9749402915185676,1.9854695184224165,second
+276,8.44,99,3.29917212725987e+17,0.87,-0.13926206733350766,195.2,Branched,None,0,0.06044912365658259,0.0510492978451989,1.66,1.5216877732097878,1.4035536691885155,1.3012277629781077,1.2117351583589264,1.1333049416405412,1.0642788856784928,1.0030968238114826,0.9482966498613716,0.8985143181331812,0.8526778889061604,1.87,1.731687773209788,1.6135536691885157,1.5112277629781081,1.4217351583589266,1.3433049416405414,1.274278885678493,1.2130968238114828,1.1582966498613718,1.1085143181331814,1.0626778889061608,1.86,1.9983122267902123,2.1164463308114847,2.2187722370218923,2.3082648416410736,2.386695058359459,2.455721114321507,2.516903176188517,2.571703350138628,2.621485681866819,2.66732211109384,second
+278,2.17,100,4.216943232343752e+17,4.51,1.506297153514587,30.7,Unknown,Base,0,0.06837231478318379,0.03703459885009448,1.82,1.7231235070809237,1.6314036722245926,1.5445655378483598,1.4623466617887186,1.384504217307658,1.3108075086326842,1.2410362527390935,1.174980579349969,1.1124410309361845,1.0532285627164009,2.47,2.47,2.47,2.47,2.47,2.47,2.47,2.47,2.47,2.47,2.47,3.77,3.77,3.77,3.77,3.77,3.77,3.77,3.77,3.77,3.77,3.77,first
+274,9.78,97,4.490450134994632e+17,3.89,1.358409157630355,132.9,Ring,Acid,0,0.14447639457284478,0.11367441513359881,8.35,1.1911343892625517,0.8464958360996276,0.6926146776726935,0.5998479806181647,0.5372479594300325,0.4903007403690952,0.45399024275243405,0.42500825880592086,0.40077199789658213,0.3801586672571126,2.02,2.02,2.02,2.02,2.02,2.02,2.02,2.02,2.02,2.02,2.02,0.53,2.916288536912483,3.031168054633458,3.0824617741091025,3.113384006460612,3.1342506801899894,3.1498997532103017,3.1620032524158557,3.17166391373136,3.179742667367806,3.1866137775809626,third
+280,6.6,94,2.5388413748523594e+17,0.53,-0.6348782724359695,128.0,Linear,Base,0,0.7380526800981011,0.4884935753594042,8.35,4.626670665215453,2.562700168131956,1.4202062877678445,0.787954812926563,0.43623701377984103,0.2421285612683583,0.13416891151865926,0.07436349080150603,0.041279104456035484,0.022873734941028286,3.02,3.02,3.02,3.02,3.02,3.02,3.02,3.02,3.02,3.02,3.02,0.84,4.563329334784547,6.6272998318680445,7.769793712232156,8.402045187073437,8.75376298622016,8.947871438731642,9.05583108848134,9.115636509198493,9.148720895543965,9.167126265058972,first
+278,4.54,94,5.989666376826545e+16,0.61,-0.4942963218147801,116.9,Linear,Enzyme,1,0.13022435348161296,0.09772435934609822,4.15,3.456326714697414,3.085386797101058,2.870039022415541,2.7380238605983975,2.6560280808602696,2.6029592680390223,2.569120974443297,2.547068545943096,2.5324933953096185,2.5230071393158897,2.39,1.6963267146974135,1.3253867971010576,1.110039022415541,0.9780238605983975,0.8960280808602692,0.8429592680390222,0.8091209744432968,0.7870685459430957,0.7724933953096178,0.7630071393158894,0.84,1.5336732853025865,1.9046132028989424,2.119960977584459,2.2519761394016027,2.3339719191397306,2.387040731960978,2.420879025556703,2.4429314540569043,2.4575066046903817,2.4669928606841105,second
+271,10.14,94,4.170892951984926e+17,3.63,1.2892326482767593,183.3,Linear,Base,1,0.3171657247192414,0.28113925716697447,8.15,2.786343285424951,2.632592061824599,2.624018583240129,2.6235407046438977,2.624683947150293,2.622599338165636,2.6212179550731567,2.621597552676612,2.6243151522463095,2.626265001125908,0.96,0.96,0.96,0.96,0.96,0.96,0.96,0.96,0.96,0.96,0.96,5.0,7.681828357287526,7.758703969087701,7.762990708379936,7.763229647678052,7.762658026424854,7.7637003309171835,7.764391022463422,7.764201223661694,7.762842423876846,7.761867499437047,second
+279,2.7,92,4.2596724113913856e+17,1.07,0.06765864847381486,158.9,Branched,Base,0,2.537630418698849,1.431338112884952,1.29,0.20758177954631507,0.11276190330599385,0.0774399297870028,0.05901960209899804,0.04760227918030067,0.039957593781622225,0.034365866713027694,0.030179945332469746,0.026916987080358484,0.02426520729076382,4.3,4.3,4.3,4.3,4.3,4.3,4.3,4.3,4.3,4.3,4.3,3.53,4.071209110226842,4.1186190483470035,4.136280035106499,4.145490198950502,4.15119886040985,4.1550212031091895,4.157817066643487,4.159910027333766,4.161541506459821,4.162867396354619,second
+275,8.21,99,1.9302821325201507e+17,3.48,1.247032293786383,175.5,Ring,Acid,1,0.030232302573640606,0.026978667365687905,7.58,2.645261884365862,2.1126197295013016,1.9238253171139206,1.841583356854111,1.8042939717738131,1.7852129734942621,1.776890301063001,1.771812206392221,1.7697126502808314,1.7689746933870627,4.94,4.94,4.94,4.94,4.94,4.94,4.94,4.94,4.94,4.94,4.94,4.25,5.8949127052113806,6.072460090166233,6.135391560962027,6.162805547715297,6.175235342742063,6.181595675501914,6.1843698996456675,6.1860625978692605,6.186762449906391,6.1870084355376465,third
+276,2.57,91,4.2026298622972845e+17,1.04,0.03922071315328133,22.7,Branched,None,0,2.5154077590334873,1.5754648123869819,7.72,5.707673792773209,3.6953475855464193,1.683021378319629,-0.3293048289071603,-2.3416310361339523,-4.353957243360745,-6.366283450587537,-8.378609657814334,-10.39093586504113,-12.403262072267928,1.17,1.17,1.17,1.17,1.17,1.17,1.17,1.17,1.17,1.17,1.17,4.91,6.922326207226791,8.93465241445358,10.94697862168037,12.959304828907161,14.971631036133953,16.983957243360745,18.996283450587537,21.008609657814333,23.020935865041128,25.03326207226793,zero
+272,6.52,95,2.138338279578345e+17,3.05,1.1151415906193203,42.9,Ring,Acid,0,0.1218151548936661,0.06925613850227279,1.98,0.8723649225619138,0.5765172671800944,0.4340183016848891,0.3492265153199602,0.2929803992914042,0.25250273852374006,0.22191337310058137,0.1982734105797177,0.1791826590316977,0.16340117181823655,3.67,3.1161824612809568,2.968258633590047,2.8970091508424445,2.85461325765998,2.826490199645702,2.80625136926187,2.7909566865502904,2.779136705289859,2.7695913295158485,2.761700585909118,1.68,2.233817538719043,2.3817413664099525,2.452990849157555,2.4953867423400196,2.5235098003542977,2.5437486307381296,2.5590433134497093,2.570863294710141,2.580408670484151,2.5882994140908817,third
+278,3.8,93,1.3215572278694395e+17,3.89,1.358409157630355,35.7,Linear,None,0,0.44287047301013815,0.29539992030419626,5.7,1.1336875851256951,0.6296921143332068,0.4360305863164838,0.33344756777680307,0.2697578448046343,0.2267151251905311,0.19544924650845064,0.17163568548954805,0.1531757346937561,0.13829572578767976,1.42,1.42,1.42,1.42,1.42,1.42,1.42,1.42,1.42,1.42,1.42,0.69,2.9731562074371523,3.225153942833397,3.321984706841758,3.3732762161115986,3.405121077597683,3.4266424374047344,3.442275376745775,3.454182157255226,3.463412132653122,3.4708521371061605,second
+280,7.04,100,4.007674584510791e+17,2.88,1.0577902941478545,60.7,Branched,Enzyme,1,0.08850954414203223,0.06785186827885029,9.93,3.5707967819014517,3.1150868993176064,2.9905479015503795,2.950512861887132,2.936820175364152,2.9318749805878737,2.930540447451808,2.9296644428242393,2.92966988460729,2.929604266377663,3.98,0.8003983909507266,0.572543449658804,0.5102739507751907,0.4902564309435672,0.4834100876820771,0.4809374902939378,0.48027022372590517,0.4798322214121206,0.47983494230364604,0.4798021331888323,1.87,5.049601609049274,5.2774565503411965,5.33972604922481,5.359743569056433,5.366589912317924,5.369062509706063,5.369729776274095,5.37016777858788,5.370165057696354,5.370197866811168,third
+274,10.04,96,2.3767831076461962e+17,4.36,1.472472057360943,87.2,Ring,Enzyme,0,0.11861533149289717,0.09455326104409997,6.36,1.300688832004295,0.9287956621416067,0.7613790462105011,0.6604347178143934,0.5914656481634095,0.5400256817070306,0.500495007079624,0.46844657126144384,0.44166748087744734,0.4190128103289078,3.95,3.95,3.95,3.95,3.95,3.95,3.95,3.95,3.95,3.95,3.95,3.3,4.986437055998568,5.110401445952797,5.166206984596499,5.199855094061868,5.222844783945529,5.239991439430989,5.253168330973458,5.263851142912851,5.272777506374183,5.2803290632236966,third
+275,10.5,95,4.923024865380045e+17,4.6,1.5260563034950492,183.5,Ring,None,0,0.4434927115608237,0.3387671876253113,5.15,0.6811117218908859,0.48360868783534566,0.3955698143461617,0.34253399738410445,0.30675886946759046,0.2799357318948467,0.2591915211260485,0.24263705802965566,0.22879539633329857,0.21702277512730167,4.67,4.67,4.67,4.67,4.67,4.67,4.67,4.67,4.67,4.67,4.67,0.93,2.4196294260363707,2.485463770721551,2.514810061884612,2.5324886675386313,2.5444137101774693,2.5533547560350502,2.5602694929579832,2.565787647323447,2.5704015345555664,2.5743257416242322,third
+274,12.89,91,4.1900319977052115e+17,1.1,0.09531017980432493,30.9,Ring,None,1,1.8775430428443158,0.9827314490106329,9.56,1.2331922369946664,1.2343135809470513,1.2341519464395063,1.2327155349792185,1.2349962595449704,1.2328422237692194,1.234261511430204,1.2334977786176158,1.2327645878917564,1.2346664072298346,4.82,4.82,4.82,4.82,4.82,4.82,4.82,4.82,4.82,4.82,4.82,0.81,3.5856025876684443,3.585228806350983,3.585282684520165,3.5857614883402604,3.585001246818343,3.585719258743593,3.585246162856598,3.585500740460795,3.5857451373694147,3.585111197590056,third
+279,7.58,99,3.854953809926029e+17,1.81,0.5933268452777344,105.5,Branched,Acid,1,0.11232527552571239,0.0758233897706092,2.92,1.5636231025119878,1.445312309629697,1.4252933106795802,1.4218130837570373,1.421310853196119,1.4205524058428076,1.42139268113774,1.419085699446039,1.4212192632891434,1.4225735903047732,2.85,2.85,2.85,2.85,2.85,2.85,2.85,2.85,2.85,2.85,2.85,3.75,4.202125632496005,4.2415625634567675,4.248235563106806,4.249395638747654,4.249563048934626,4.249815864719063,4.2495357729540855,4.250304766851319,4.249593578903618,4.249142136565076,third
+277,6.86,92,1.9694333580852592e+17,3.63,1.2892326482767593,159.0,Unknown,Base,1,0.8811008207229571,0.4837060395545021,5.38,1.362012321161627,1.357499992620094,1.3578618243747786,1.3579249677700274,1.3564693222031763,1.3590276624723816,1.357226744945347,1.3570612356571812,1.3584739232923744,1.3577243299339832,2.98,0.9710061605808136,0.968749996310047,0.9689309121873894,0.9689624838850137,0.9682346611015882,0.9695138312361908,0.9686133724726735,0.9685306178285906,0.9692369616461872,0.9688621649669916,1.24,3.248993839419186,3.251250003689953,3.2510690878126103,3.251037516114986,3.2517653388984114,3.2504861687638087,3.2513866275273258,3.2514693821714085,3.2507630383538118,3.2511378350330076,third
+280,8.19,93,3.5077080540504826e+17,4.76,1.5602476682433286,111.0,Unknown,None,1,1.56687466248433,0.8321436394420348,1.79,0.8133947097337044,0.8149500196298674,0.8125431178375615,0.8145031452087175,0.8132046630789692,0.814339594530532,0.813493772690515,0.8141747490221277,0.813022378550515,0.8138063417331257,3.76,3.271697354866852,3.2724750098149338,3.2712715589187806,3.272251572604359,3.271602331539484,3.2721697972652657,3.2717468863452575,3.272087374511064,3.271511189275257,3.271903170866563,3.59,4.078302645133148,4.077524990185067,4.078728441081219,4.07774842739564,4.078397668460515,4.0778302027347335,4.078253113654741,4.077912625488936,4.078488810724742,4.078096829133438,third
+272,4.37,100,1.0670761124574174e+17,2.66,0.9783261227936078,169.3,Ring,Base,0,0.0066617762405891436,0.004938723777011488,7.33,5.785778938608381,4.935754001763954,4.362985268831272,3.9485062299857923,3.630809498138199,3.3800091403079966,3.173233402211487,2.9981045344442045,2.8483672316948816,2.7183314502907785,3.85,3.07788946930419,2.6528770008819764,2.3664926344156356,2.1592531149928957,2.000404749069099,1.875004570153998,1.771616701105743,1.6840522672221019,1.6091836158474404,1.5441657251453889,3.03,3.80211053069581,4.2271229991180235,4.513507365584364,4.720746885007104,4.879595250930901,5.004995429846002,5.108383298894257,5.195947732777898,5.2708163841525595,5.335834274854611,third
+271,11.54,100,3.73358057470704e+17,1.05,0.04879016416943205,29.0,Ring,Enzyme,1,0.019799511222752388,0.01129739712310952,1.71,1.583358394084307,1.4962507998904717,1.433193239199459,1.3865582387801643,1.3522520580864459,1.3262596350515792,1.30544993408028,1.2892532891011357,1.2766673223597522,1.2667789979126247,1.88,1.88,1.88,1.88,1.88,1.88,1.88,1.88,1.88,1.88,1.88,3.09,3.1322138686385643,3.1612497333698424,3.182268920266847,3.197813920406612,3.209249313971185,3.217913454982807,3.22485002197324,3.2302489036329547,3.2344442258800825,3.237740334029125,third
+280,3.17,100,3.870344444813987e+17,1.4,0.3364722366212129,74.7,Ring,Enzyme,0,0.08547660626117146,0.04723522526288465,4.57,4.267942607127837,3.985850151466752,3.722396723086102,3.476330932203858,3.246530901991494,3.031939404641735,2.831554656968305,2.6444303204059234,2.4696755010103053,2.306454749458164,3.91,3.91,3.91,3.91,3.91,3.91,3.91,3.91,3.91,3.91,3.91,0.19,0.19,0.19,0.19,0.19,0.19,0.19,0.19,0.19,0.19,0.19,first
+280,6.09,92,9.017792750774131e+16,3.99,1.3837912309017721,199.0,Linear,Enzyme,0,0.6189706997615381,0.5330112577140408,3.53,2.1514093626672386,1.3107257799061367,0.7992535138106327,0.48705182663534086,0.297048587768021,0.18106704582062466,0.11043783447826161,0.0673291619532713,0.041078052519204704,0.02504292382283707,3.82,3.82,3.82,3.82,3.82,3.82,3.82,3.82,3.82,3.82,3.82,0.22,1.5985906373327616,2.4392742200938637,2.9507464861893675,3.2629481733646593,3.4529514122319793,3.5689329541793757,3.6395621655217387,3.682670838046729,3.7089219474807957,3.724957076177163,first
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+279,7.94,93,2.7108333819584787e+17,4.46,1.4951487660319727,45.6,Ring,Enzyme,0,1.0493667561796274,0.6220160722926542,6.98,6.710933312012802,6.7100035007222845,6.710000197421645,6.70999950142572,6.7099998640438665,6.710001265017726,6.70999979295684,6.7099993535935925,6.710001545038112,6.710000246172938,0.27,0.0009333120128025383,3.500722285188943e-06,1.9742164627576184e-07,-4.985742785934457e-07,-1.3595613248820412e-07,1.265017726839867e-06,-2.0704315934374678e-07,-6.464064057847759e-07,1.5450381131134405e-06,2.461729393673553e-07,4.57,4.839066687987199,4.839996499277716,4.8399998025783555,4.84000049857428,4.840000135956134,4.839998734982275,4.840000207043161,4.840000646406408,4.839998454961889,4.839999753827063,second
+274,2.49,100,8.176150587338602e+16,3.76,1.324418957401803,20.0,Linear,None,0,0.0070489288373822255,0.006283130618965871,6.45,6.285653884073452,6.1310015970160965,5.985198239532681,5.847536471537679,5.71737564853943,5.594125996301712,5.4772486108437395,5.3662554584401585,5.260709375621055,5.160224069171947,4.66,4.495653884073452,4.3410015970160964,4.195198239532681,4.057536471537679,3.9273756485394298,3.804125996301712,3.6872486108437394,3.5762554584401585,3.4707093756210545,3.3702240691719467,0.3,0.4643461159265482,0.6189984029839042,0.7648017604673187,0.9024635284623214,1.0326243514605702,1.1558740036982877,1.272751389156261,1.383744541559842,1.4892906243789459,1.5897759308280537,second
+276,1.45,93,5.064303951440458e+16,0.59,-0.527632742082372,110.2,Unknown,Base,0,0.12678896676489265,0.1091616379035265,9.93,8.972183939754439,8.106758785926047,7.324602429533485,6.61743268443467,5.978549486315428,5.401683644863461,4.880933344229495,4.410764143027283,3.986008974333602,3.601868145688255,4.04,4.04,4.04,4.04,4.04,4.04,4.04,4.04,4.04,4.04,4.04,0.48,0.48,0.48,0.48,0.48,0.48,0.48,0.48,0.48,0.48,0.48,first
+276,6.62,99,4.437823122055008e+17,3.39,1.220829921392359,198.1,Unknown,Enzyme,0,0.08131207112674967,0.0436154326492568,2.56,2.4949503430986,2.4299006861972003,2.3648510292958007,2.299801372394401,2.2347517154930014,2.1697020585916014,2.1046524016902017,2.039602744788802,1.9745530878874022,1.9095034309860024,4.61,4.61,4.61,4.61,4.61,4.61,4.61,4.61,4.61,4.61,4.61,0.53,0.5950496569013997,0.6600993138027995,0.7251489707041993,0.790198627605599,0.8552482845069987,0.9202979414083985,0.9853475983097982,1.050397255211198,1.1154469121125978,1.1804965690139975,zero
+271,6.19,98,6.470208981259013e+16,2.1,0.7419373447293773,32.7,Linear,Base,1,0.008335980121285601,0.004855416754222365,8.51,6.315312484555642,5.287488089094915,4.6688399959182645,4.251394726830636,3.9454054485388177,3.70989404466226,3.5249945764056068,3.3746497207386126,3.249280971846939,3.143979088702911,3.78,2.682656242277821,2.168744044547457,1.8594199979591317,1.6506973634153175,1.4977027242694085,1.3799470223311296,1.287497288202803,1.212324860369306,1.1496404859234692,1.0969895443514552,3.47,4.567343757722179,5.0812559554525425,5.390580002040869,5.5993026365846825,5.752297275730592,5.870052977668871,5.962502711797197,6.037675139630695,6.100359514076531,6.153010455648545,third
+272,12.55,92,3.1610604843547994e+17,2.35,0.8544153281560676,112.2,Linear,None,1,0.6785719099454056,0.6039565360817787,6.79,1.4367083706679884,1.4366740824611357,1.4363811681803387,1.4373928057494734,1.438417398894831,1.439063516169912,1.4367040975851686,1.4361701396392144,1.436457010173081,1.4374365781336484,3.29,3.29,3.29,3.29,3.29,3.29,3.29,3.29,3.29,3.29,3.29,1.55,3.33443054311067,3.334441972512954,3.3345396106065532,3.3342023980835083,3.3338608670350554,3.3336454946100282,3.3344319674716094,3.3346099534535942,3.334514329942305,3.334187807288783,third
+279,13.22,99,1.839731142494166e+17,4.27,1.451613827240533,115.7,Unknown,Enzyme,0,0.05360591012577039,0.029189470338334588,8.11,1.9187568793638172,1.3771380814845466,1.1292622730383517,0.9804270128392729,0.8781030441238679,0.8028587571937749,0.7433547354996467,0.6956297706288705,0.6564400487333987,0.6231209183990761,1.81,1.81,1.81,1.81,1.81,1.81,1.81,1.81,1.81,1.81,1.81,3.75,5.813747706878727,5.994287306171818,6.076912575653883,6.126524329053575,6.160632318625377,6.185713747602075,6.205548421500118,6.22145674312371,6.234519983755534,6.245626360533642,third
+276,5.35,91,9.461387846142882e+16,1.62,0.4824261492442928,84.0,Branched,Base,0,0.5662941819578551,0.4016547279737866,2.5,2.0469646544337157,1.5939293088674316,1.1408939633011475,0.6878586177348633,0.23482327216857923,-0.21821207339770488,-0.671247418963989,-1.1242827645302742,-1.577318110096558,-2.0303534556628433,1.51,1.51,1.51,1.51,1.51,1.51,1.51,1.51,1.51,1.51,1.51,1.37,1.8230353455662844,2.276070691132568,2.729106036698852,3.1821413822651365,3.6351767278314204,4.088212073397704,4.541247418963989,4.994282764530274,5.447318110096558,5.900353455662843,zero
+273,7.07,95,3.2670645758494144e+17,4.23,1.4422019930581866,91.0,Branched,Enzyme,1,0.21707601615692754,0.1431168010224174,1.69,1.7264911857412855,1.7538286935031224,1.7742968398107508,1.789986072954741,1.8018634537078049,1.810419000030294,1.8163683722062431,1.8206528728433702,1.8242905960964035,1.8271425080467625,3.67,3.67,3.67,3.67,3.67,3.67,3.67,3.67,3.67,3.67,3.67,2.93,2.893508814258715,2.866171306496878,2.8457031601892493,2.8300139270452593,2.8181365462921955,2.809580999969706,2.803631627793757,2.79934712715663,2.795709403903597,2.792857491953238,first
+278,11.98,100,4.185800547783742e+17,2.61,0.959350221334602,64.3,Linear,Enzyme,1,0.06786737617846206,0.051677369791813664,7.84,1.8677907444215367,1.5248996272834183,1.4250367183601849,1.3900569235946592,1.3771989305599812,1.3717113428952181,1.370169926414202,1.3691113451461387,1.3688106999850804,1.3690208461305535,4.23,4.23,4.23,4.23,4.23,4.23,4.23,4.23,4.23,4.23,4.23,1.21,3.2007364185261546,3.315033457572194,3.3483210938799384,3.359981025468447,3.3642670231466725,3.3660962190349273,3.3666100245285993,3.366962884951287,3.367063100004973,3.3669930512898154,third
+272,2.85,98,1.0123840051984613e+17,3.48,1.247032293786383,27.6,Linear,Base,0,0.015304953891666914,0.01237460915878031,5.34,5.327756036886667,5.315512073773333,5.3032681106599995,5.291024147546667,5.278780184433333,5.266536221319999,5.254292258206665,5.2420482950933325,5.229804331979999,5.217560368866665,1.88,1.88,1.88,1.88,1.88,1.88,1.88,1.88,1.88,1.88,1.88,1.45,1.4622439631133335,1.474487926226667,1.4867318893400006,1.498975852453334,1.5112198155666676,1.5234637786800012,1.5357077417933347,1.5479517049066682,1.5601956680200018,1.5724396311333353,zero
+271,11.43,100,3.3243546177341203e+17,2.28,0.8241754429663494,160.6,Unknown,Base,0,0.01762934942616047,0.009831146984873543,8.74,8.72589652045907,8.711793040918142,8.697689561377214,8.683586081836285,8.669482602295357,8.655379122754429,8.6412756432135,8.627172163672572,8.613068684131644,8.598965204590716,4.78,4.78,4.78,4.78,4.78,4.78,4.78,4.78,4.78,4.78,4.78,2.01,2.024103479540928,2.0382069590818563,2.052310438622785,2.0664139181637133,2.0805173977046416,2.09462087724557,2.108724356786498,2.122827836327427,2.136931315868355,2.1510347954092834,zero
+280,3.4,100,3.173408245692053e+17,3.9,1.3609765531356006,33.2,Linear,Base,0,0.07008476144453628,0.04931257299619357,6.94,6.561596643692291,6.203823123167935,5.865534474650411,5.545686363254878,5.243290456140746,4.957401644256972,4.687118042342065,4.431580988924081,4.1899750463206225,3.9615280006388445,3.17,3.17,3.17,3.17,3.17,3.17,3.17,3.17,3.17,3.17,3.17,0.71,1.088403356307709,1.4461768768320653,1.7844655253495894,2.1043136367451223,2.4067095438592547,2.692598355743028,2.9628819576579355,3.2184190110759197,3.460024953679378,3.688471999361156,first
+275,13.6,98,5.485895164600963e+16,4.83,1.5748464676644813,178.2,Unknown,Enzyme,0,0.013306043670907068,0.008781645306510048,8.02,3.5535444161445295,2.647077737683432,2.200363052390103,1.9251156461303351,1.7306743419583746,1.5870056816373426,1.4734983472740972,1.380815497468712,1.3038490727587368,1.2384387223216171,3.77,3.77,3.77,3.77,3.77,3.77,3.77,3.77,3.77,3.77,3.77,1.99,3.478818527951823,3.7809740874388558,3.9298789825366325,4.0216281179565545,4.086441886013875,4.134331439454219,4.172167217575301,4.203061500843763,4.228716975747088,4.250520425892794,third
+274,5.26,93,2.14765526709401e+17,3.95,1.3737155789130306,33.4,Branched,Acid,0,0.39998952568132334,0.34300082043445673,7.83,7.510008379454941,7.190016758909882,6.870025138364824,6.550033517819765,6.230041897274706,5.910050276729647,5.5900586561845875,5.270067035639529,4.950075415094469,4.63008379454941,4.87,4.87,4.87,4.87,4.87,4.87,4.87,4.87,4.87,4.87,4.87,3.76,4.079991620545059,4.399983241090117,4.719974861635175,5.039966482180234,5.359958102725293,5.679949723270353,5.999941343815411,6.31993296436047,6.639924584905531,6.95991620545059,zero
+273,9.12,91,1.0404830715194816e+17,3.66,1.297463147413275,63.3,Linear,None,0,0.4027722075752929,0.20545067191305263,8.87,0.7181768260538361,0.5086756031517476,0.415483331445093,0.3602111404766689,0.32197487530474167,0.2941060400540112,0.27235629113432713,0.2546940778018179,0.24010851683056175,0.22776795833995223,1.79,1.79,1.79,1.79,1.79,1.79,1.79,1.79,1.79,1.79,1.79,4.2,6.917274391315389,6.987108132282752,7.0181722228516366,7.036596286507778,7.049341708231753,7.058631319981997,7.065881236288559,7.071768640732729,7.076630494389814,7.080744013886684,third
+279,6.06,100,4.195215277252299e+17,4.59,1.5238800240724537,115.6,Unknown,Enzyme,0,0.07943005652272983,0.05815138620981034,8.24,1.5923185761337595,1.136440846715785,0.9307217132771525,0.8079541052791632,0.72277164496577,0.6604493425050539,0.6119574837541769,0.572432793586305,0.5397445774781534,0.5120785186606243,2.5,2.5,2.5,2.5,2.5,2.5,2.5,2.5,2.5,2.5,2.5,2.52,4.735893807955414,4.887853051094739,4.956426095574283,4.997348631573613,5.02574278501141,5.0465168858316485,5.062680838748608,5.075855735471232,5.086751807507283,5.095973827113125,third
+275,10.58,96,2.3643779730279066e+17,4.56,1.5173226235262947,22.8,Unknown,Acid,1,0.13753725636236522,0.11210803237726087,8.41,4.22191910837715,4.0605790858759505,4.04193700474339,4.0396362445676255,4.039348989032029,4.03935435056664,4.039325829374228,4.039259406961896,4.0394811553955,4.039395145161351,2.3,0.2059595541885743,0.12528954293797448,0.11596850237169401,0.11481812228381212,0.11467449451601411,0.11467717528331935,0.11466291468711329,0.1146297034809475,0.11474057769774994,0.11469757258067514,0.11,2.2040404458114256,2.284710457062025,2.2940314976283056,2.2951818777161876,2.295325505483986,2.2953228247166804,2.2953370853128865,2.2953702965190526,2.29525942230225,2.2953024274193248,third
+276,4.15,100,3.293664229198689e+17,3.43,1.2325602611778486,154.6,Branched,None,1,0.039030272228529984,0.02731394250489306,3.88,3.838621958078685,3.799382822388551,3.762172048769356,3.7268844378448107,3.6934203042017026,3.661686317741271,3.631593387099138,3.603056531503716,3.5759948807762068,3.550331675330601,0.56,0.56,0.56,0.56,0.56,0.56,0.56,0.56,0.56,0.56,0.56,3.6,3.641378041921315,3.680617177611449,3.717827951230644,3.7531155621551893,3.7865796957982973,3.818313682258729,3.848406612900862,3.876943468496284,3.9040051192237932,3.929668324669399,first
+274,9.93,90,1.6017282316652627e+17,0.63,-0.4620354595965587,37.2,Linear,Enzyme,0,1.1132831873808464,0.8664691490971488,2.15,0.4251824670920377,0.3034091442503482,0.24861659128979433,0.21571453400772067,0.1930905886821209,0.17633311293165477,0.16344157953534844,0.15292392826817655,0.14418121448833288,0.13678486216577856,1.48,1.48,1.48,1.48,1.48,1.48,1.48,1.48,1.48,1.48,1.48,2.12,2.6949391776359874,2.735530285249884,2.7537944695700682,2.764761821997426,2.7723031371059594,2.7778889623561147,2.7821861401548835,2.7856920239106078,2.7886062618372223,2.791071712611407,third
+277,1.01,100,1.970747406146924e+17,3.97,1.3787660946990992,48.1,Branched,Acid,1,0.027332485934773658,0.015528465538809946,4.85,4.073845789925812,3.53982149898147,3.1517406574670623,2.864007519912583,2.6441784555146675,2.4688847813530317,2.3295689127824346,2.218403490465052,2.1283330140985823,2.0535703468880526,3.89,3.89,3.89,3.89,3.89,3.89,3.89,3.89,3.89,3.89,3.89,3.29,3.6780771050370937,3.945089250509265,4.139129671266469,4.282996240043708,4.392910772242666,4.480557609323484,4.5502155436087826,4.605798254767474,4.650833492950709,4.688214826555973,second
+275,6.37,96,3.953692830192392e+17,2.58,0.9477893989335261,27.0,Branched,None,1,0.22998863572892797,0.19966888175984013,6.87,2.5131542088733885,2.096140486352697,2.0230418715570937,2.008734515259632,2.00590210465021,2.0059601706151438,2.0048571476975456,2.006195996285663,2.005236850124577,2.0058108822184804,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,2.2,4.378422895563307,4.586929756823653,4.6234790642214545,4.630632742370185,4.632048947674896,4.632019914692429,4.632571426151228,4.63190200185717,4.632381574937712,4.632094558890761,second
+273,2.4,95,1.825735136257551e+17,2.3,0.8329091229351039,69.7,Ring,None,0,0.12130868574382957,0.07149302485415038,4.79,2.4892753032834882,1.6792244840243897,1.2685827883478373,1.0179924799265312,0.8511435234284457,0.7302245455859803,0.6402859335765452,0.5699111089159073,0.5131492544016931,0.46667758416841354,2.0,2.0,2.0,2.0,2.0,2.0,2.0,2.0,2.0,2.0,2.0,1.83,2.980362348358256,3.385387757987805,3.590708605826081,3.716003760036734,3.799428238285777,3.85988772720701,3.9048570332117274,3.9400444455420462,3.968425372799153,3.991661207915793,second
+279,4.83,94,2.315018535637538e+16,1.61,0.4762341789963717,99.5,Branched,Base,0,0.058230598718842244,0.032857742336208196,1.09,1.0403874697544429,0.9930331173911836,0.9478340820866886,0.9046915772138902,0.8635127076092826,0.8242086977774048,0.7866943112973023,0.7508878508225261,0.7167111580811334,0.6840896138756876,0.4,0.4,0.4,0.4,0.4,0.4,0.4,0.4,0.4,0.4,0.4,4.99,4.99,4.99,4.99,4.99,4.99,4.99,4.99,4.99,4.99,4.99,first
+278,8.88,91,3.601087137671653e+17,3.84,1.3454723665996355,100.0,Unknown,None,1,2.866993653400503,1.5265947426460227,3.58,1.4651147902972619,1.4020661907106073,1.4005840344365523,1.400873466329676,1.4012763406269595,1.401464389098383,1.4016468482738513,1.4017755869132118,1.4016115963496996,1.4012754161005698,0.45,0.45,0.45,0.45,0.45,0.45,0.45,0.45,0.45,0.45,0.45,0.45,2.564885209702738,2.627933809289393,2.6294159655634477,2.629126533670324,2.62872365937304,2.628535610901617,2.6283531517261487,2.6282244130867882,2.6283884036503,2.62872458389943,first
+271,2.65,97,1.7763007802559654e+17,4.56,1.5173226235262947,77.2,Ring,Base,1,0.03567053140172229,0.026142398804126284,6.85,6.8459910871961105,6.842789450820713,6.840234181620622,6.838181328284411,6.836513783318222,6.835187084576962,6.834154453490772,6.833360892850671,6.832743186808552,6.832229900877191,0.3,0.29599108719611106,0.29278945082071395,0.29023418162062314,0.2881813282844116,0.2865137833182221,0.2851870845769622,0.2841544534907725,0.2833608928506711,0.28274318680855337,0.28222990087719196,2.59,2.5940089128038886,2.597210549179286,2.599765818379377,2.6018186717155882,2.603486216681778,2.6048129154230377,2.6058455465092276,2.606639107149329,2.6072568131914466,2.607770099122808,second
+276,2.51,91,1.7531033359848803e+17,2.73,1.0043016091968684,194.6,Ring,Enzyme,0,1.0492881548491508,0.9409136595747231,1.63,0.7037698765632532,0.3043131366529909,0.13155215990708113,0.056898848702729335,0.02461381729830106,0.010646057413416201,0.004601493300627821,0.0019878627788250127,0.0008588995504249322,0.0003719841805044778,3.12,3.12,3.12,3.12,3.12,3.12,3.12,3.12,3.12,3.12,3.12,3.47,4.396230123436747,4.79568686334701,4.96844784009292,5.0431011512972725,5.075386182701701,5.089353942586586,5.095398506699374,5.098012137221177,5.099141100449577,5.099628015819498,first
+276,12.86,94,4.4671349144691974e+17,3.26,1.1817271953786161,185.1,Unknown,None,0,0.7233158649220633,0.5515103628364899,3.23,1.8101392858674925,1.0152350429365986,0.5695744431827086,0.31931583610325176,0.17937613609136788,0.10047984066789194,0.056422631533515594,0.031643466357742345,0.017747116808221806,0.009964378806845819,1.4,1.4,1.4,1.4,1.4,1.4,1.4,1.4,1.4,1.4,1.4,2.04,2.04,2.04,2.04,2.04,2.04,2.04,2.04,2.04,2.04,2.04,first
+279,10.83,90,2.1051598956008704e+17,3.32,1.199964782928397,71.2,Linear,Enzyme,0,2.9702475473577556,1.5927534601897455,7.48,5.103801962113795,2.7276039242275907,0.35140588634138537,-2.024792151544819,-4.400990189431023,-6.777188227317233,-9.15338626520344,-11.52958430308965,-13.90578234097585,-16.281980378862063,2.56,2.56,2.56,2.56,2.56,2.56,2.56,2.56,2.56,2.56,2.56,1.43,3.8061980378862055,6.1823960757724095,8.558594113658614,10.93479215154482,13.310990189431024,15.687188227317233,18.06338626520344,20.43958430308965,22.81578234097585,25.191980378862063,zero
+277,6.05,92,5.30965847597745e+16,2.53,0.9282193027394288,37.9,Unknown,Enzyme,0,0.23754774040644666,0.1402386258430915,7.11,5.879437812371635,4.86188777500414,4.018656082352222,3.3207222055836407,2.74576000218474,2.272785496874776,1.8821501829911216,1.556763881045373,1.287326459404101,1.0645495361460622,0.43,0.43,0.43,0.43,0.43,0.43,0.43,0.43,0.43,0.43,0.43,2.54,2.54,2.54,2.54,2.54,2.54,2.54,2.54,2.54,2.54,2.54,first
+277,11.85,96,3.121736863669634e+17,1.98,0.6830968447064438,100.9,Unknown,Acid,1,0.24590226880318306,0.2120258974312116,6.78,1.3370875196006873,1.2984598661395337,1.2964182021751458,1.2956754991701762,1.29745837874239,1.297731332130165,1.297882851488563,1.2980039360425168,1.2977231559367948,1.2969500784442056,2.37,2.37,2.37,2.37,2.37,2.37,2.37,2.37,2.37,2.37,2.37,0.7,2.5143041601331046,2.5271800446201556,2.527860599274952,2.528108166943275,2.527513873752537,2.5274228892899453,2.5273723828371457,2.5273320213191615,2.527425614687735,2.527683307185265,third
+270,12.2,97,4.021786175506531e+17,2.6,0.9555114450274363,167.4,Linear,Enzyme,0,0.0688593842885843,0.043710314824375575,5.03,4.760403665175032,4.50525714152092,4.263782150985362,4.035240570916287,3.818950411578398,3.6142609355976947,3.4205509127656035,3.2372286200389766,3.0637318415400925,2.899527868556655,1.65,1.65,1.65,1.65,1.65,1.65,1.65,1.65,1.65,1.65,1.65,3.76,4.029596334824969,4.28474285847908,4.526217849014638,4.754759429083713,4.971049588421602,5.175739064402306,5.369449087234396,5.552771379961023,5.7262681584599076,5.890472131443345,first
+273,11.76,95,4.5691424437054675e+17,1.08,0.0769610411361284,197.3,Ring,Enzyme,1,0.3035909501957845,0.16310008813702154,8.95,7.429838044092,7.248732983255981,7.2231753381401695,7.219541969386656,7.218988261673663,7.218858695499643,7.2188997611006815,7.218776300952693,7.219042555387755,7.218914392916001,1.95,0.4298380440920012,0.24873298325598242,0.22317533814016996,0.21954196938665616,0.2189882616736637,0.21885869549964398,0.21889976110068232,0.21877630095269346,0.21904255538775608,0.2189143929160012,1.21,2.730161955907999,2.9112670167440178,2.93682466185983,2.940458030613344,2.941011738326336,2.941141304500356,2.9411002388993177,2.9412236990473066,2.940957444612244,2.941085607083999,second
+270,2.97,95,4.7268034764347795e+17,1.67,0.5128236264286637,99.7,Branched,Base,0,0.1972645010278616,0.16614667245928746,6.88,5.875585811583835,5.017820896588981,4.28406082100382,3.6562734077140524,3.1211626182508745,2.6661045292862866,2.279111562374991,1.9488324839543956,1.6649182805093363,1.421858273871773,3.38,3.38,3.38,3.38,3.38,3.38,3.38,3.38,3.38,3.38,3.38,3.68,3.68,3.68,3.68,3.68,3.68,3.68,3.68,3.68,3.68,3.68,first
+271,3.63,94,3.233943507797643e+17,1.79,0.5822156198526637,138.5,Linear,Acid,0,0.2459176124056593,0.20945172576161064,5.19,4.263098416490687,3.5017633358030356,2.875009868809314,2.3598379154067177,1.938428642917296,1.5940772798082272,1.3111906566594986,1.0770775953572849,0.8847229947109922,0.7267490756678449,2.68,2.68,2.68,2.68,2.68,2.68,2.68,2.68,2.68,2.68,2.68,1.97,1.97,1.97,1.97,1.97,1.97,1.97,1.97,1.97,1.97,1.97,first
+273,2.67,90,2.2141098984247018e+17,2.53,0.9282193027394288,83.4,Linear,Acid,1,1.3315768566067419,0.8287789875454419,4.53,1.2538987558929287,1.249489560781166,1.250779155229988,1.251090341499007,1.2497618341940544,1.2491306971393517,1.2493888208844723,1.250966034824044,1.2512495205317122,1.2501486397817634,0.55,0.55,0.55,0.55,0.55,0.55,0.55,0.55,0.55,0.55,0.55,0.87,2.5080506220535357,2.510255219609417,2.509610422385006,2.509454829250497,2.510119082902974,2.510434651430325,2.5103055895577646,2.509516982587979,2.509375239734145,2.509925680109119,second
+277,3.17,96,3.8946221437396717e+17,1.25,0.22314355131420976,51.3,Unknown,Base,1,0.30678319893718387,0.21671690147704603,2.45,2.445936690863348,2.443123951008871,2.4414541504105656,2.4406073400078614,2.439980685099051,2.4393485275273683,2.438929306506851,2.438732177703059,2.4386842553125483,2.438630612062871,1.67,1.67,1.67,1.67,1.67,1.67,1.67,1.67,1.67,1.67,1.67,3.44,3.444063309136652,3.446876048991129,3.4485458495894346,3.4493926599921387,3.450019314900949,3.450651472472632,3.451070693493149,3.4512678222969413,3.451315744687452,3.451369387937129,first
+277,10.47,92,1.5228977565607485e+17,1.5,0.4054651081081644,189.4,Linear,None,1,0.6813261579398597,0.45911839674711513,2.63,0.7233472174691017,0.715840606661806,0.714889073235266,0.7153347574738382,0.7160336301803382,0.7149265475339796,0.7155773493306695,0.7158133651155599,0.7148515380125506,0.715848592293123,3.48,2.5266736087345505,2.5229203033309027,2.5224445366176322,2.5226673787369185,2.523016815090169,2.522463273766989,2.5227886746653345,2.52290668255778,2.5224257690062752,2.5229242961465617,0.96,1.9133263912654488,1.9170796966690968,1.9175554633823668,1.9173326212630808,1.9169831849098309,1.91753672623301,1.9172113253346652,1.91709331744222,1.9175742309937245,1.9170757038534383,third
+276,10.22,97,3.5268720825207834e+17,4.84,1.5769147207285403,25.9,Linear,Base,1,0.15448997321424035,0.124059902027636,6.3,5.6785342081017935,5.180998643357805,4.782300562247008,4.464066736706623,4.210177847756685,4.006380027194897,3.8426400821124593,3.71194935413425,3.607870177159481,3.524528317980518,0.19,0.19,0.19,0.19,0.19,0.19,0.19,0.19,0.19,0.19,0.19,0.86,1.481465791898206,1.9790013566421947,2.377699437752991,2.6959332632933766,2.949822152243314,3.153619972805102,3.3173599178875404,3.4480506458657496,3.5521298228405187,3.6354716820194817,first
+275,13.95,91,2.1481820530170794e+17,1.08,0.0769610411361284,66.2,Ring,None,0,1.1130881632264886,1.000384568222865,7.98,7.089529469418809,6.199058938837618,5.308588408256427,4.418117877675236,3.527647347094045,2.637176816512853,1.746706285931661,0.8562357553504691,-0.03423477523072194,-0.9247053058119157,0.99,0.99,0.99,0.99,0.99,0.99,0.99,0.99,0.99,0.99,0.99,1.98,2.870470530581191,3.7609410611623817,4.651411591743573,5.541882122324764,6.432352652905955,7.322823183487147,8.213293714068339,9.10376424464953,9.994234775230723,10.884705305811917,zero
+280,3.41,100,4.743294817028673e+16,2.02,0.7030975114131134,159.6,Unknown,Enzyme,1,0.010475572632794472,0.00873925734042585,9.6,8.313528141544017,7.3487030203728825,6.597974264238719,6.0047644567937635,5.527974878458468,5.132166538678912,4.79779954235642,4.515505507948451,4.274945391797214,4.067820034452857,0.79,0.79,0.79,0.79,0.79,0.79,0.79,0.79,0.79,0.79,0.79,3.29,3.9332359292279904,4.415648489813559,4.7910128678806405,5.087617771603118,5.326012560770766,5.523916730660544,5.6911002288217905,5.832247246025775,5.952527304101394,6.056089982773572,second
+279,8.72,90,4.627661911492863e+17,4.94,1.5973653311998313,96.7,Ring,Acid,0,6.529338446612053,4.823937721387941,1.28,0.17732693724869308,0.12602977739233828,0.10300422531702084,0.08930847679303955,0.07988170620994173,0.0729995842860321,0.06756773020946487,0.06319860863097604,0.05960385039224882,0.05655577036027441,0.01,0.01,0.01,0.01,0.01,0.01,0.01,0.01,0.01,0.01,0.01,4.97,5.337557687583769,5.3546567408692205,5.362331924894327,5.366897174402321,5.370039431263353,5.372333471904656,5.374144089930178,5.375600463789675,5.376798716535917,5.377814743213242,third
+271,2.95,95,4.0687960569570374e+17,3.2,1.1631508098056809,151.8,Linear,Base,0,0.19850361300768685,0.12048997098480584,9.55,2.3706438001879913,1.3554077756602017,0.9487611110971079,0.7290710038476537,0.5928463572523266,0.4988059452093611,0.4312326663816499,0.3793505733283012,0.338582149160362,0.3057418972985604,2.04,2.04,2.04,2.04,2.04,2.04,2.04,2.04,2.04,2.04,2.04,0.24,3.8296780999060047,4.337296112169899,4.540619444451447,4.650464498076174,4.718576821373837,4.765597027395319,4.799383666809175,4.82532471333585,4.845708925419819,4.8621290513507205,second
+279,11.48,96,3.7820739270190784e+17,4.41,1.4838746894587547,148.6,Branched,Enzyme,0,0.401671861405813,0.2533896352292129,7.8,3.9021676215895766,3.2715953733380396,3.0794064822701768,3.011239448894168,2.9857616168825025,2.9760555507058135,2.9723311762553997,2.9708981421643585,2.9703462159725387,2.9701337926921845,4.83,0.9321676215895766,0.3015953733380395,0.1094064822701769,0.041239448894167835,0.015761616882502584,0.0060555507058133225,0.0023311762553997555,0.0008981421643584815,0.0003462159725390958,0.00013379269218445177,2.61,6.5078323784104235,7.138404626661961,7.330593517729823,7.398760551105832,7.424238383117498,7.433944449294187,7.437668823744601,7.439101857835642,7.4396537840274615,7.439866207307817,second
+271,10.3,98,2.6951554883385043e+17,2.84,1.0438040521731147,25.8,Unknown,Acid,0,0.034723395549724326,0.019556907115320078,4.44,4.161001709401462,3.9273102485916613,3.7284632246546714,3.5575912881547307,3.4103879980904592,3.2828568311993833,3.1712902460584376,3.072269683083966,2.982892707663739,2.9026208960313085,2.48,2.2010017094014613,1.9673102485916607,1.7684632246546712,1.5975912881547303,1.4503879980904588,1.322856831199383,1.2112902460584372,1.1122696830839658,1.0228927076637382,0.9426208960313082,4.96,5.238998290598539,5.472689751408339,5.671536775345329,5.84240871184527,5.989612001909541,6.117143168800617,6.228709753941563,6.327730316916034,6.4171072923362615,6.497379103968692,second
+280,8.22,94,1.995669785841789e+17,4.09,1.4085449700547104,59.1,Branched,Enzyme,0,0.5801502404288609,0.29466411251610286,1.19,0.5361729545567534,0.39998671435439215,0.33285476157825417,0.2912790735254526,0.261975160768068,0.2400782320213072,0.22306427177285584,0.20908227454770345,0.1974130004777904,0.18750210883435592,0.76,0.76,0.76,0.76,0.76,0.76,0.76,0.76,0.76,0.76,0.76,3.54,3.7579423484810826,3.8033377618818696,3.8257150794739156,3.8395736421581828,3.849341613077311,3.8566405893262314,3.8623119094090486,3.866972575150766,3.870862333174071,3.874165963721882,third
+275,9.78,94,4.608970714717467e+17,4.84,1.5769147207285403,88.9,Linear,None,0,0.642997688916519,0.49882821224464857,1.46,0.5862130095232359,0.36632218103160136,0.266310256655948,0.20905352130581198,0.17233912448113622,0.14635143411632257,0.12727256202813483,0.11267883309926854,0.10097432080743375,0.09147275732200122,4.08,4.08,4.08,4.08,4.08,4.08,4.08,4.08,4.08,4.08,4.08,3.99,4.4268934952383825,4.536838909484199,4.586844871672026,4.615473239347095,4.633830437759432,4.646824282941839,4.656363718985933,4.663660583450366,4.669512839596284,4.6742636213390005,second
+278,2.93,98,3.153552948728783e+17,1.78,0.5766133643039938,154.2,Branched,Enzyme,1,0.12147446792353636,0.06288773937172433,2.78,2.060353260938648,1.7596294980825906,1.6147449465943926,1.5414227727954157,1.5028628639953439,1.4825321318818467,1.4718085813384165,1.465523383310598,1.4627461148977658,1.4610642409784067,2.9,2.9,2.9,2.9,2.9,2.9,2.9,2.9,2.9,2.9,2.9,3.45,3.809823369530676,3.9601852509587046,4.032627526702803,4.069288613602292,4.088568568002327,4.098733934059076,4.1040957093307915,4.107238308344701,4.108626942551116,4.109467879510796,second
+279,12.79,93,3.456717998538079e+17,1.45,0.371563556432483,88.1,Branched,Enzyme,0,1.338099559085774,1.1215711657975143,1.48,0.38192602447673824,0.2746348379897866,0.22555711980264806,0.19603208968692637,0.1755423486872399,0.1604409310659336,0.14876018195814078,0.13919856206109726,0.13127277378759053,0.12456253881544714,3.55,3.55,3.55,3.55,3.55,3.55,3.55,3.55,3.55,3.55,3.55,3.54,3.9060246585077536,3.941788387336737,3.9581476267324502,3.9679893034376907,3.974819217104253,3.9798530229780216,3.983746606013953,3.9869338126463005,3.989575742070803,3.9918124870615173,third
+277,3.63,91,4.2654854870729216e+17,3.5,1.252762968495368,99.7,Ring,Acid,0,2.945997018921782,1.5948192986887795,7.15,4.4800438566758185,4.480000519672073,4.4800015306334044,4.47999989560547,4.479999445731246,4.4799993430899825,4.48000013648855,4.480000927171941,4.480001586172544,4.480000280263178,2.67,4.385667581771861e-05,5.196720720817944e-07,1.530633403762783e-06,-1.0439452943694318e-07,-5.54268753309283e-07,-6.56910016262689e-07,1.3648855106062825e-07,9.271719430569744e-07,1.5861725460757835e-06,2.8026317990291313e-07,0.62,3.289956143324183,3.2899994803279284,3.2899984693665965,3.2900001043945295,3.2900005542687536,3.290000656910016,3.289999863511449,3.2899990728280564,3.2899984138274534,3.2899997197368194,second
+271,10.36,98,3.6479933218189414e+17,1.63,0.4885800148186709,36.8,Branched,Acid,0,0.046999408985624505,0.03731049348117893,5.72,4.0024144816884775,3.0779160798997918,2.5012833699935757,2.10470592588333,1.819318635050283,1.6005761236997063,1.42839093743671,1.2908173627648347,1.1776563035911405,1.0818819297985935,1.98,1.98,1.98,1.98,1.98,1.98,1.98,1.98,1.98,1.98,1.98,0.79,1.6487927591557612,2.111041960050104,2.3993583150032123,2.597647037058335,2.7403406824748586,2.849711938150147,2.935804531281645,3.0045913186175826,3.06117184820443,3.1090590351007035,second
+274,12.42,100,1.0658684912376902e+17,2.23,0.8020015854720274,115.9,Branched,Base,1,0.009189203482109607,0.007268596586515711,8.77,7.118612110132005,6.3218246361779125,5.8457910199747385,5.531411560224455,5.311099022401512,5.148327698239915,5.026661755170307,4.9330377671897825,4.859458839310973,4.8013753398703996,2.35,1.5243060550660026,1.1259123180889568,0.88789550998737,0.7307057801122278,0.6205495112007564,0.5391638491199578,0.47833087758515414,0.43151888359489143,0.39472941965548647,0.36568766993520013,4.23,5.055693944933998,5.4540876819110435,5.69210449001263,5.849294219887772,5.959450488799244,6.040836150880042,6.1016691224148465,6.148481116405109,6.185270580344515,6.214312330064801,third
+279,7.0,99,8.761687415621302e+16,4.6,1.5260563034950492,159.5,Linear,Acid,0,0.02552972101755778,0.021843617218307115,2.35,1.8154073678922409,1.5405849360144535,1.3564499710228677,1.2252889611926987,1.125968355837528,1.0485369308995836,0.9849538987250375,0.9311457574291188,0.8853216070848564,0.8456507125543751,2.94,2.94,2.94,2.94,2.94,2.94,2.94,2.94,2.94,2.94,2.94,3.97,4.14819754403592,4.2398050213285154,4.301183342992378,4.344903679602434,4.378010548054157,4.403821023033473,4.425015367091655,4.442951414190294,4.458226130971715,4.471449762481876,third
+275,11.15,90,3.041873949248522e+17,3.72,1.3137236682850553,104.3,Unknown,Base,1,2.440904003684218,1.934908427320075,8.6,4.919504748455551,4.9213418079371705,4.920973831082539,4.9207991328177485,4.920898810605143,4.920597369501144,4.920405529291783,4.920096172985184,4.919302833455141,4.920093721268933,4.65,0.9695047484555511,0.9713418079371714,0.9709738310825388,0.9707991328177482,0.9708988106051435,0.9705973695011451,0.9704055292917853,0.9700961729851868,0.9693028334551428,0.9700937212689352,2.34,6.020495251544449,6.018658192062829,6.019026168917461,6.019200867182251,6.019101189394856,6.019402630498855,6.019594470708216,6.019903827014815,6.020697166544858,6.019906278731066,second
+271,1.29,93,3.6038881077613203e+17,4.64,1.534714366238164,106.7,Branched,Enzyme,0,0.42715275697357485,0.23498101486653222,6.69,0.6962346037933821,0.49386222664029045,0.403408980148779,0.34940432309707553,0.31267764681637567,0.2855410855360297,0.2642324873153036,0.24723156002961774,0.23323989002082107,0.2212668625438839,0.85,0.85,0.85,0.85,0.85,0.85,0.85,0.85,0.85,0.85,0.85,2.21,4.207921798735539,4.275379257786569,4.305530339950407,4.3235318923009745,4.335774117727874,4.344819638154656,4.351922504228232,4.357589479990128,4.362253369993059,4.366244379152039,third
+270,12.55,94,2.7137466050885e+17,1.01,0.009950330853168092,137.8,Branched,None,0,0.17681508010083458,0.12787944272323432,2.09,1.8143210942053072,1.5750075803779204,1.3669509451788453,1.186040785765413,1.0291908141297488,0.8934646490298607,0.7760712532896675,0.6743649337989993,0.5858453415135968,0.508580533097549,4.85,4.85,4.85,4.85,4.85,4.85,4.85,4.85,4.85,4.85,4.85,3.13,3.4056789057946926,3.6449924196220795,3.8530490548211547,4.033959214234587,4.190809185870251,4.326535350970139,4.443928746710332,4.545635066201001,4.634154658486403,4.71141946690245,first
+278,7.74,100,1.995256402203514e+17,2.32,0.8415671856782185,42.4,Ring,Base,0,0.03235051820434391,0.021734653831854567,9.46,9.434119585436525,9.408239170873049,9.382358756309575,9.356478341746099,9.330597927182623,9.304717512619149,9.278837098055673,9.252956683492199,9.227076268928723,9.201195854365249,4.93,4.93,4.93,4.93,4.93,4.93,4.93,4.93,4.93,4.93,4.93,1.72,1.7458804145634752,1.7717608291269504,1.7976412436904254,1.8235216582539004,1.8494020728173757,1.8752824873808507,1.901162901944326,1.9270433165078011,1.9529237310712761,1.9788041456347514,zero
+270,12.23,90,3.6359162084774496e+17,1.6,0.47000362924573563,56.5,Linear,Acid,0,1.4074673946483633,0.9005648569642951,1.68,0.5456674635374319,0.17712496079955395,0.05747904165765635,0.018655382873014992,0.006057582802301869,0.0019679925960378567,0.0006395872536754352,0.0002079247845108099,6.762915532487601e-05,2.2004057145199517e-05,1.16,1.16,1.16,1.16,1.16,1.16,1.16,1.16,1.16,1.16,1.16,4.9,6.034332536462568,6.402875039200446,6.522520958342343,6.561344617126984,6.573942417197698,6.578032007403962,6.5793604127463245,6.579792075215489,6.579932370844674,6.579977995942855,first
+272,10.61,91,5.265209223744206e+16,4.19,1.4327007339340465,45.5,Linear,Acid,1,0.17588336214634848,0.11169388837222359,1.33,1.292000182114225,1.2645731552317296,1.2445155490245807,1.2298745093913985,1.2192733931139035,1.21140330943217,1.2054637469878302,1.2011025779020386,1.1979364336576948,1.1955746946321155,0.42,0.3820001821142251,0.35457315523172955,0.3345155490245805,0.31987450939139844,0.3092733931139032,0.3014033094321696,0.29546374698782996,0.2911025779020383,0.2879364336576945,0.2855746946321155,0.38,0.4179998178857749,0.44542684476827044,0.46548445097541946,0.48012549060860155,0.49072660688609676,0.4985966905678304,0.50453625301217,0.5088974220979617,0.5120635663423054,0.5144253053678846,second
+280,8.93,100,3.8637607832111936e+17,3.56,1.269760544863939,120.3,Ring,Acid,0,0.08533120601098627,0.05916506627217207,9.81,4.203167793721939,2.6746117996841337,1.9607642465096096,1.5469346170314697,1.279114291418114,1.0889057742190384,0.9482783062456465,0.8407020062597539,0.7542263303270735,0.6838140159395001,1.26,1.26,1.26,1.26,1.26,1.26,1.26,1.26,1.26,1.26,1.26,2.43,5.233416103139032,5.997694100157934,6.354617876745196,6.561532691484266,6.695442854290944,6.790547112890482,6.860860846877178,6.914648996870124,6.957886834836465,6.993092992030252,second
+279,8.2,98,4.573552054029223e+17,4.99,1.6074359097634274,181.3,Linear,Enzyme,0,0.20508770917131214,0.16948104983898743,6.17,5.23636286924541,4.444017872294924,3.770384928199613,3.1977186155337307,2.7128098319932583,2.303137208469659,1.9568415586792276,1.6627258791630926,1.4113134354048076,1.1977580143037871,0.94,0.94,0.94,0.94,0.94,0.94,0.94,0.94,0.94,0.94,0.94,4.87,4.87,4.87,4.87,4.87,4.87,4.87,4.87,4.87,4.87,4.87,first
+280,3.63,100,2.6427408145960275e+17,4.49,1.501852701754163,106.7,Unknown,Acid,0,0.058364964483260305,0.04631531103447082,7.93,7.764410775610085,7.651298819203552,7.5730002140423,7.518892808782446,7.480847086178471,7.4540832650567115,7.435347551623505,7.422037085521068,7.4126633019217385,7.4060613766661545,0.54,0.37441077561008523,0.26129881920355136,0.18300021404229927,0.12889280878244547,0.09084708617847069,0.06408326505671089,0.04534755162350461,0.03203708552106764,0.022663301921738436,0.016061376666153437,3.61,3.7755892243899147,3.8887011807964487,3.9669997859577006,4.021107191217554,4.059152913821529,4.0859167349432886,4.104652448376495,4.117962914478932,4.1273366980782615,4.1339386233338455,second
+277,12.95,91,1.7106597651044896e+17,0.89,-0.11653381625595151,196.3,Unknown,Enzyme,0,1.1814829949979635,0.7669310078797493,2.85,1.107761163035785,0.43103791134014124,0.1676414990236699,0.06520288796589531,0.025360440404440306,0.009863975264212283,0.00383662381574091,0.0014922516519711238,0.0005804042153430721,0.0002262575355738515,1.14,1.14,1.14,1.14,1.14,1.14,1.14,1.14,1.14,1.14,1.14,0.24,0.24,0.24,0.24,0.24,0.24,0.24,0.24,0.24,0.24,0.24,first
+277,9.19,97,4.334810834987657e+17,0.85,-0.16251892949777494,22.8,Ring,Base,0,0.22118561294898967,0.1656664164935922,5.02,0.9548455977246871,0.6810211669761291,0.5580693135478181,0.4838594082070927,0.4333876382379493,0.39561980654323636,0.3665829172838656,0.3431682747041829,0.32353765647928895,0.30693213862941265,4.35,4.35,4.35,4.35,4.35,4.35,4.35,4.35,4.35,4.35,4.35,0.21,1.5650514674251044,1.6563262776746235,1.6973102288173938,1.722046863930969,1.7388707872540168,1.7514600644855878,1.7611390275720447,1.768943908431939,1.7754874478402367,1.7810226204568622,third
+271,3.22,98,4.08667156252376e+17,1.94,0.6626879730752367,102.7,Branched,Enzyme,1,0.05265117866531782,0.0345314438798753,9.14,8.771335491238787,8.427466815639523,8.106703312722967,7.8075575828826755,7.528613506342329,7.268524032951889,7.026011182187599,6.799866043151973,6.5889487745738125,6.392188604808188,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.12,0.48866450876121376,0.8325331843604797,1.1532966872770345,1.4524424171173265,1.7313864936576728,1.991475967048112,2.2339888178124028,2.4601339568480283,2.671051225426189,2.867811395191813,first
+271,7.96,96,2.4145337460207056e+17,3.08,1.1249295969854831,73.4,Unknown,None,0,0.07557550587641576,0.03809187455380591,5.9,4.921378102403478,4.303660900020868,3.881229375851313,3.578280076521906,3.3498572529358626,3.1751355373273245,3.038154435509902,2.9279364318109113,2.838750451871327,2.765761111131066,3.53,2.551378102403478,1.9336609000208675,1.5112293758513127,1.208280076521906,0.9798572529358623,0.805135537327324,0.6681544355099017,0.5579364318109109,0.46875045187132663,0.39576111113106555,3.37,4.348621897596522,4.966339099979132,5.3887706241486875,5.691719923478094,5.920142747064138,6.0948644626726765,6.231845564490098,6.342063568189089,6.431249548128673,6.504238888868935,second
+272,12.25,93,1.6160765246578982e+17,3.26,1.1817271953786161,115.2,Branched,Base,1,0.22293535086356525,0.19791273423827585,7.86,1.4063862875993418,1.3652666038603425,1.3638436916086274,1.3637789027878608,1.3629281580070594,1.3626425205082295,1.3626210699906816,1.362604432998438,1.3628609627445933,1.3642978079881514,3.04,3.04,3.04,3.04,3.04,3.04,3.04,3.04,3.04,3.04,3.04,0.69,2.8412045708002194,2.8549111320465523,2.855385436130457,2.8554070324040457,2.8556906139976466,2.8557858264972564,2.8557929766697727,2.855798522333854,2.855713012418469,2.85523406400395,third
+279,7.03,96,4.0589737430269075e+17,2.95,1.0818051703517284,114.3,Branched,Acid,1,0.4310797647585787,0.26137826566795697,8.82,2.315275754810642,2.2692220591681505,2.2671279569364673,2.2667425788103963,2.2669809452581497,2.2672889820478566,2.2678510274867425,2.2682221606797746,2.2680201765675148,2.2677577839439547,3.67,0.41763787740532093,0.39461102958407496,0.39356397846823354,0.3933712894051978,0.39349047262907466,0.39364449102392796,0.39392551374337087,0.394111080339887,0.3940100882837571,0.3938788919719771,0.06,3.3123621225946787,3.335388970415925,3.336436021531766,3.3366287105948023,3.336509527370925,3.3363555089760717,3.3360744862566287,3.3358889196601127,3.335989911716242,3.3361211080280224,third
+274,10.33,98,3.087738695246276e+17,2.41,0.8796267475025636,37.9,Linear,Acid,1,0.06404766482133067,0.05696277926108565,8.44,4.551284870192182,4.1023624080721435,3.9753208053586726,3.933618818490768,3.9191661289544264,3.9142240744597663,3.912580108266129,3.911847682077733,3.9117044104780456,3.911664826839834,2.54,0.5956424350960913,0.37118120403607197,0.30766040267933653,0.28680940924538445,0.27958306447721354,0.27711203722988326,0.2762900541330646,0.27592384103886636,0.27585220523902276,0.275832413419917,2.48,4.424357564903908,4.648818795963928,4.712339597320663,4.7331905907546155,4.740416935522786,4.742887962770117,4.743709945866935,4.744076158961133,4.744147794760977,4.744167586580083,third
+275,13.24,95,4.0127436060421075e+17,3.84,1.3454723665996355,43.0,Ring,Base,1,0.3614896514451364,0.23576790539987325,9.92,2.203986163240619,1.9688289670190215,1.9498786523085165,1.9481155505222194,1.9472470989070487,1.946816454743324,1.949550804442764,1.9469108513688786,1.9468826342949526,1.9491139589391953,3.97,3.97,3.97,3.97,3.97,3.97,3.97,3.97,3.97,3.97,3.97,1.83,5.688006918379691,5.80558551649049,5.815060673845743,5.815942224738891,5.816376450546477,5.816591772628339,5.815224597778618,5.816544574315562,5.816558682852525,5.815443020530403,second
+279,8.49,97,4.436624322813545e+17,0.62,-0.4780358009429998,179.3,Branched,Enzyme,1,0.3061726247026518,0.2149859663655424,3.03,2.9057503974194057,2.8618323140188924,2.8455412888193945,2.839648698070863,2.837253452770609,2.836588700226733,2.836121756615407,2.836093048415331,2.8360840774693257,2.836024170691083,0.71,0.5857503974194055,0.5418323140188924,0.5255412888193945,0.5196486980708628,0.5172534527706094,0.5165887002267334,0.5161217566154073,0.5160930484153312,0.5160840774693258,0.5160241706910835,1.89,2.0142496025805943,2.0581676859811076,2.0744587111806054,2.080351301929137,2.082746547229391,2.083411299773267,2.083878243384593,2.083906951584669,2.0839159225306743,2.083975829308917,second
+273,10.4,90,2.6877188190751222e+17,0.97,-0.030459207484708574,90.3,Unknown,Enzyme,0,1.6164076494546002,1.1980696984136991,9.29,9.029999436507977,9.029999124305927,9.030000075693465,9.030003176594256,9.030001271093814,9.030000273442573,9.029999172939831,9.029997861353506,9.030001307204909,9.030002707359461,0.13,-2.817460114910133e-07,-4.3784703499223346e-07,3.784673502782027e-08,1.588297134058749e-06,6.355469122700697e-07,1.3672129431544286e-07,-4.1353007702831683e-07,-1.06932323907411e-06,6.536024618582165e-07,1.3536797398327197e-06,4.52,4.650000281746011,4.650000437847035,4.649999962153267,4.649998411702871,4.649999364453092,4.649999863278713,4.650000413530083,4.650001069323246,4.649999346397545,4.6499986463202685,third
+277,6.61,99,3.1633517325000628e+16,3.91,1.3635373739972745,114.7,Linear,Enzyme,1,0.006772907926654358,0.0034757027767961064,3.87,3.8714528245230464,3.872778481982788,3.8739879370054213,3.8750912974351848,3.8760979439043584,3.8770161187449617,3.8778533686914582,3.8786167444291735,3.8793128005942963,3.879947595773879,0.09,0.09072641226152314,0.09138924099139398,0.0919939685027105,0.0925456487175923,0.0930489719521789,0.09350805937248063,0.09392668434572887,0.09430837221458653,0.09465640029714802,0.09497379788693931,2.9,2.8992735877384765,2.898610759008606,2.8980060314972893,2.897454351282408,2.896951028047821,2.8964919406275196,2.896073315654271,2.8956916277854137,2.895343599702852,2.8950262021130606,third
+279,9.86,90,4.073251975145722e+17,3.48,1.247032293786383,99.7,Ring,Base,1,5.747101070198496,4.183026308205567,1.25,1.4866804623767278,1.4852239976737285,1.4869798403072514,1.4848746270883268,1.4873232075044147,1.4864273612712622,1.4871907804881428,1.4885227486139283,1.4861675326773915,1.4865729712063183,3.26,3.26,3.26,3.26,3.26,3.26,3.26,3.26,3.26,3.26,3.26,2.28,2.043319537623271,2.044776002326271,2.0430201596927478,2.0451253729116723,2.042676792495584,2.0435726387287363,2.0428092195118555,2.04147725138607,2.0438324673226074,2.043427028793681,first
+270,10.57,90,1.2679896959242288e+17,1.87,0.6259384308664954,158.7,Ring,Base,0,0.4908402865837147,0.26053455837265266,2.61,0.3776490497603133,0.2128448912350979,0.14903548009886453,0.11478747698184966,0.09352955780386213,0.07888538835610731,0.06832910207671991,0.060195670535089216,0.053810060344315847,0.04865754423596864,3.79,2.6738245248801564,2.5914224456175488,2.559517740049432,2.542393738490925,2.5317647789019313,2.524442694178054,2.5191645510383602,2.515097835267545,2.511905030172158,2.509328772117984,2.26,3.3761754751198434,3.458577554382451,3.490482259950568,3.507606261509075,3.5182352210980685,3.525557305821946,3.5308354489616396,3.534902164732455,3.5380949698278417,3.5406712278820156,third
+274,1.24,96,2.281945491045357e+17,3.67,1.3001916620664788,131.0,Unknown,Base,1,0.11388238160995844,0.0889646151182525,5.35,2.9799135265491667,2.293354541785756,2.0225537248212446,1.9032861722702346,1.8468117550731156,1.820616791614701,1.8074607649690047,1.8018294590410557,1.7985640794616125,1.7970955775713933,4.41,4.41,4.41,4.41,4.41,4.41,4.41,4.41,4.41,4.41,4.41,2.35,3.5350432367254165,3.878322729107122,4.013723137589378,4.073356913864883,4.101594122463442,4.114691604192649,4.121269617515498,4.124085270479473,4.125717960269194,4.126452211214303,second
+279,13.48,100,9.995346537828435e+16,1.73,0.5481214085096876,172.1,Linear,Base,0,0.018924676994978386,0.012481821656458371,6.22,5.2341127376163294,4.518226985752565,3.972782980178126,3.5482023186815046,3.20827048087418,2.9247300199544997,2.686471704967879,2.4847493403729297,2.311685523273557,2.160904124450872,2.52,2.52,2.52,2.52,2.52,2.52,2.52,2.52,2.52,2.52,2.52,2.27,2.762943631191835,3.1208865071237173,3.393608509910937,3.605898840659248,3.77586475956291,3.91763499002275,4.0367641475160605,4.137625329813535,4.2241572383632215,4.299547937774564,second
+279,8.61,95,1.0910247729613107e+17,4.19,1.4327007339340465,153.3,Unknown,Enzyme,1,0.17832149681144452,0.09441154264792849,4.02,1.4616416341800507,1.3996723188602518,1.395054182463972,1.3944793206081867,1.3941911356182313,1.3959565480238065,1.3941808161142915,1.3945015461049588,1.395115881180504,1.3954088822454955,3.35,3.35,3.35,3.35,3.35,3.35,3.35,3.35,3.35,3.35,3.35,4.25,5.102786121939983,5.123442560379916,5.124981939178675,5.12517355979727,5.125269621460588,5.12468115065873,5.125273061295235,5.125166151298346,5.124961372939831,5.124863705918167,third
+272,4.3,100,2.6389170905153488e+17,0.51,-0.6733445532637656,90.6,Linear,Enzyme,0,0.016474809031189253,0.009201419660041654,3.93,3.8785430426858207,3.8277598305483345,3.7776415375478236,3.728179458771411,3.6793650085846776,3.631189709342825,3.583645191366836,3.5367231929434757,3.490415560325292,3.444714247730614,1.47,1.47,1.47,1.47,1.47,1.47,1.47,1.47,1.47,1.47,1.47,0.28,0.3314569573141792,0.38224016945166545,0.4323584624521766,0.48182054122858925,0.5306349914153224,0.5788102906571753,0.6263548086331642,0.6732768070565245,0.7195844396747082,0.7652857522693861,first
+276,5.78,95,3.5804671543730016e+17,2.54,0.9321640810304452,180.1,Branched,Enzyme,0,0.3749521415489533,0.3061906356083452,6.07,0.7419865456438022,0.5261531957705508,0.4303095719379074,0.37277512200071694,0.3336406486320122,0.3044648603109156,0.2820705296277239,0.26395714221732985,0.24881729535671435,0.23601626264433004,4.43,4.43,4.43,4.43,4.43,4.43,4.43,4.43,4.43,4.43,4.43,4.5,6.2760044847854,6.34794893474315,6.379896809354031,6.3990749593330944,6.412119783789329,6.421845046563028,6.429309823457425,6.43534761926089,6.440394234881095,6.444661245785223,third
+271,6.2,93,1.265435735072271e+17,0.5,-0.6931471805599453,44.0,Ring,Base,1,0.149986444319653,0.07722025263800897,1.54,1.5382384103041153,1.5367675281100799,1.5355429133987186,1.5345247813958365,1.5336768330350954,1.5329671596716639,1.5323744488749995,1.5318809056228984,1.531470148639835,1.531127514680476,3.22,3.22,3.22,3.22,3.22,3.22,3.22,3.22,3.22,3.22,3.22,2.96,2.961761589695884,2.9632324718899197,2.964457086601281,2.9654752186041633,2.966323166964904,2.967032840328336,2.9676255511250003,2.9681190943771014,2.968529851360165,2.968872485319524,first
+276,2.91,91,1.886641483918609e+17,2.12,0.7514160886839212,197.4,Unknown,Acid,0,1.1292149874386495,0.8532383564704686,2.14,0.4222363694785643,0.30128394049566765,0.24687045227122092,0.2141943564350106,0.19173063965025167,0.17508882080288984,0.16228742612910788,0.15184479363556072,0.14316336408624697,0.1358189277001801,3.21,3.21,3.21,3.21,3.21,3.21,3.21,3.21,3.21,3.21,3.21,3.82,4.392587876840478,4.432905353168111,4.451043182576259,4.461935214521663,4.469423120116583,4.474970393065703,4.479237524623631,4.48271840212148,4.485612211971251,4.488060357433273,third
+276,1.33,100,3.5999983251180563e+17,1.67,0.5128236264286637,176.4,Unknown,Acid,0,0.042660363921125606,0.03434943872422347,9.66,9.335882931343873,9.022640818072645,8.719908744368656,8.427332945881648,8.144573528425905,7.871302274455225,7.607201026416872,7.351961686751568,7.1052862178935,6.866886642270315,4.64,4.64,4.64,4.64,4.64,4.64,4.64,4.64,4.64,4.64,4.64,1.59,1.59,1.59,1.59,1.59,1.59,1.59,1.59,1.59,1.59,1.59,first
+274,9.83,96,3.040090238475522e+17,2.53,0.9282193027394288,114.8,Branched,None,1,0.15171822378113828,0.09200429312528265,1.02,0.9301793317563343,0.8726662939590334,0.8348098945107613,0.8100693578489508,0.7939941499360764,0.7828504312635006,0.7754645142190758,0.7707637595504135,0.7675151028340793,0.7652657582329587,2.18,2.0901793317563344,2.0326662939590334,1.9948098945107613,1.970069357848951,1.9539941499360765,1.9428504312635004,1.9354645142190758,1.9307637595504135,1.9275151028340791,1.9252657582329584,2.15,2.2398206682436657,2.2973337060409666,2.3351901054892386,2.359930642151049,2.3760058500639234,2.3871495687364996,2.3945354857809242,2.3992362404495866,2.402484897165921,2.4047342417670414,second
+270,8.42,93,3.6535391312798144e+17,0.65,-0.4307829160924542,90.9,Branched,Base,1,0.37164850410916317,0.32514211131434534,5.59,2.4248726393002142,2.330253725748614,2.3258213242080927,2.3251259884775517,2.323774486326453,2.325482348244624,2.3265261373962423,2.327519074926539,2.3284305414938777,2.3266724713266758,2.99,2.99,2.99,2.99,2.99,2.99,2.99,2.99,2.99,2.99,2.99,4.55,6.132563680349893,6.179873137125693,6.182089337895953,6.182437005761224,6.183112756836773,6.182258825877688,6.181736931301879,6.1812404625367305,6.1807847292530615,6.181663764336662,second
+276,7.24,99,4.606184448918111e+17,1.34,0.29266961396282004,194.5,Branched,None,0,0.08439687369962627,0.04739871802499093,8.52,1.5485909158306665,1.1044491823887608,0.9037641432929775,0.784136607667202,0.701562451015926,0.6412756226348219,0.5937179350194955,0.5553831928141031,0.5237997207854745,0.49702630270476905,0.63,0.63,0.63,0.63,0.63,0.63,0.63,0.63,0.63,0.63,0.63,3.68,6.003803028056444,6.151850272537079,6.218745285569007,6.258621130777599,6.2861458496613585,6.306241459121726,6.322094021660168,6.334872269061965,6.345400093071508,6.354324565765077,third
+271,12.92,92,1.1695277043683005e+17,2.15,0.7654678421395714,47.9,Branched,Base,0,0.21606137706120462,0.16493176733465226,8.73,5.2816993731523985,5.270095991549756,5.270000675401935,5.270000703823528,5.270003985783611,5.270000208095436,5.270000465262738,5.269997187081975,5.270002737457015,5.270000609511256,1.73,0.005849686576198954,4.799577487787926e-05,3.3770096767570484e-07,3.519117638566877e-07,1.992891805617662e-06,1.0404771792941438e-07,2.326313690993398e-07,-1.4064590126337615e-06,1.3687285077323757e-06,3.0475562824508666e-07,0.8,2.524150313423801,2.5299520042251222,2.5299996622990326,2.529999648088236,2.5299980071081944,2.5299998959522823,2.529999767368631,2.5300014064590126,2.5299986312714924,2.529999695244372,third
+273,5.54,97,2.506484910490196e+17,2.44,0.8919980393051105,119.3,Unknown,Acid,0,0.0689976091331494,0.05202034583608342,7.83,7.409510733908143,7.011602877072973,6.635061561215557,6.2787276696786005,5.941529857191961,5.622450639363441,5.3205187663684255,5.03480922294988,4.764443228418354,4.508588236651977,2.45,2.45,2.45,2.45,2.45,2.45,2.45,2.45,2.45,2.45,2.45,3.24,3.24,3.24,3.24,3.24,3.24,3.24,3.24,3.24,3.24,3.24,first
+276,2.87,97,7.257601577133178e+16,1.91,0.6471032420585384,171.1,Branched,Acid,0,0.031790965110635706,0.01778557765512864,2.94,2.866170473002304,2.7941949607608074,2.7240269046337193,2.655620857509874,2.5889325963019543,2.5239190676552723,2.4605382313897612,2.3987490601636976,2.3385115394736995,2.27978666765473,4.15,4.15,4.15,4.15,4.15,4.15,4.15,4.15,4.15,4.15,4.15,4.07,4.07,4.07,4.07,4.07,4.07,4.07,4.07,4.07,4.07,4.07,first
+276,6.29,100,4.994566963947576e+17,1.5,0.4054651081081644,198.7,Ring,Base,0,0.05918615095562516,0.036382652505728766,7.87,3.392135096264035,2.6202414714650537,2.2552439467852476,2.032879005733531,1.8808936791505921,1.7686447950338389,1.6828079174456254,1.6139004221401008,1.557405051324853,1.5102858809126258,3.38,1.1410675481320174,0.7551207357325267,0.5726219733926238,0.4614395028667655,0.3854468395752961,0.3293223975169195,0.2864039587228127,0.25195021107005033,0.2237025256624265,0.20014294045631287,4.86,7.098932451867982,7.484879264267472,7.667378026607375,7.778560497133234,7.854553160424704,7.91067760248308,7.953596041277187,7.988049788929949,8.016297474337573,8.039857059543687,third
+277,11.34,100,4.665499004634409e+17,3.13,1.1410330045520618,65.2,Branched,Acid,0,0.06470625587283588,0.050047203803590665,5.63,5.345977598171804,5.076283649457875,4.820194359274145,4.57701732023416,4.34610798478796,4.1268527504301,3.9186645861817575,3.720983032590724,3.5332742017314134,3.355030777204857,0.54,0.54,0.54,0.54,0.54,0.54,0.54,0.54,0.54,0.54,0.54,4.98,4.98,4.98,4.98,4.98,4.98,4.98,4.98,4.98,4.98,4.98,first
+278,2.74,100,1.2196905681828846e+17,3.67,1.3001916620664788,34.9,Branched,Base,1,0.019775714983844138,0.01381852015132812,3.45,3.4878041067484924,3.523103364454795,3.556030453228752,3.586712421228714,3.6152716725761023,3.641828359251702,3.66650038109566,3.689403385807485,3.7106507689460497,3.7303536739295886,0.11,0.14780410674849223,0.18310336445479491,0.21603045322875186,0.24671242122871373,0.27527167257610224,0.3018283592517019,0.3265003810956596,0.34940338580748476,0.3706507689460495,0.3903536739295884,4.08,4.042195893251508,4.006896635545204,3.9739695467712477,3.9432875787712858,3.914728327423897,3.888171640748298,3.86349961890434,3.8405966141925147,3.81934923105395,3.799646326070411,second
+273,3.52,94,1.4382739425450632e+17,0.85,-0.16251892949777494,89.3,Unknown,Base,0,0.14846986870889065,0.12888022519464729,3.85,1.2462751775141903,0.8153709398475459,0.6183430126165805,0.502439136436559,0.42544322198510565,0.3698039125438971,0.32749566804270275,0.2945771252623238,0.2678528460944003,0.24561118887635194,3.22,1.918137588757095,1.702685469923773,1.6041715063082902,1.5462195682182795,1.5077216109925529,1.4799019562719484,1.4587478340213513,1.442288562631162,1.4289264230472,1.417805594438176,0.01,1.311862411242905,1.527314530076227,1.6258284936917098,1.6837804317817204,1.7222783890074471,1.7500980437280516,1.7712521659786487,1.787711437368838,1.8010735769528,1.812194405561824,third
+270,7.46,93,2.329440548985577e+16,4.96,1.601405740736836,142.6,Unknown,Enzyme,1,0.023695738962523603,0.014788340988570205,2.42,2.1113069816791583,1.9093421151839995,1.7664468978293748,1.6631120267672008,1.5859067515008751,1.5255562086856316,1.4787408841936693,1.4423946977437183,1.413657258785211,1.390236295666185,2.13,1.975653490839579,1.8746710575919998,1.8032234489146872,1.7515560133836001,1.7129533757504374,1.6827781043428156,1.6593704420968345,1.641197348871859,1.6268286293926053,1.6151181478330923,3.6,3.754346509160421,3.855328942408,3.9267765510853123,3.9784439866163996,4.017046624249563,4.0472218956571835,4.070629557903165,4.08880265112814,4.103171370607394,4.114881852166907,third
+275,3.81,99,3.846619049672482e+17,1.46,0.37843643572024505,111.3,Unknown,None,1,0.0602461935672579,0.044800501163625904,5.73,4.228490813118752,3.8544628458255423,3.709309494770496,3.6450715623979577,3.614938065664391,3.6005550999780915,3.593670625770382,3.590222937102116,3.588634759793626,3.587817162249442,1.16,0.4092454065593759,0.22223142291277098,0.14965474738524795,0.11753578119897885,0.10246903283219531,0.09527754998904578,0.09183531288519105,0.09011146855105799,0.08931737989681295,0.08890858112472107,0.46,1.210754593440624,1.397768577087229,1.4703452526147522,1.5024642188010213,1.5175309671678048,1.5247224500109544,1.5281646871148091,1.529888531448942,1.5306826201031871,1.531091418875279,third
+278,7.55,91,3.764392650904876e+16,4.38,1.4770487243883548,46.4,Ring,Acid,0,0.2997008799412127,0.19919516247437383,3.72,0.5187021903731555,0.2932654223395328,0.20588302437823647,0.15897421207905482,0.12956557515626685,0.10947815996674433,0.09483058883903128,0.08358044113780574,0.07479096502404482,0.0676887640500251,4.77,3.1693510951865775,3.0566327111697666,3.0129415121891183,2.989487106039528,2.9747827875781336,2.964739079983372,2.9574152944195156,2.951790220568903,2.9473954825120225,2.943844382025013,2.76,4.360648904813423,4.473367288830234,4.517058487810882,4.540512893960473,4.5552172124218675,4.5652609200166285,4.572584705580485,4.578209779431098,4.582604517487978,4.586155617974987,third
+276,11.22,91,1.700635853402286e+17,1.18,0.16551443847757333,194.0,Ring,None,0,1.0178846962745076,0.5649971325617625,6.85,6.830000530877304,6.829999908000428,6.83000021855687,6.8299989978282545,6.830001501455402,6.829999046089619,6.830000888657354,6.829999054526409,6.830003048839731,6.830001102760326,0.01,2.654386520083372e-07,-4.599978688004609e-08,1.0927843369515832e-07,-5.010858742964962e-07,7.507277000266116e-07,-4.76955191167544e-07,4.443286756991439e-07,-4.7273679587015896e-07,1.5244198647698215e-06,5.513801633335324e-07,1.63,1.6399997345613482,1.6400000459997872,1.6399998907215665,1.640000501085875,1.6399992492723008,1.6400004769551921,1.6399995556713254,1.640000472736797,1.6399984755801364,1.6399994486198382,third
+272,5.0,100,3.892318565972432e+17,1.04,0.03922071315328133,46.2,Ring,Enzyme,0,0.024299818017558615,0.014594474821301339,8.42,8.400560145585953,8.381120291171905,8.36168043675786,8.342240582343813,8.322800727929765,8.30336087351572,8.283921019101673,8.264481164687625,8.245041310273578,8.22560145585953,2.45,2.45,2.45,2.45,2.45,2.45,2.45,2.45,2.45,2.45,2.45,0.53,0.549439854414047,0.5688797088280938,0.5883195632421407,0.6077594176561876,0.6271992720702345,0.6466391264842815,0.6660789808983283,0.6855188353123752,0.7049586897264222,0.724398544140469,zero
+276,11.77,94,6.991138491395784e+16,4.74,1.556037135706985,139.9,Unknown,None,0,0.11320010435133096,0.061365819700607054,1.18,1.0633215874374728,0.9674124548434677,0.8869283285887934,0.8185684091414794,0.760250555538152,0.7100498611719454,0.6661928793416465,0.627057623251694,0.5917964096609586,0.5602083232019807,1.21,1.0933215874374729,0.9974124548434677,0.9169283285887935,0.8485684091414795,0.790250555538152,0.7400498611719454,0.6961928793416465,0.657057623251694,0.6217964096609586,0.5902083232019807,2.01,2.126678412562527,2.2225875451565322,2.3030716714112063,2.3714315908585206,2.429749444461848,2.4799501388280545,2.5238071206583537,2.562942376748306,2.5982035903390415,2.629791676798019,second
+277,1.69,93,3.376621549218265e+17,3.13,1.1410330045520618,85.0,Linear,Acid,0,0.9785593829605131,0.5441733504090236,4.08,1.8649250158103658,0.8529192470980941,0.38997083056999127,0.1782393573892717,0.08153130135118401,0.0373233155370203,0.017087006076539957,0.007814076959453704,0.003571386309344746,0.0016355122131002065,3.87,3.87,3.87,3.87,3.87,3.87,3.87,3.87,3.87,3.87,3.87,0.25,2.465074984189634,3.477080752901906,3.940029169430009,4.1517606426107285,4.248468698648816,4.292676684462979,4.31291299392346,4.3221859230405455,4.326428613690656,4.328364487786899,first
+272,2.2,96,1.1891885820233706e+17,0.68,-0.3856624808119846,49.6,Ring,Enzyme,0,0.04353410178357783,0.028873429487148522,5.58,5.545172718573138,5.510345437146276,5.475518155719413,5.44069087429255,5.405863592865688,5.371036311438826,5.336209030011964,5.301381748585102,5.266554467158239,5.231727185731377,3.24,3.24,3.24,3.24,3.24,3.24,3.24,3.24,3.24,3.24,3.24,0.28,0.3148272814268623,0.34965456285372454,0.38448184428058685,0.4193091257074491,0.45413640713431136,0.48896368856117367,0.5237909699880359,0.5586182514148982,0.5934455328417604,0.6282728142686225,zero
+276,12.81,97,2.7463865726889626e+17,2.0,0.6931471805599453,64.6,Linear,Base,0,0.12030183633635284,0.07190794184934156,6.44,5.84909537447732,5.3124094594537095,4.824710218706914,4.381583311196591,3.9792290185320485,3.614051996559721,3.2826612753631657,2.9818702592630646,2.7086967268172217,2.4603628308205656,2.76,2.76,2.76,2.76,2.76,2.76,2.76,2.76,2.76,2.76,2.76,2.85,3.4409046255226805,3.9775905405462915,4.4652897812930865,4.90841668880341,5.310770981467952,5.675948003440279,6.007338724636835,6.308129740736936,6.581303273182779,6.829637169179435,first
+274,3.79,100,4.980906922727146e+17,2.5,0.9162907318741551,187.0,Unknown,None,1,0.04294203986200887,0.0375747888675023,1.27,1.2385178376838708,1.2089996360892314,1.1813220299407712,1.1553689514268082,1.1310353222405576,1.1082214918076625,1.0868328373914304,1.0667797640928338,1.0479777048505092,1.0303471204407573,0.81,0.81,0.81,0.81,0.81,0.81,0.81,0.81,0.81,0.81,0.81,0.37,0.40148216231612927,0.43100036391076846,0.45867797005922867,0.48463104857319156,0.5089646777594422,0.5317785081923374,0.5531671626085694,0.573220235907166,0.5920222951494907,0.6096528795592426,first
+275,12.95,95,9.597454007265325e+16,0.86,-0.15082288973458366,190.1,Linear,Enzyme,0,0.08645905755411636,0.053616901532690595,8.71,1.5317559229819633,1.0920195620833288,0.8935365135633527,0.7746116380648128,0.6935209853217097,0.6335851673562161,0.5864430492844158,0.5487908847729611,0.5178087369299544,0.4913060751367144,2.09,2.09,2.09,2.09,2.09,2.09,2.09,2.09,2.09,2.09,2.09,2.2,4.5927480256726785,4.73932681263889,4.805487828812215,4.8451294539783945,4.872159671559428,4.892138277547926,4.907852316905193,4.920403038409011,4.930730421023347,4.939564641621093,third
+271,1.53,97,2.5913050219631334e+17,0.85,-0.16251892949777494,138.9,Linear,Base,0,0.052036923129683575,0.03359782837197755,6.92,1.9261131952810584,1.388415856394145,1.1419169840252932,0.9919806796926315,0.889453383136138,0.8125631287050951,0.7533411603417047,0.7054953029566767,0.6653478836792943,0.6313583840202034,1.53,1.53,1.53,1.53,1.53,1.53,1.53,1.53,1.53,1.53,1.53,3.8,5.4646289349063135,5.643861381201951,5.726027671991569,5.7760064401024565,5.810182205621287,5.835812290431635,5.855552946552765,5.871501565681108,5.884884038773568,5.8962138719932655,third
+278,10.57,92,9.58679722746774e+16,2.43,0.8878912573524571,134.3,Linear,Enzyme,1,0.49518270520669233,0.4348721910908161,4.11,3.7002938202801543,3.5107051037156807,3.417591405062927,3.373761231776427,3.352599794817253,3.343293768203952,3.3378518070981005,3.336204554968567,3.335154308253639,3.334458605786973,4.5,4.5,4.5,4.5,4.5,4.5,4.5,4.5,4.5,4.5,4.5,3.02,3.4297061797198456,3.619294896284319,3.712408594937073,3.756238768223573,3.777400205182747,3.786706231796048,3.7921481929018994,3.793795445031433,3.794845691746361,3.7955413942130267,first
+274,3.42,93,4.855040603750058e+17,1.08,0.0769610411361284,134.9,Branched,Enzyme,0,0.904225840157868,0.6522171610665879,4.9,2.374291256593334,1.1539980473857776,0.5607687345429876,0.27211316495621785,0.13198464052163517,0.06410742714895065,0.031152636448156846,0.015113096762506592,0.007331353346182027,0.003563976454973826,1.94,1.94,1.94,1.94,1.94,1.94,1.94,1.94,1.94,1.94,1.94,3.61,3.61,3.61,3.61,3.61,3.61,3.61,3.61,3.61,3.61,3.61,first
+271,8.66,90,2.5158645955676368e+17,2.72,1.000631880307906,163.9,Unknown,Acid,0,1.1291803460363854,0.8825484647937129,3.21,0.16944506085552014,0.08948021118633466,0.0609719052102676,0.04630393235215704,0.037330030071933105,0.031274277247868305,0.026899571735152103,0.02363330107146145,0.021052646160811355,0.018977518338765667,4.47,2.9497225304277594,2.909740105593167,2.8954859526051333,2.888151966176078,2.883665015035966,2.880637138623934,2.8784497858675757,2.87681665053573,2.8755263230804053,2.8744887591693824,4.22,5.7402774695722405,5.780259894406833,5.794514047394867,5.801848033823922,5.806334984964034,5.8093628613760675,5.811550214132425,5.81318334946427,5.814473676919596,5.815511240830618,third
+280,12.92,97,2.747488019623899e+17,2.07,0.7275486072772777,21.3,Linear,Base,0,0.22014586439183348,0.12512824923436847,8.8,5.859419037385392,5.104150025402576,4.828688750890303,4.715955701299552,4.667693046850623,4.646627261046444,4.637351194995484,4.6332504593425154,4.631437651153695,4.630637329377602,4.17,1.229419037385391,0.47415002540257445,0.19868875089030225,0.0859557012995503,0.03769304685062193,0.016627261046441993,0.0073511949954828334,0.003250459342513504,0.001437651153694076,0.0006373293775999531,0.29,3.2305809626146087,3.985849974597425,4.261311249109697,4.374044298700449,4.422306953149378,4.443372738953557,4.452648805004516,4.456749540657485,4.458562348846305,4.459362670622399,second
+279,13.19,97,4.337528997076286e+17,0.9,-0.10536051565782628,48.8,Unknown,Acid,1,0.29933402991320157,0.243272539358989,2.15,1.6202916766912525,1.5318241685403169,1.5150684477272478,1.511680526808185,1.5113857106441573,1.5109423599573548,1.511105409257053,1.5096371185287325,1.5128872674415577,1.5116632673670227,3.5,3.5,3.5,3.5,3.5,3.5,3.5,3.5,3.5,3.5,3.5,2.49,2.7548541616543742,2.799087915729842,2.8074657761363766,2.809159736595908,2.8093071446779216,2.8095288200213226,2.8094472953714735,2.810181440735634,2.8085563662792215,2.809168366316489,second
+276,13.6,93,2.2539485724910976e+17,1.91,0.6471032420585384,87.8,Branched,None,0,0.5642943499986149,0.31762601910040644,7.59,7.138564520001108,6.687129040002215,6.235693560003323,5.784258080004431,5.33282260000554,4.8813871200066465,4.429951640007754,3.978516160008862,3.5270806800099694,3.075645200011077,4.13,4.13,4.13,4.13,4.13,4.13,4.13,4.13,4.13,4.13,4.13,4.55,5.001435479998892,5.452870959997784,5.9043064399966765,6.355741919995568,6.80717739999446,7.258612879993353,7.7100483599922445,8.161483839991138,8.61291931999003,9.064354799988923,zero
+273,4.42,92,1.771512340494797e+17,1.12,0.11332868530700327,81.8,Unknown,Base,0,0.441393639323823,0.22780905519500724,2.84,2.4868850885409417,2.1337701770818827,1.7806552656228247,1.4275403541637663,1.074425442704708,0.7213105312456494,0.36819561978659054,0.015080708327531944,-0.33803420313152754,-0.6911491145905866,3.63,3.63,3.63,3.63,3.63,3.63,3.63,3.63,3.63,3.63,3.63,2.81,3.163114911459058,3.5162298229181173,3.869344734377175,4.222459645836233,4.575574557295292,4.92868946875435,5.281804380213409,5.6349192916724675,5.9880342031315275,6.3411491145905865,zero
+277,11.03,100,1.2915910623580366e+17,0.84,-0.1743533871447778,71.2,Unknown,Acid,0,0.017913201070451402,0.009961446322589423,8.32,8.201619985281969,8.084924325085709,7.969889054060233,7.856490543621611,7.744705500847686,7.634510981627596,7.5258843593156595,7.418803321966029,7.313245872332688,7.20919032786945,1.35,1.35,1.35,1.35,1.35,1.35,1.35,1.35,1.35,1.35,1.35,3.44,3.44,3.44,3.44,3.44,3.44,3.44,3.44,3.44,3.44,3.44,first
+270,6.87,97,2.9279445758040294e+17,3.76,1.324418957401803,59.1,Unknown,None,1,0.05013107408565117,0.0381695147884692,3.53,2.823930698576236,2.393041263396657,2.1082426580329163,1.9131872539941321,1.7723256214219347,1.6704127000465772,1.5953802966264443,1.5381706859880602,1.4948572399852147,1.4618489854441468,2.14,2.14,2.14,2.14,2.14,2.14,2.14,2.14,2.14,2.14,2.14,1.3,1.653034650711882,1.8684793683016714,2.0108786709835416,2.108406373002934,2.1788371892890326,2.229793649976711,2.2673098516867776,2.29591465700597,2.3175713800073927,2.3340755072779267,second
+273,11.55,95,1.6909763338675763e+17,1.23,0.20701416938432612,74.5,Linear,Acid,0,0.11235480580489729,0.081414834899113,4.51,4.1704993714938405,4.107387335617038,4.09385210363718,4.090855072186017,4.090190698727732,4.090042938752567,4.090009816705107,4.090001998291148,4.090000596838251,4.0900002443966645,0.21,0.04024968574692,0.00869366780851933,0.001926051818589596,0.0004275360930078425,9.534936386603252e-05,2.1469376283237934e-05,4.90835255369155e-06,9.991455740955947e-07,2.9841912543744037e-07,1.2219833237734456e-07,2.91,3.0797503142530798,3.111306332191481,3.11807394818141,3.1195724639069917,3.119904650636134,3.1199785306237167,3.1199950916474464,3.119999000854426,3.1199997015808747,3.1199998778016678,third
+273,12.93,95,2.0528019744667338e+17,4.81,1.5706970841176697,78.7,Branched,Enzyme,0,0.13639585757513129,0.08627457079474189,7.05,6.337427450381285,6.330094142494073,6.330001117200928,6.330000382990096,6.330003044379553,6.330000133337289,6.329999589766572,6.33000218490287,6.33000064635759,6.330000160160091,0.36,0.003713725190643345,4.707124703725533e-05,5.586004643507428e-07,1.914950480615165e-07,1.5221897771746164e-06,6.66686447928688e-08,-2.0511671302935378e-07,1.0924514359419411e-06,3.231787953617759e-07,8.008004583933984e-08,2.45,2.8062862748093576,2.8099529287529634,2.809999441399536,2.8099998085049522,2.8099984778102236,2.8099999333313557,2.810000205116714,2.809998907548565,2.809999676821205,2.809999919919955,third
+276,12.02,93,3.6603900585575674e+17,1.23,0.20701416938432612,90.5,Branched,Enzyme,0,0.9164084105753451,0.8091951507765601,3.06,0.4718792495495718,0.3357649736099254,0.2746219298006538,0.23825141575671166,0.21306807757746318,0.19470697451129867,0.18031554741459455,0.16865116594016458,0.15902099499040662,0.15086794698301514,4.49,4.49,4.49,4.49,4.49,4.49,4.49,4.49,4.49,4.49,4.49,0.24,1.1027069168168095,1.1480783421300251,1.1684593567331156,1.1805828614144298,1.1889773074741792,1.1950976751629008,1.1998948175284687,1.2037829446866122,1.2069930016698647,1.2097106843389953,third
+280,12.07,93,1.9633858903456086e+17,3.7,1.308332819650179,171.5,Unknown,Enzyme,0,0.8770341079866553,0.6979069215297536,3.51,0.4838699403449574,0.343907161544186,0.28106733612207063,0.24366356739010567,0.2179705280386264,0.19918120851415988,0.1843429117295969,0.1724310520542608,0.16264334643405154,0.15433765031305388,1.34,1.34,1.34,1.34,1.34,1.34,1.34,1.34,1.34,1.34,1.34,4.29,5.2987100198850134,5.3453642794852705,5.366310887959308,5.378778810869963,5.387343157320457,5.3936062638286115,5.398552362756799,5.402522982648578,5.4057855511886475,5.408554116562313,third
+271,4.57,97,1.8719400957624326e+17,4.12,1.415853163361435,115.3,Unknown,Base,0,0.03759109870931593,0.027895010176566107,8.5,8.248185886030708,8.003831822660867,7.766716797785891,7.536625879234467,7.313351284264773,7.096691623532785,6.886451024265076,6.682439130258819,6.484471101881787,6.292367616072351,1.43,1.43,1.43,1.43,1.43,1.43,1.43,1.43,1.43,1.43,1.43,1.42,1.42,1.42,1.42,1.42,1.42,1.42,1.42,1.42,1.42,1.42,first
+270,1.44,94,3.1267669314897754e+17,0.61,-0.4942963218147801,27.6,Unknown,Enzyme,1,0.20372555949451873,0.13042342601275997,8.16,1.572578311240816,1.5434293420524092,1.5429095142278642,1.542625058214765,1.5427936702356617,1.5434890893619717,1.5440612357701013,1.5447223199699054,1.5451231739904545,1.544347074818465,1.6,1.6,1.6,1.6,1.6,1.6,1.6,1.6,1.6,1.6,1.6,3.53,5.725807229586395,5.735523552649198,5.735696828590713,5.735791647261746,5.735735443254781,5.735503636879344,5.735312921409968,5.735092560010034,5.734958942003184,5.735217641727179,third
+277,11.26,100,4.8867300005658246e+17,2.04,0.712949807856125,66.8,Branched,None,1,0.06777452990215639,0.0351759900497758,1.24,1.20163514128793,1.1699652411486416,1.143713737039732,1.121693798114226,1.1033171107475739,1.0881444383378045,1.0757078307720809,1.0655106244267012,1.0570274421670969,1.0497041933478348,1.85,1.8116351412879301,1.7799652411486417,1.753713737039732,1.7316937981142262,1.713317110747574,1.6981444383378046,1.685707830772081,1.6755106244267013,1.667027442167097,1.659704193347835,2.92,2.95836485871207,2.9900347588513583,3.0162862629602682,3.038306201885774,3.0566828892524263,3.0718555616621956,3.0842921692279193,3.094489375573299,3.1029725578329033,3.1102958066521653,second
+277,8.13,97,3.96512398022515e+17,2.4,0.8754687373538999,170.2,Branched,None,0,0.20232217999135244,0.12842269397770098,7.44,6.328182689990975,5.382072624164325,4.5771230787650765,3.8932126764408035,3.312158379731965,2.817674743815193,2.3964620601771895,2.0382733037243197,1.733807495287446,1.4748295431803633,0.77,0.77,0.77,0.77,0.77,0.77,0.77,0.77,0.77,0.77,0.77,0.42,1.5318173100090253,2.4779273758356766,3.2828769212349243,3.9667873235591973,4.547841620268036,5.0423252561848075,5.463537939822811,5.821726696275681,6.126192504712555,6.385170456819638,first
+275,3.62,98,2.025233714206505e+17,0.81,-0.21072103131565253,167.5,Ring,None,0,0.04912206200897248,0.04182392962795319,6.64,4.372939481058762,3.2619146525882385,2.598682858621498,2.157704993845283,1.8478455074776936,1.613056248600344,1.4318947345134905,1.2885429256513694,1.1704675330838406,1.0718640260841945,2.91,2.91,2.91,2.91,2.91,2.91,2.91,2.91,2.91,2.91,2.91,3.82,4.953530259470618,5.50904267370588,5.840658570689251,6.0611475030773585,6.216077246261153,6.333471875699828,6.424052632743254,6.4957285371743145,6.554766233458079,6.604067986957902,second
+271,3.6,90,1.0691678619154909e+17,4.07,1.4036429994545037,166.6,Branched,Base,0,0.47986816874630944,0.3571902390258212,4.52,2.491514532387391,2.0107510289096555,1.8238965464323094,1.7381025715418181,1.6956668700643331,1.6739200227919915,1.6626274969006223,1.6566877061612872,1.6535403616811382,1.6518811897811472,2.87,0.8415145323873919,0.3607510289096562,0.17389654643231012,0.08810257154181886,0.04566687006433388,0.02392002279199211,0.012627496900622873,0.006687706161287896,0.003540361681138706,0.0018811897811477768,2.19,4.218485467612608,4.699248971090344,4.88610345356769,4.971897428458181,5.0143331299356655,5.036079977208008,5.047372503099377,5.053312293838712,5.056459638318861,5.058118810218852,second
+276,8.45,91,3.87442273814211e+17,1.93,0.6575200029167941,57.8,Ring,Base,0,2.318965347086529,2.0490880934053037,1.43,0.294166176778418,0.21006788490985379,0.17221662900430695,0.14933994687833319,0.1337858422468164,0.12213428747110563,0.11317260413685316,0.10595398078800461,0.09989647419441641,0.094771593441758,0.91,0.91,0.91,0.91,0.91,0.91,0.91,0.91,0.91,0.91,0.91,3.46,3.838611274407194,3.866644038363382,3.8792611236652315,3.886886684373889,3.892071385917728,3.895955237509632,3.898942465287716,3.9013486730706655,3.9033678419351947,3.9050761355194146,third
+280,12.23,92,5.353842993708044e+16,2.7,0.9932517730102834,36.5,Linear,Enzyme,0,0.36748149306762423,0.27227403018748636,6.12,4.5611280110779,3.398883818707299,2.5315033419567357,1.8879818747893098,1.4082815237298452,1.0487815346519462,0.7819042593590934,0.583530360398383,0.43488186360058173,0.3241340554229866,0.85,0.85,0.85,0.85,0.85,0.85,0.85,0.85,0.85,0.85,0.85,3.15,4.708871988922101,5.8711161812927015,6.738496658043265,7.38201812521069,7.8617184762701555,8.221218465348054,8.488095740640906,8.686469639601617,8.83511813639942,8.945865944577015,first
+278,6.46,94,1.7104503463495693e+17,2.9,1.0647107369924282,124.9,Linear,Acid,1,0.37187762473306124,0.2210466253634539,1.41,1.0772883544941931,0.8704593688047914,0.7414771806889384,0.6615638496118204,0.6114809535888358,0.580627282756846,0.5612297306613442,0.549169547874296,0.5418459160265592,0.5371408033005888,4.73,4.73,4.73,4.73,4.73,4.73,4.73,4.73,4.73,4.73,4.73,0.01,0.3427116455058068,0.5495406311952087,0.6785228193110617,0.7584361503881798,0.8085190464111642,0.839372717243154,0.8587702693386559,0.8708304521257041,0.8781540839734409,0.8828591966994113,first
+279,7.68,90,3.9785679577880595e+17,3.97,1.3787660946990992,120.4,Branched,Base,0,5.613507906601626,4.638465027803104,2.28,0.1923953321562217,0.1362114021164969,0.11130984587806485,0.09646381200295007,0.08626291774290548,0.07874474928579811,0.07296054844558457,0.0682377229018082,0.06432277033239554,0.06101251631838145,3.52,3.52,3.52,3.52,3.52,3.52,3.52,3.52,3.52,3.52,3.52,3.12,3.815868222614594,3.834596199294502,3.842896718040646,3.847845395999018,3.851245694085699,3.8537517502380685,3.8556798171848063,3.857254092366065,3.8585590765558693,3.8596624945605407,third
+275,10.92,96,4.457714724747904e+17,4.15,1.423108334242607,62.2,Branched,None,1,0.25930788557583406,0.1937494143542326,4.14,2.436985430155927,2.3715727687204904,2.366961632028366,2.366472564300984,2.3655953034041506,2.3679574817546443,2.366953045534737,2.366147872900552,2.365886203652725,2.367417808621262,1.54,0.6884927150779636,0.6557863843602455,0.6534808160141832,0.6532362821504921,0.6527976517020755,0.6539787408773222,0.6534765227673685,0.653073936450276,0.6529431018263624,0.6537089043106307,4.01,4.861507284922037,4.894213615639754,4.896519183985816,4.896763717849508,4.897202348297925,4.896021259122678,4.896523477232631,4.896926063549723,4.897056898173637,4.896291095689369,third
+270,12.69,99,4.4138154559918163e+17,3.19,1.1600209167967532,138.7,Linear,Base,0,0.031004240384774284,0.024112376349800433,2.96,2.8874849843532853,2.816746465790276,2.7477409227642764,2.6804258503087337,2.614759853935162,2.5507026087319007,2.488214717313104,2.4272577093453744,2.36779404154776,2.309787097691756,0.12,0.12,0.12,0.12,0.12,0.12,0.12,0.12,0.12,0.12,0.12,0.23,0.23,0.23,0.23,0.23,0.23,0.23,0.23,0.23,0.23,0.23,first
+271,9.6,93,2.1382672208178896e+17,4.35,1.4701758451005926,184.8,Branched,None,0,0.2534392609336461,0.13766419115671874,2.87,0.5653532591489717,0.3275092378846136,0.2322707937351878,0.18037679065230972,0.14754258232284362,0.12498370084978036,0.10847587334529002,0.09575143635769853,0.0857751963592972,0.07769828735474005,4.4,3.2476766295744866,3.1287546189423074,3.0811353968675945,3.0551883953261556,3.0387712911614226,3.027491850424891,3.0192379366726456,3.01287571817885,3.007887598179649,3.0038491436773707,4.32,5.472323370425514,5.591245381057693,5.638864603132405,5.664811604673845,5.681228708838578,5.69250814957511,5.700762063327354,5.707124281821151,5.712112401820351,5.7161508563226295,third
+270,10.66,93,4.5593708360673696e+17,1.49,0.3987761199573678,64.4,Linear,Base,1,0.4637923093244151,0.34726168418624326,9.61,2.243333733743206,2.2352100037956304,2.2369136946698425,2.2346142103561726,2.236626912344387,2.2344958811749454,2.2357273321385875,2.2358680552748047,2.2347380464394626,2.2359453648691976,4.61,0.9266668668716036,0.9226050018978157,0.923456847334922,0.9223071051780869,0.923313456172194,0.9222479405874731,0.9228636660692943,0.9229340276374027,0.9223690232197318,0.9229726824345992,2.47,6.153333133128398,6.157394998102187,6.156543152665081,6.157692894821916,6.156686543827809,6.1577520594125295,6.157136333930708,6.1570659723626,6.15763097678027,6.157027317565403,third
+279,12.71,90,4.6807850306000826e+17,3.88,1.355835153635182,143.6,Linear,Base,1,6.604291809805957,3.3129916008311073,8.32,3.9199443388127193,3.917349803402916,3.9184757978221954,3.9141152200142537,3.9209347032550608,3.916756212931294,3.9184106381008896,3.9240301703827116,3.917548630432706,3.9196099389015018,3.13,3.13,3.13,3.13,3.13,3.13,3.13,3.13,3.13,3.13,3.13,3.41,7.81005566118728,7.812650196597083,7.811524202177804,7.815884779985746,7.809065296744938,7.813243787068706,7.81158936189911,7.805969829617288,7.8124513695672935,7.810390061098499,first
+278,13.54,99,3.179846547578323e+17,2.7,0.9932517730102834,81.7,Ring,Acid,0,0.07946755769035876,0.06654137344431375,6.45,1.5727339456658647,1.129834043103215,0.9267596089578377,0.8049081281235118,0.7208382506394455,0.6591977360077083,0.6104362677948421,0.5712145239763097,0.5389317329742932,0.5115216197502288,2.9,2.9,2.9,2.9,2.9,2.9,2.9,2.9,2.9,2.9,2.9,1.89,3.5157553514447115,3.6633886522989285,3.7310801303473875,3.7716972906254957,3.799720583120185,3.820267421330764,3.8365212440683862,3.8495951586745636,3.860356089008569,3.8694927934165904,third
+273,13.54,100,4.459408529887982e+17,4.78,1.5644405465033646,71.9,Unknown,Base,1,0.032735459648867885,0.02662033053102705,7.39,5.400044533343339,4.312620942147585,3.6378748459555696,3.185285105461121,2.8707046686969924,2.6431487965209355,2.4723233698341067,2.3445152636996176,2.2474285782630203,2.171218858882433,1.97,1.97,1.97,1.97,1.97,1.97,1.97,1.97,1.97,1.97,1.97,1.61,2.604977733328331,3.148689528926208,3.4860625770222153,3.7123574472694396,3.869647665651504,3.983425601739533,4.068838315082947,4.132742368150192,4.18128571086849,4.219390570558783,second
+272,8.95,99,4.6461178784852666e+17,1.66,0.5068176023684519,109.6,Linear,Enzyme,0,0.04513681610173186,0.024609837143976982,1.96,1.818345145082017,1.6950028127757368,1.5864932639030915,1.4901999776743093,1.4045214592129656,1.328003175497943,1.2593032471593766,1.1971924484786527,1.1405542073884103,1.0883846054725406,2.15,2.008345145082017,1.8850028127757368,1.7764932639030915,1.6801999776743093,1.5945214592129655,1.5180031754979428,1.4493032471593765,1.3871924484786526,1.3305542073884102,1.2783846054725405,4.62,4.761654854917984,4.884997187224263,4.993506736096909,5.089800022325691,5.175478540787035,5.251996824502058,5.320696752840624,5.382807551521348,5.43944579261159,5.49161539452746,second
+279,8.58,90,1.9905780465986342e+17,3.7,1.308332819650179,55.5,Ring,Acid,0,2.80857980103511,1.6341671376480875,1.35,0.14309570232742153,0.015148054750834042,0.0016049956806629163,0.0001702974229443349,1.7918191680931192e-05,2.0731653794113986e-06,3.421321169574489e-07,-1.2189631643231368e-07,-5.392563520415194e-09,1.8891533258672763e-07,0.51,0.51,0.51,0.51,0.51,0.51,0.51,0.51,0.51,0.51,0.51,1.13,1.13,1.13,1.13,1.13,1.13,1.13,1.13,1.13,1.13,1.13,first
+274,5.36,95,3.733622652709232e+17,1.97,0.6780335427498971,163.6,Linear,Acid,1,0.2890187079047085,0.1629134274146075,9.68,2.4542973064581046,2.0997543374238687,2.0569896841649595,2.051268810644494,2.0501110494350576,2.049113479131364,2.0509901862567874,2.0484379664832266,2.0520922478720656,2.0502888277489384,1.17,1.17,1.17,1.17,1.17,1.17,1.17,1.17,1.17,1.17,1.17,3.64,7.252851346770947,7.430122831288065,7.45150515791752,7.4543655946777525,7.4549444752824705,7.4554432604343175,7.454504906871605,7.455781016758386,7.4539538760639665,7.45485558612553,second
+274,12.7,99,4.884184619553635e+17,3.82,1.3402504226184837,126.8,Linear,None,1,0.06531464545833181,0.04018421611358017,7.66,7.357562924244563,7.07960416599491,6.824102571600809,6.589217695525537,6.373361873058467,6.175037675857832,5.992833505270269,5.825423592330828,5.671567997762959,5.530112611978522,4.15,4.15,4.15,4.15,4.15,4.15,4.15,4.15,4.15,4.15,4.15,2.64,2.942437075755437,3.2203958340050907,3.4758974283991915,3.710782304474463,3.9266381269415334,4.124962324142169,4.3071664947297315,4.474576407669173,4.628432002237042,4.769887388021479,first
+270,13.31,98,4.289453225147998e+17,4.44,1.4906543764441336,134.1,Linear,Acid,1,0.047041100972097696,0.04058985995689105,6.28,5.767214610559873,5.398164358406414,5.125961826554273,4.920265501233329,4.761829907880339,4.639279607968577,4.543363849803896,4.46721884229851,4.406771061343027,4.358559214388339,2.6,2.087214610559873,1.7181643584064146,1.4459618265542733,1.2402655012333286,1.0818299078803388,0.9592796079685767,0.8633638498038962,0.7872188422985097,0.7267710613430263,0.6785592143883385,0.18,0.6927853894401272,1.0618356415935855,1.3340381734457267,1.5397344987666712,1.698170092119661,1.820720392031423,1.9166361501961036,1.9927811577014902,2.0532289386569733,2.1014407856116613,second
+279,1.01,100,4.766201158164113e+17,0.91,-0.09431067947124129,177.6,Unknown,Base,0,0.0902408106312081,0.06507867005275939,6.24,6.167807351495034,6.095614702990067,6.023422054485101,5.9512294059801345,5.879036757475167,5.806844108970201,5.734651460465234,5.662458811960268,5.5902661634553015,5.518073514950335,3.75,3.75,3.75,3.75,3.75,3.75,3.75,3.75,3.75,3.75,3.75,4.84,4.912192648504966,4.984385297009933,5.056577945514899,5.128770594019866,5.200963242524833,5.273155891029799,5.345348539534766,5.417541188039732,5.489733836544699,5.561926485049665,zero
+274,7.55,90,3.3351817350900256e+17,1.29,0.25464221837358075,24.3,Linear,Acid,0,2.31812218772914,1.7276970032482253,1.28,0.2005344087089842,0.0314345966147203,0.004929087332960113,0.0007731124570685513,0.00012159794035931294,1.891090695437475e-05,2.9514803789192012e-06,3.644112489370808e-07,1.2390690024338243e-07,9.266821317430014e-08,0.56,0.56,0.56,0.56,0.56,0.56,0.56,0.56,0.56,0.56,0.56,1.4,2.4794655912910155,2.6485654033852795,2.67507091266704,2.6792268875429315,2.6798784020596407,2.6799810890930456,2.679997048519621,2.6799996355887514,2.6799998760931,2.679999907331787,first
+277,2.24,91,1.998376149865789e+17,4.37,1.4747630091074988,138.4,Branched,Enzyme,1,1.3801969782879155,1.0868171259700385,5.29,1.5858832414050135,1.584184919406867,1.5839513923395132,1.5872345891698432,1.585555728357023,1.5834327337255374,1.5849034032206413,1.5865494083447607,1.5850050216836835,1.5852073049127409,2.31,2.31,2.31,2.31,2.31,2.31,2.31,2.31,2.31,2.31,2.31,3.82,5.054705586198329,5.0552716935310436,5.055349535886829,5.054255136943384,5.054814757214324,5.055522422091485,5.055032198926449,5.054483530551742,5.0549983261054345,5.054930898362416,third
+271,2.53,95,1.0445160610365598e+17,2.21,0.7929925155296614,24.0,Ring,None,0,0.050958615044318506,0.02631066557006229,5.18,4.780120299593056,4.474441478982348,4.234248051855982,4.04322456851159,3.8888834649132566,3.761024324907721,3.654188002253809,3.564748260956069,3.4893280705006857,3.4251357473823933,2.18,1.7801202995930567,1.4744414789823481,1.2342480518559822,1.0432245685115908,0.8888834649132572,0.7610243249077215,0.6541880022538099,0.5647482609560699,0.48932807050068633,0.425135747382394,1.52,1.9198797004069437,2.225558521017652,2.465751948144018,2.6567754314884096,2.811116535086743,2.938975675092278,3.04581199774619,3.1352517390439303,3.2106719294993136,3.274864252617606,second
+271,10.24,95,1.6496459497311158e+17,2.52,0.9242589015233319,72.4,Branched,Base,0,0.08048097683471117,0.06924087265129657,3.47,2.4003852191341535,1.8384978841324788,1.487976441724387,1.248304027188182,1.0763823247806137,0.9462306926549158,0.8431600575960112,0.7608298255617164,0.6936543414161574,0.6370512405341875,2.88,2.88,2.88,2.88,2.88,2.88,2.88,2.88,2.88,2.88,2.88,1.37,1.9048073904329235,2.185751057933761,2.361011779137807,2.4808479864059096,2.566808837609694,2.6318846536725427,2.683419971201995,2.7245850872191424,2.758172829291922,2.7864743797329066,second
+277,7.08,96,3.2859872744565357e+17,0.97,-0.030459207484708574,167.4,Ring,None,1,0.25884043445526034,0.16294424697256565,1.2,0.9561144987211485,0.9203784046842208,0.9138110031954592,0.9124193816356442,0.912356724024723,0.9121592196133234,0.912243087250285,0.911124598463577,0.9137075133860993,0.9126970855443199,2.99,2.99,2.99,2.99,2.99,2.99,2.99,2.99,2.99,2.99,2.99,1.11,1.1912951670929508,1.2032071984385933,1.2053963322681804,1.205860206121452,1.205881091991759,1.205946926795559,1.2059189709165716,1.206291800512141,1.2054308288713003,1.2057676381518934,third
+274,8.33,98,3.408475400697751e+17,3.99,1.3837912309017721,89.0,Linear,Base,1,0.07070057137662954,0.04343827426392775,4.56,1.8443329899419048,1.5914528894499294,1.526575526344311,1.5071325143122187,1.5015669855454232,1.4997330607803951,1.4991063113007068,1.498794629111895,1.4992123821791834,1.4989512439135946,0.85,0.85,0.85,0.85,0.85,0.85,0.85,0.85,0.85,0.85,0.85,4.46,5.365222336686032,5.44951570351669,5.471141491218563,5.4776224952292605,5.479477671484859,5.480088979739868,5.480297896233098,5.480401790296035,5.480262539273605,5.480349585362135,third
+277,6.6,99,4.9680328440433446e+17,3.96,1.3762440252663892,131.0,Branched,None,0,0.10636828236203637,0.08975858255300563,6.71,6.1626337190569185,5.65991962083446,5.198172100870411,4.773970575739977,4.384388514329521,4.02668498366452,3.698277978981675,3.396744423728913,3.1198201695653824,2.8653999963614574,1.88,1.88,1.88,1.88,1.88,1.88,1.88,1.88,1.88,1.88,1.88,0.9,0.9,0.9,0.9,0.9,0.9,0.9,0.9,0.9,0.9,0.9,first
+279,13.24,96,2.3824471563621325e+17,1.15,0.13976194237515863,49.2,Branched,Enzyme,0,0.25302572145944635,0.17144094466768378,4.35,3.235084462060004,2.780387211111569,2.5520149125112788,2.424780508126097,2.3504219868338754,2.3051840415693072,2.2773594666312653,2.2599164153196822,2.248987716241239,2.2420534989491183,2.12,1.005084462060005,0.5503872111115697,0.32201491251127956,0.19478050812609782,0.12042198683387634,0.07518404156930839,0.047359466631266514,0.02991641531968358,0.01898771624123994,0.012053498949119244,0.8,1.9149155379399951,2.3696127888884306,2.5979850874887207,2.7252194918739026,2.799578013166124,2.8448159584306922,2.872640533368734,2.8900835846803172,2.9010122837587606,2.907946501050881,second
+271,4.82,93,3.3055767370215816e+16,2.59,0.9516578757114463,48.5,Unknown,None,1,0.03917952429115748,0.03131012707393468,8.41,2.319536868543096,1.7925200735792854,1.5946850313442413,1.5016433636554483,1.4546116388155308,1.4283612805466441,1.4145990909351376,1.4068244173629079,1.402252130034654,1.3998151894958728,3.0,3.0,3.0,3.0,3.0,3.0,3.0,3.0,3.0,3.0,3.0,1.07,3.1001543771523012,3.2758266421402378,3.3417716562185857,3.3727855454481834,3.3884627870614894,3.3972129064844516,3.4018003030216204,3.4043918608790302,3.405915956655115,3.406728270168042,third
+270,5.21,94,4.843387550533451e+17,3.98,1.3812818192963463,42.4,Linear,Base,0,0.3155725579172227,0.2776049049811986,3.82,1.3086353015375203,0.7888534084987429,0.5647664856687746,0.4402236227701187,0.36004882410774547,0.30513083182961576,0.2643936227204936,0.23326822582472062,0.20893561992369847,0.18909355741122907,2.09,2.09,2.09,2.09,2.09,2.09,2.09,2.09,2.09,2.09,2.09,3.67,4.9256823492312405,5.185573295750629,5.297616757165613,5.359888188614941,5.399975587946128,5.4274345840851925,5.447803188639753,5.463365887087639,5.475532190038151,5.485453221294385,second
+273,1.21,91,1.1177457625064528e+17,3.56,1.269760544863939,113.7,Branched,Acid,0,0.43268068515060293,0.26839499646058096,7.98,7.746744392213723,7.731154628205072,7.730079764557444,7.730005421944396,7.730000578293936,7.73000020821569,7.729999594879766,7.729999641496741,7.73000071010086,7.730000399258945,0.25,0.0167443922137233,0.001154628205072354,7.976455744424795e-05,5.4219443971472115e-06,5.782939375923758e-07,2.0821569124434553e-07,-4.051202318835786e-07,-3.585032562993554e-07,7.101008624548011e-07,3.992589471879961e-07,0.86,1.0932556077862767,1.1088453717949276,1.1099202354425557,1.1099945780556029,1.1099994217060623,1.1099997917843087,1.110000405120232,1.1100003585032563,1.1099992898991375,1.1099996007410529,second
+273,12.57,93,2.638311745255865e+17,0.83,-0.18632957819149348,192.7,Linear,Enzyme,1,0.42312180938966953,0.23243414337081333,1.91,1.3367802565294198,1.3352456321378423,1.3343942856906228,1.3346750718410987,1.3367330911417479,1.3343114677806067,1.3346555541734872,1.3366712799479916,1.3343340150413412,1.3355538111306253,0.12,0.12,0.12,0.12,0.12,0.12,0.12,0.12,0.12,0.12,0.12,4.14,4.331073247823527,4.331584789287386,4.331868571436459,4.331774976052967,4.331088969619417,4.331896177406464,4.33178148194217,4.331109573350669,4.3318886616528856,4.331482062956458,third
+279,1.7,92,3.494132648997483e+17,4.5,1.5040773967762742,173.9,Linear,Base,1,2.081572581345177,1.8352996099442593,5.5,4.334376877059493,4.334873668551086,4.333952052833264,4.333657530512763,4.334474974732152,4.3356210328654425,4.334969715623797,4.333956296194927,4.333711591817416,4.3346128263,2.31,1.1443768770594935,1.144873668551086,1.1439520528332654,1.143657530512764,1.1444749747321523,1.1456210328654433,1.1449697156237977,1.143956296194929,1.1437115918174172,1.144612826300001,4.46,5.625623122940507,5.625126331448914,5.626047947166736,5.626342469487237,5.625525025267848,5.624378967134557,5.625030284376203,5.626043703805073,5.626288408182584,5.6253871737,second
+276,9.38,94,2.5339825732552278e+17,4.81,1.5706970841176697,24.2,Unknown,None,0,0.410300971823084,0.3524717668228417,2.15,1.8217592225415327,1.4935184450830654,1.165277667624598,0.8370368901661308,0.5087961127076637,0.18055533524919598,-0.14768544220927127,-0.4759262196677385,-0.804166997126206,-1.132407774584673,3.59,3.59,3.59,3.59,3.59,3.59,3.59,3.59,3.59,3.59,3.59,3.31,3.6382407774584675,3.9664815549169345,4.294722332375402,4.6229631098338695,4.951203887292336,5.2794446647508035,5.607685442209271,5.9359262196677385,6.264166997126206,6.592407774584673,zero
+274,8.89,93,3.969993342660966e+16,4.16,1.425515074273172,36.5,Ring,Acid,0,0.07393904312388237,0.052523733514436066,3.09,2.912523389930243,2.745240328516306,2.5875583033739957,2.4389258769370277,2.2988340934882343,2.166797219593887,2.0423526391511877,1.925060853388266,1.8145054808641818,1.710293257468923,4.82,4.82,4.82,4.82,4.82,4.82,4.82,4.82,4.82,4.82,4.82,1.15,1.3274766100697568,1.4947596714836935,1.6524416966260036,1.8010741230629719,1.9411659065117652,2.0732027804061124,2.197647360848812,2.3149391466117337,2.425494519135818,2.5297067425310766,first
+273,8.96,93,3.912222696761518e+17,3.17,1.1537315878891892,76.0,Linear,Base,0,0.6274265159019445,0.34633903410155026,6.06,0.5748758549001203,0.4074944344091335,0.33300546458139124,0.28828294929362935,0.2580962785100762,0.23554893094249596,0.21802852266388464,0.20406905037172182,0.1924622203834566,0.18254910881894293,4.03,4.03,4.03,4.03,4.03,4.03,4.03,4.03,4.03,4.03,4.03,3.69,5.518374715033295,5.5741685218636245,5.598998178472872,5.613905683568793,5.62396790716331,5.631483689685837,5.637323825778708,5.641976983209428,5.64584592653885,5.649150297060355,third
+276,7.75,96,3.0168478820021926e+17,1.5,0.4054651081081644,28.3,Unknown,Acid,0,0.20432748023402555,0.1322825754598672,9.92,8.424047310281885,7.1535767440076174,6.072841608237546,5.15526633545323,4.377986467655472,3.719771139462066,3.161023078107805,2.6846382669025424,2.279788243552029,1.9360103553475076,4.49,4.49,4.49,4.49,4.49,4.49,4.49,4.49,4.49,4.49,4.49,4.58,6.075952689718115,7.346423255992381,8.427158391762452,9.34473366454677,10.122013532344527,10.780228860537932,11.338976921892193,11.815361733097458,12.22021175644797,12.56398964465249,first
+278,4.31,91,1.9292654022643395e+17,4.27,1.451613827240533,184.5,Unknown,Acid,0,1.5359782900430785,1.2120101059850779,5.24,0.8976016137262971,0.5855564830636412,0.47854560864443046,0.4282547482714096,0.4011315422032071,0.3853827048809337,0.37593991363271745,0.3700749328170807,0.3664220439772028,0.364100162581375,4.88,0.5376016137262968,0.22555648306364084,0.1185456086444302,0.06825474827140932,0.04113154220320689,0.025382704880933367,0.015939913632717143,0.010074932817080412,0.006422043977202494,0.004100162581374684,1.41,5.752398386273703,6.064443516936359,6.17145439135557,6.221745251728591,6.248868457796794,6.264617295119067,6.2740600863672835,6.279925067182921,6.283577956022798,6.285899837418627,second
+277,1.07,96,4.677671568392207e+17,3.58,1.275362800412609,180.5,Unknown,None,1,0.3684647686902273,0.24351472460661508,6.85,1.918717942451572,1.6752928643655638,1.6486701239228156,1.6454252633152828,1.6446738928695506,1.643723493257343,1.6456971540091454,1.6436292394365095,1.6458932213317885,1.6449222757118083,1.01,1.01,1.01,1.01,1.01,1.01,1.01,1.01,1.01,1.01,1.01,1.49,3.9556410287742145,4.077353567817219,4.090664938038593,4.09228736834236,4.092663053565226,4.09313825337133,4.092151422995428,4.093185380281747,4.092053389334107,4.092538862144098,second
+279,7.4,96,4.8895376146114995e+17,3.1,1.1314021114911006,112.4,Ring,Enzyme,1,0.5192890760394787,0.4449127913293051,2.26,0.8330588168222502,0.8126064991637366,0.8122246175426521,0.8124110202317469,0.8124522720731484,0.8126340243711302,0.8128686552184837,0.813004167390076,0.81278718985198,0.8125966448254304,2.86,2.1465294084111255,2.1363032495818683,2.136112308771326,2.1362055101158735,2.1362261360365737,2.136317012185565,2.1364343276092415,2.1365020836950377,2.13639359492599,2.136298322412715,0.92,1.6334705915888748,1.6436967504181317,1.643887691228674,1.6437944898841264,1.6437738639634256,1.6436829878144348,1.643565672390758,1.643497916304962,1.6436064050740098,1.6437016775872846,third
+276,5.76,98,4.128441601172837e+17,2.13,0.7561219797213337,159.4,Unknown,None,1,0.1169590838483938,0.08740793097947343,4.36,3.7910391261264005,3.485114290413228,3.3064803128913094,3.1997528318474275,3.1344406284220976,3.094532852624616,3.0689693258192245,3.053457442099268,3.0437119635622327,3.0373766193401726,2.48,1.9110391261263995,1.6051142904132272,1.4264803128913086,1.3197528318474265,1.2544406284220966,1.2145328526246144,1.188969325819223,1.173457442099267,1.163711963562232,1.1573766193401718,3.31,3.8789608738736003,4.184885709586773,4.363519687108691,4.470247168152573,4.535559371577904,4.575467147375386,4.601030674180778,4.6165425579007335,4.626288036437769,4.632623380659829,second
+277,7.51,98,3.3357904263954643e+17,1.66,0.5068176023684519,100.9,Linear,Base,0,0.11025694736892115,0.06992554942550297,5.86,5.743871516507836,5.675141174110766,5.633865737677461,5.6089415703715115,5.593768635051867,5.584527789288733,5.578883698163589,5.57543486807488,5.573325720224708,5.5720367303462845,0.29,0.17387151650783567,0.10514117411076591,0.06386573767746041,0.0389415703715118,0.023768635051867132,0.014527789288732579,0.00888369816358971,0.005434868074880469,0.003325720224708775,0.00203673034628511,3.19,3.3061284834921643,3.374858825889234,3.4161342623225397,3.441058429628488,3.456231364948133,3.465472210711267,3.47111630183641,3.4745651319251194,3.476674279775291,3.477963269653715,second
+279,10.95,98,1.6055140569399866e+17,4.87,1.5830939370944985,185.2,Linear,Base,1,0.07199463263790318,0.04257651073925936,5.43,5.246375430143392,5.078833572697155,4.9259539938128585,4.786409583751436,4.659086992265918,4.5429554942922765,4.437045747720626,4.34044979339522,4.252321055114454,4.171874339630862,4.91,4.91,4.91,4.91,4.91,4.91,4.91,4.91,4.91,4.91,4.91,3.54,3.723624569856608,3.891166427302845,4.044046006187141,4.183590416248563,4.310913007734082,4.427044505707723,4.5329542522793735,4.62955020660478,4.717678944885546,4.798125660369138,first
+279,1.25,93,4.1873001261303494e+17,4.35,1.4701758451005926,189.0,Ring,Base,0,1.6209087507006552,1.2824698967917612,8.79,2.4039061299081537,0.6576215196130809,0.1802939656244802,0.049316785766018986,0.013496758099392703,0.003700653445911364,0.0010124797837700798,0.00027687583367867513,7.57749627707447e-05,2.0905588736352347e-05,4.74,4.74,4.74,4.74,4.74,4.74,4.74,4.74,4.74,4.74,4.74,4.84,11.226093870091844,12.972378480386917,13.449706034375518,13.580683214233979,13.616503241900604,13.626299346554084,13.628987520216226,13.629723124166317,13.629924225037225,13.62997909441126,first
+272,9.03,91,3.390575411827363e+17,4.52,1.5085119938441398,46.5,Branched,Acid,1,1.1326155860124816,0.7892820882371863,9.65,1.9840652025647292,1.9851433274321846,1.9825587379180991,1.9816266763282937,1.9849219063086727,1.982485108475419,1.9828866176409956,1.9853968722769495,1.9825530364212687,1.9834713769070786,0.03,0.03,0.03,0.03,0.03,0.03,0.03,0.03,0.03,0.03,0.03,1.81,5.642967398717636,5.642428336283908,5.643720631040951,5.644186661835853,5.6425390468456635,5.643757445762289,5.643556691179501,5.642301563861524,5.643723481789365,5.643264311546461,second
+272,6.35,90,3.6736203090156685e+17,3.4,1.2237754316221157,155.1,Ring,Base,0,1.909630956785519,1.3815062795308035,2.86,0.3287972211330991,0.23324792080806603,0.190613795273901,0.16529978374763754,0.14777626413393946,0.13499862227817772,0.12502599768845055,0.11692462397079936,0.11023310624129526,0.10457098272151351,1.52,1.52,1.52,1.52,1.52,1.52,1.52,1.52,1.52,1.52,1.52,0.67,1.5137342596223,1.545584026397311,1.559795401575366,1.5682334054174538,1.5740745786220198,1.5783337925739402,1.581658000770516,1.5843584586764,1.5865889645862346,1.5884763390928285,third
+278,13.46,91,2.9149629150273446e+17,3.7,1.308332819650179,179.2,Ring,Acid,0,2.3207381154027584,1.8598398193582195,1.11,0.39548904140615104,0.2527491294374484,0.191824269959403,0.15829893851981208,0.13730538965151806,0.12289078706138853,0.11256772068338464,0.10483048958373019,0.09883693535290378,0.09411390227587485,1.04,0.325489041406151,0.18274912943744834,0.12182426995940294,0.088298938519812,0.06730538965151799,0.052890787061388465,0.042567720683384574,0.03483048958373013,0.02883693535290372,0.0241139022758748,0.78,1.4945109585938492,1.6372508705625517,1.698175730040597,1.731701061480188,1.752694610348482,1.7671092129386115,1.7774322793166153,1.78516951041627,1.7911630646470964,1.7958860977241253,second
+270,7.09,93,2.1840858005372938e+17,4.18,1.430311246536665,193.2,Unknown,None,1,0.22217148672810602,0.17558151916012174,8.55,7.533492475402251,6.793796649608107,6.254464898511915,5.864608720857267,5.58119808623869,5.37291398445858,5.222369620192609,5.1139169178321815,5.034066569556572,4.975854300165062,1.43,1.43,1.43,1.43,1.43,1.43,1.43,1.43,1.43,1.43,1.43,2.37,3.3865075245977496,4.126203350391894,4.665535101488086,5.055391279142734,5.33880191376131,5.54708601554142,5.697630379807391,5.806083082167818,5.885933430443428,5.944145699834938,first
+279,5.91,99,4.6106062180847597e+17,2.56,0.9400072584914712,99.8,Unknown,None,0,0.13434340314362184,0.11720530889923542,5.99,2.628505345101484,1.6820896185010747,1.2359417047442105,0.9777709263691994,0.8081501217751874,0.6894691165784979,0.6002420195523107,0.5320052587170552,0.4779668279520043,0.4334540430337811,0.73,0.73,0.73,0.73,0.73,0.73,0.73,0.73,0.73,0.73,0.73,4.89,6.570747327449258,7.043955190749463,7.267029147627896,7.396114536815401,7.480924939112407,7.540265441710751,7.584878990223845,7.618997370641473,7.646016586023999,7.6682729784831105,second
+270,12.19,94,4.2271325802305824e+17,3.88,1.355835153635182,188.8,Unknown,Base,0,0.2754202563971308,0.15913042953259476,7.47,5.992795559199665,4.807205471226657,3.8550312359428673,3.0929828938701203,2.483091388221443,1.9922256719578506,1.5973811156819462,1.2814895970551639,1.0289965597140731,0.8259719657423858,2.82,2.82,2.82,2.82,2.82,2.82,2.82,2.82,2.82,2.82,2.82,1.87,3.3472044408003345,4.532794528773342,5.4849687640571325,6.24701710612988,6.856908611778557,7.347774328042149,7.742618884318054,8.058510402944837,8.311003440285926,8.514028034257613,first
+278,6.63,92,4.944383269750844e+16,2.33,0.8458682675776092,82.0,Ring,None,0,0.25539009796503725,0.20470008747287383,8.98,0.9013620887030743,0.6384063630330391,0.5217006894287707,0.45221728786153736,0.4043392714971575,0.36916594375190176,0.34203637989436125,0.31987231402272465,0.30152853403197316,0.286016248688393,2.51,2.51,2.51,2.51,2.51,2.51,2.51,2.51,2.51,2.51,2.51,1.77,4.462879303765642,4.550531212322321,4.589433103523743,4.612594237379487,4.628553576167614,4.640278018749366,4.649321206701879,4.656709228659092,4.662823821989342,4.667994583770535,third
+276,4.87,96,3.57021720273847e+17,4.28,1.4539530095937054,106.2,Ring,None,0,0.24180651907433245,0.1676523521434321,1.87,1.092135657106698,0.7684528054570718,0.5922837371924289,0.48271002560323373,0.406614086923671,0.3518108393770987,0.30976581814741566,0.2765862510682594,0.24997684286355457,0.22803560292731417,4.86,4.86,4.86,4.86,4.86,4.86,4.86,4.86,4.86,4.86,4.86,4.99,5.3789321714466505,5.540773597271464,5.628858131403786,5.683644987198383,5.721692956538164,5.749094580311451,5.770117090926292,5.78670687446587,5.800011578568222,5.810982198536342,second
+277,6.54,93,1.470795595319756e+17,4.77,1.5623463049002497,132.4,Branched,None,0,0.4262428611670592,0.24156596744595107,6.85,4.87059067906256,3.463303675336905,2.4599576335478543,1.7507973278351925,1.2466712119819587,0.8856674176376165,0.6304266755689301,0.44864838216608904,0.3189561986728565,0.22692733934723464,2.06,2.06,2.06,2.06,2.06,2.06,2.06,2.06,2.06,2.06,2.06,0.52,0.52,0.52,0.52,0.52,0.52,0.52,0.52,0.52,0.52,0.52,first
+277,7.29,90,4.959177430194467e+17,5.0,1.6094379124341003,21.8,Ring,Acid,0,5.287531887865209,2.7639213324612752,7.5,0.1093222380682493,0.0016000754655381543,2.3276440471049292e-05,5.172868784012392e-07,-4.0824224423531507e-07,-4.945567681982414e-07,-2.450970120087983e-07,1.0823483062366063e-06,8.559790719445364e-07,3.4078129600465053e-07,1.83,1.83,1.83,1.83,1.83,1.83,1.83,1.83,1.83,1.83,1.83,0.53,7.920677761931749,8.02839992453446,8.029976723559527,8.02999948271312,8.030000408242241,8.030000494556765,8.030000245097007,8.02999891765169,8.029999144020923,8.0299996592187,first
+275,12.14,96,4.2785874285463e+17,2.8,1.0296194171811581,25.9,Linear,Enzyme,0,0.2488879454730988,0.14805242108358954,1.05,0.8604295600629925,0.7050902851022938,0.5775097056974168,0.472923373019234,0.3875836031368932,0.3179894944101282,0.26088692517321926,0.21377987457523553,0.1751856442049757,0.14356564125052673,4.31,4.31,4.31,4.31,4.31,4.31,4.31,4.31,4.31,4.31,4.31,2.89,3.0795704399370076,3.2349097148977064,3.362490294302584,3.4670766269807665,3.5524163968631073,3.6220105055898726,3.6791130748267813,3.7262201254247653,3.764814355795025,3.796434358749474,first
+272,9.62,92,9.378221988102914e+16,4.4,1.4816045409242156,105.4,Unknown,Base,1,0.2013184511291596,0.1117991333461404,4.04,2.5383180410070794,1.975424015657727,1.7160062110656247,1.5837362255440461,1.5142053209481685,1.475975488738845,1.4553700673722592,1.4434031127434117,1.4372687139057438,1.4336434889329441,4.24,2.7383180410070795,2.175424015657727,1.9160062110656249,1.7837362255440463,1.7142053209481687,1.6759754887388452,1.6553700673722593,1.6434031127434119,1.637268713905744,1.6336434889329443,1.58,3.0816819589929207,3.644575984342273,3.9039937889343754,4.0362637744559535,4.105794679051831,4.144024511261155,4.16462993262774,4.176596887256588,4.182731286094255,4.186356511067055,second
+275,6.02,99,5.2011862562991416e+16,0.92,-0.08338160893905101,32.3,Unknown,Enzyme,1,0.00814615822180363,0.006093136364455879,5.18,5.178282436845594,5.176637123169922,5.175060990457191,5.173551097380161,5.172104628317153,5.1707188895058795,5.169391314148217,5.168119441837346,5.16690091245974,5.1657334661951575,0.67,0.6682824368455933,0.6666371231699214,0.6650609904571908,0.6635510973801607,0.6621046283171524,0.6607188895058792,0.6593913141482164,0.6581194418373462,0.6569009124597397,0.6557334661951574,4.28,4.281717563154406,4.283362876830078,4.284939009542809,4.286448902619839,4.287895371682847,4.28928111049412,4.290608685851783,4.291880558162654,4.29309908754026,4.2942665338048425,second
+274,13.69,90,2.5767184739163872e+17,1.75,0.5596157879354227,58.4,Unknown,None,1,1.7909513604828837,1.3987063064628882,7.59,1.2978147773914468,1.2967731942314005,1.2966994071090978,1.2975722147888773,1.2985113475575645,1.299086023495468,1.2982140640236004,1.2971303289300569,1.296707804422835,1.2981078082419224,0.3,0.3,0.3,0.3,0.3,0.3,0.3,0.3,0.3,0.3,0.3,0.7,2.797395074202852,2.797742268589535,2.79776686429697,2.7974759284037103,2.797162884147482,2.796971325501515,2.7972619786588053,2.797623223689987,2.7977640651923954,2.7972973972526995,third
+278,11.47,91,7.03350189040424e+16,3.68,1.3029127521808397,193.4,Unknown,Base,0,0.5599699343573074,0.37657713335992044,4.02,0.5085869767918421,0.29696994841597557,0.2122279331170714,0.16585199631673445,0.13656405455537424,0.11606457037807386,0.10104556820233662,0.08959527412347679,0.08041618991721952,0.07296111038592941,3.39,1.6342934883959215,1.5284849742079882,1.4861139665585361,1.4629259981583678,1.4482820272776875,1.4380322851890375,1.4305227841011687,1.424797637061739,1.4202080949586104,1.4164805551929653,1.67,3.425706511604079,3.5315150257920123,3.573886033441464,3.5970740018416327,3.6117179727223125,3.621967714810963,3.6294772158988318,3.6352023629382617,3.63979190504139,3.643519444807035,third
+277,4.53,96,1.9511568696657046e+17,4.99,1.6074359097634274,150.8,Ring,None,0,0.15369453672585032,0.0986103653653631,8.58,7.587318055528353,6.709421844074866,5.932125931140508,5.24455203962907,4.637180064076947,4.101042034882884,3.6277221183079735,3.2093566164756693,2.8386413235095085,2.510218760889136,2.9,2.9,2.9,2.9,2.9,2.9,2.9,2.9,2.9,2.9,2.9,2.63,3.6226819444716467,4.500578155925135,5.277874068859493,5.9654479603709305,6.572819935923054,7.108957965117117,7.582277881692027,8.00064338352433,8.371358676490493,8.699781239110864,first
+279,12.8,98,2.904975274161906e+17,2.0,0.6931471805599453,122.7,Branched,Enzyme,0,0.13026521118357057,0.09100177359535194,7.22,6.505464877208238,5.86164698024009,5.281364325304409,4.758125389945159,4.286734648380246,3.862328510353027,3.480326026165964,3.136428886680626,2.826621423317688,2.5471706080569314,2.55,2.55,2.55,2.55,2.55,2.55,2.55,2.55,2.55,2.55,2.55,2.33,2.33,2.33,2.33,2.33,2.33,2.33,2.33,2.33,2.33,2.33,first
+273,9.46,98,4.056915985565462e+17,2.94,1.0784095813505903,154.1,Branched,Acid,1,0.0718823676663649,0.04218206754409677,4.27,1.5792906831948421,1.1109012987848217,0.9276333565797765,0.839254116623225,0.7933428270715127,0.768226941712603,0.7542971615137223,0.7461665450848348,0.7419176707063976,0.7392731986193032,4.67,3.3246453415974213,3.090450649392411,2.9988166782898884,2.9546270583116128,2.9316714135357564,2.919113470856302,2.9121485807568614,2.9080832725424175,2.905958835353199,2.9046365993096517,0.91,2.255354658402579,2.4895493506075894,2.581183321710112,2.6253729416883878,2.648328586464244,2.6608865291436987,2.667851419243139,2.671916727457583,2.6740411646468014,2.675363400690349,third
+279,3.87,94,3.962178517127172e+17,3.35,1.208960345836975,182.8,Branched,None,0,0.9966228076861219,0.8800263980505547,5.19,2.3362390934361743,1.0542044706966127,0.47558861759587867,0.21460997017389039,0.09678080900634045,0.04360284588832759,0.01965100160087623,0.008863218041532716,0.003999846889373408,0.0018045195151838076,2.74,2.74,2.74,2.74,2.74,2.74,2.74,2.74,2.74,2.74,2.74,0.37,0.37,0.37,0.37,0.37,0.37,0.37,0.37,0.37,0.37,0.37,first
+276,5.52,98,2.5483633415247206e+17,3.42,1.2296405510745139,135.3,Linear,Enzyme,0,0.0721953391935808,0.045232574994468734,4.79,4.5211850104192175,4.267456012947705,4.027961303118224,3.8018960109997373,3.588520317046639,3.38712925543922,3.197050920277293,3.01764646558019,2.848310105286763,2.688469113255384,0.68,0.68,0.68,0.68,0.68,0.68,0.68,0.68,0.68,0.68,0.68,3.49,3.7588149895807823,4.012543987052295,4.252038696881776,4.478103989000263,4.691479682953362,4.89287074456078,5.082949079722708,5.262353534419811,5.431689894713237,5.591530886744616,first
+273,4.69,90,2.5305318844350333e+17,1.78,0.5766133643039938,175.7,Branched,None,1,1.521874634414734,1.3450635689446784,5.02,4.688172453254926,4.652811497988532,4.649339933062827,4.648863201292522,4.650717906409961,4.646947382529367,4.651612150240437,4.650335274052527,4.645671939384196,4.6542779227786015,1.59,1.59,1.59,1.59,1.59,1.59,1.59,1.59,1.59,1.59,1.59,4.89,5.221827546745073,5.257188502011467,5.260660066937172,5.2611367987074775,5.259282093590039,5.263052617470632,5.258387849759562,5.259664725947473,5.264328060615803,5.255722077221398,first
+276,12.44,94,1.2836141717722064e+17,3.22,1.169381359556317,44.7,Linear,Enzyme,0,0.20784205372314227,0.13652878020134807,3.88,1.157430310130575,0.7618260119678455,0.5820687647784043,0.47652546584537825,0.405187594917004,0.3542013051419437,0.31497073803194675,0.28403349868842825,0.2591486918648377,0.23846910955266382,2.83,1.4687151550652877,1.2709130059839229,1.1810343823892024,1.1282627329226895,1.0925937974585023,1.067100652570972,1.0474853690159738,1.0320167493442145,1.0195743459324191,1.0092345547763322,3.01,4.371284844934713,4.569086994016077,4.658965617610797,4.711737267077311,4.747406202541498,4.772899347429028,4.792514630984027,4.807983250655786,4.820425654067582,4.830765445223668,third
+272,5.68,91,3.1040837155240646e+17,2.32,0.8415671856782185,188.8,Unknown,Base,0,1.0369135528518658,0.9309186202444192,2.59,1.1291191723028786,0.4932517651960549,0.21540630707492053,0.09410751790624829,0.04111398099501724,0.017953084687389872,0.007833461639004889,0.0034181185847282306,0.0014922591284061714,0.0006526080207934802,0.26,0.26,0.26,0.26,0.26,0.26,0.26,0.26,0.26,0.26,0.26,4.91,4.91,4.91,4.91,4.91,4.91,4.91,4.91,4.91,4.91,4.91,first
+277,6.05,90,4.571340726568601e+17,4.74,1.556037135706985,62.6,Ring,Acid,1,4.874015943624053,3.374651349635948,3.39,1.8726488303062476,1.8681117112323067,1.870032132880483,1.8703600013276263,1.8697833430666613,1.8721380532839762,1.869021200163012,1.8714225804307754,1.8690075424638442,1.870684340077424,3.56,3.56,3.56,3.56,3.56,3.56,3.56,3.56,3.56,3.56,3.56,4.29,5.048675584846877,5.050944144383848,5.04998393355976,5.049819999336188,5.0501083284666715,5.048930973358013,5.050489399918495,5.049288709784614,5.050496228768079,5.04965782996129,second
+270,7.99,98,4.899310869049478e+17,0.69,-0.37106368139083207,155.5,Branched,None,1,0.05372922029630021,0.03509780620763047,7.27,7.011721506503211,6.7711598784428615,6.547077195486086,6.338342786567215,6.143938086949306,5.962896219051757,5.794301688554651,5.637290384398753,5.491049578785509,5.35481792717705,4.85,4.85,4.85,4.85,4.85,4.85,4.85,4.85,4.85,4.85,4.85,1.6,1.8582784934967895,2.0988401215571377,2.322922804513914,2.5316572134327844,2.7260619130506933,2.9071037809482423,3.0756983114453478,3.2327096156012467,3.3789504212144905,3.515182072822949,first
+276,9.12,98,2.8946914922537536e+17,2.08,0.7323678937132266,99.1,Linear,None,0,0.08200684366264459,0.0703171035121714,6.37,5.458519114405544,4.9030232510971175,4.535840675230347,4.2820286620094405,4.09879284352159,3.9649515234944332,3.8643918376944013,3.7878471543121575,3.729523917286857,3.68448042333339,2.85,1.9385191144055438,1.3830232510971185,1.015840675230348,0.7620286620094416,0.578792843521591,0.4449515234944341,0.344391837694402,0.2678471543121581,0.20952391728685807,0.1644804233333904,4.83,5.741480885594457,6.296976748902882,6.664159324769653,6.917971337990559,7.101207156478409,7.2350484765055665,7.335608162305599,7.412152845687842,7.470476082713143,7.515519576666611,second
+273,4.47,94,4.849437303563382e+17,4.56,1.5173226235262947,25.5,Branched,Enzyme,0,0.5005967906906534,0.3334524463772479,4.62,3.095150524518542,2.0737565602441737,1.3879753577235672,0.9318402065913103,0.6240883093013802,0.4183165113288679,0.28058669413448556,0.1878490360834929,0.12609989533280697,0.08449335126374535,0.7,0.7,0.7,0.7,0.7,0.7,0.7,0.7,0.7,0.7,0.7,3.17,3.17,3.17,3.17,3.17,3.17,3.17,3.17,3.17,3.17,3.17,first
+278,8.25,93,1.715015969275301e+17,1.74,0.5538851132264376,27.5,Ring,Base,0,0.5747234531472967,0.39308054474452203,2.79,0.5992284084319898,0.3711582783768015,0.27389635555016506,0.21882199954849302,0.18257587795562513,0.15723535583788706,0.13808974319345163,0.12322038534985628,0.1114290428734766,0.1017220379246688,2.28,1.1846142042159946,1.0705791391884005,1.0219481777750823,0.9944109997742463,0.9762879389778124,0.9636176779189434,0.9540448715967257,0.946610192674928,0.9407145214367382,0.9358610189623343,1.03,2.1253857957840054,2.2394208608115997,2.288051822224918,2.315589000225754,2.333712061022188,2.346382322081057,2.355955128403275,2.3633898073250723,2.3692854785632624,2.374138981037666,third
+270,10.3,100,4.3152583150335194e+17,4.75,1.55814461804655,63.4,Linear,Enzyme,0,0.019415344702132815,0.014512497349377852,4.87,4.861992686329464,4.854579586287986,4.847714666700393,4.841355201660278,4.835464061350616,4.83000655448912,4.824950081614511,4.8202641350865205,4.81592029908589,4.811892249614368,0.11,0.10199268632946373,0.09457958628798602,0.08771466670039321,0.08135520166027711,0.07546406135061537,0.07000655448911952,0.06495008161451085,0.06026413508652046,0.05592029908588916,0.05189224961436757,0.66,0.6680073136705363,0.675420413712014,0.6822853332996068,0.6886447983397229,0.6945359386493847,0.6999934455108805,0.7050499183854891,0.7097358649134795,0.7140797009141109,0.7181077503856325,second
+274,10.18,100,3.935092220989785e+17,2.36,0.8586616190375187,81.0,Unknown,Base,1,0.03392572670719651,0.023629483651546684,9.15,8.766940625273389,8.723799028114293,8.718533810953785,8.71788469315725,8.717804088964321,8.717795980089718,8.717776999630688,8.717802665636981,8.717777203492398,8.717805064633513,0.23,0.03847031263669427,0.016899514057147503,0.014266905476893564,0.013942346578626084,0.013902044482161998,0.013897990044860352,0.013888499815345871,0.013901332818492814,0.01388860174620123,0.013902532316758334,1.3,1.4915296873633057,1.5131004859428525,1.5157330945231065,1.516057653421374,1.516097955517838,1.5161020099551397,1.5161115001846541,1.5160986671815073,1.5161113982537988,1.5160974676832417,third
+272,12.2,99,4.9659211598464064e+17,3.3,1.1939224684724346,30.7,Ring,None,0,0.0482436898998272,0.04214489178751343,5.21,5.012751174487177,4.8229701418309,4.640374106897286,4.464689844239373,4.295656739369388,4.133024111674277,3.9765498282813123,3.8260003040580983,3.681150501612565,3.5417839312929695,2.24,2.24,2.24,2.24,2.24,2.24,2.24,2.24,2.24,2.24,2.24,4.47,4.47,4.47,4.47,4.47,4.47,4.47,4.47,4.47,4.47,4.47,first
+275,4.85,94,2.7118237887528285e+17,4.2,1.4350845252893227,110.0,Ring,Enzyme,1,0.3783266453286191,0.26806283426578176,6.68,1.6611033163017297,1.6627340935618176,1.6603136605536282,1.658932455406423,1.6618593143891507,1.661311530845702,1.6597001444711272,1.661556762004257,1.6627871862739998,1.6610363150936598,3.45,3.45,3.45,3.45,3.45,3.45,3.45,3.45,3.45,3.45,3.45,4.79,6.462965561232757,6.462421968812729,6.463228779815458,6.463689181531194,6.4627135618702845,6.462896156384768,6.463433285176293,6.4628144126652485,6.462404271242002,6.462987894968781,third
+271,7.05,99,7.91395319849809e+16,3.41,1.2267122912954254,175.5,Branched,Base,0,0.006541496737757948,0.004596182555614191,2.03,1.9101690429872007,1.8093451775620768,1.722861309791035,1.6473240605180903,1.5810491677388967,1.5226317551507302,1.47075690581875,1.4241996621759974,1.3818250260233966,1.342587958529755,2.23,2.23,2.23,2.23,2.23,2.23,2.23,2.23,2.23,2.23,2.23,3.3,3.3399436523375994,3.3735516074793077,3.402379563402988,3.42755864649397,3.4496502774203677,3.4691227482830898,3.486414364727083,3.501933445941334,3.5160583246588675,3.529137347156748,third
+278,10.2,96,1.1243148988408478e+17,2.95,1.0818051703517284,21.2,Linear,None,0,0.1028904800201374,0.06622774786870392,7.55,1.9317688562069724,1.3021050165724812,1.0159740401822872,0.8453659880275604,0.7305589274648414,0.6461365098277064,0.5811062066742434,0.5297790779294265,0.487585320842928,0.4520390180902588,4.52,1.7108844281034858,1.3960525082862403,1.2529870200911433,1.1676829940137798,1.1102794637324205,1.068068254913853,1.0355531033371213,1.009889538964713,0.9887926604214636,0.9710195090451291,0.32,3.1291155718965142,3.443947491713759,3.5870129799088564,3.67231700598622,3.7297205362675796,3.7719317450861474,3.8044468966628786,3.830110461035287,3.8512073395785364,3.868980490954871,third
+280,7.23,97,2.989121538426967e+17,3.76,1.324418957401803,54.8,Ring,Acid,0,0.23950704794677524,0.19070006036913686,2.87,0.690449755162847,0.4151313211475939,0.2995745731918287,0.23527630903315064,0.1942026075880561,0.16539577644557,0.14411250181025,0.12789493554107398,0.11488743412862125,0.10428340499689115,3.69,2.6002248775814243,2.4625656605737976,2.4047872865959152,2.3726381545165762,2.3521013037940293,2.337697888222786,2.327056250905126,2.318947467770538,2.312443717064312,2.3071417024984466,3.34,4.429775122418576,4.567434339426202,4.625212713404085,4.657361845483424,4.677898696205971,4.692302111777214,4.7029437490948744,4.711052532229462,4.717556282935688,4.722858297501554,third
+277,10.95,96,2.990233971411474e+17,2.55,0.9360933591703348,140.6,Linear,Acid,1,0.2355436572440878,0.13732347692721536,3.69,3.121089274112919,2.6985539443033435,2.3852056972410054,2.1533945065770435,1.9805552196231226,1.852342650237824,1.7578144792992463,1.6873919255442678,1.6349758934014913,1.5961214949654103,1.01,1.01,1.01,1.01,1.01,1.01,1.01,1.01,1.01,1.01,1.01,0.34,0.9089107258870807,1.331446055696656,1.644794302758994,1.8766054934229561,2.049444780376877,2.1776573497621756,2.2721855207007535,2.342608074455732,2.3950241065985085,2.4338785050345892,first
+276,4.2,92,2.160764745763812e+16,2.1,0.7419373447293773,74.8,Ring,None,0,0.08364345471101324,0.04893249224009481,2.39,2.0034491259095537,1.717268759573239,1.4962685124913357,1.3221820339248562,1.1816185520574412,1.0640123735029425,0.9646757306397369,0.8801961130338618,0.8074826514139634,0.7440590537922049,2.84,2.4534491259095534,2.1672687595732385,1.9462685124913355,1.772182033924856,1.6316185520574409,1.5140123735029423,1.4146757306397366,1.3301961130338615,1.2574826514139632,1.1940590537922047,2.17,2.5565508740904463,2.8427312404267613,3.0637314875086643,3.2378179660751436,3.3783814479425587,3.4959876264970573,3.5953242693602627,3.679803886966138,3.7525173485860366,3.815940946207795,second
+274,7.53,95,2.806072669280086e+16,4.13,1.4182774069729414,66.4,Unknown,Enzyme,0,0.02172173174955307,0.01400949111531815,8.94,8.922622614600357,8.905245229200714,8.887867843801072,8.870490458401429,8.853113073001786,8.835735687602144,8.818358302202501,8.800980916802859,8.783603531403216,8.766226146003573,1.49,1.49,1.49,1.49,1.49,1.49,1.49,1.49,1.49,1.49,1.49,4.8,4.8173773853996416,4.834754770799284,4.852132156198927,4.869509541598569,4.886886926998212,4.904264312397855,4.921641697797497,4.93901908319714,4.956396468596782,4.973773853996424,zero
+279,8.05,95,3.843345682832798e+17,2.62,0.9631743177730056,137.5,Unknown,Acid,0,0.6281719461477813,0.5253023228912765,8.17,4.94269914855918,2.9885943532594084,1.8101580677550122,1.0942859103081508,0.6632229219197028,0.40085669243924,0.24300427812662312,0.14686956456731137,0.08903434863945603,0.053866073047581856,4.47,4.47,4.47,4.47,4.47,4.47,4.47,4.47,4.47,4.47,4.47,2.62,5.847300851440819,7.801405646740592,8.979841932244987,9.69571408969185,10.126777078080298,10.38914330756076,10.546995721873378,10.643130435432688,10.700965651360544,10.736133926952418,first
+270,4.44,90,1.2590987471903098e+17,1.01,0.009950330853168092,104.3,Unknown,Enzyme,0,0.4873985899842979,0.3077397596133895,2.77,0.879150339549559,0.522477368304852,0.37149172619953486,0.288428144651431,0.23557971150196672,0.19922530193076413,0.17238768825136586,0.15212859975830345,0.13609194569043148,0.12303441637698145,0.91,0.91,0.91,0.91,0.91,0.91,0.91,0.91,0.91,0.91,0.91,3.39,4.335424830225221,4.5137613158475745,4.589254136900234,4.630785927674285,4.657210144249017,4.675387349034619,4.688806155874318,4.698935700120849,4.706954027154786,4.7134827918115105,second
+277,7.87,94,2.2299601582204804e+16,1.88,0.6312717768418578,121.8,Unknown,None,1,0.041862232290713425,0.03190152117349924,8.19,7.948437375085749,7.720717125619897,7.50603293146365,7.303643366259665,7.112858240663877,6.933018632504979,6.763496886784428,6.603696615676442,6.4530526985279995,6.311031281858843,0.17,0.17,0.17,0.17,0.17,0.17,0.17,0.17,0.17,0.17,0.17,1.0,1.2415626249142497,1.469282874380101,1.683967068536349,1.8863566337403335,2.0771417593361217,2.2569813674950194,2.4265031132155706,2.586303384323557,2.736947301471999,2.878968718141156,first
+278,2.27,97,9.539174443124117e+16,4.48,1.4996230464268938,149.1,Unknown,Enzyme,0,0.05663655693248618,0.048938541104759814,8.75,8.70469075445401,8.659381508908021,8.614072263362033,8.568763017816044,8.523453772270054,8.478144526724066,8.432835281178077,8.387526035632089,8.342216790086098,8.29690754454011,4.47,4.47,4.47,4.47,4.47,4.47,4.47,4.47,4.47,4.47,4.47,2.3,2.3453092455459887,2.3906184910919777,2.4359277366379666,2.4812369821839555,2.5265462277299444,2.5718554732759333,2.6171647188219227,2.6624739643679116,2.7077832099139005,2.7530924554598895,zero
+272,1.42,91,9.331114541232986e+16,4.78,1.5644405465033646,77.6,Linear,Base,1,0.3117041941436194,0.17208624575618778,2.08,1.1579382857351543,0.9281880670793806,0.8502956685520733,0.8212584996436556,0.8103991736057103,0.8059278219363551,0.8043365446938756,0.8035236807695237,0.8034951220626885,0.8032922015180237,4.05,4.05,4.05,4.05,4.05,4.05,4.05,4.05,4.05,4.05,4.05,0.53,0.9910308571324229,1.1059059664603097,1.1448521657239632,1.159370750178172,1.1648004131971448,1.1670360890318223,1.167831727653062,1.168238159615238,1.1682524389686557,1.1683538992409883,second
+279,9.86,93,2.3868034519749907e+17,0.53,-0.6348782724359695,119.0,Ring,None,0,0.9239343932779179,0.6285038796806081,8.81,8.070852485377667,7.331704970755332,6.592557456132997,5.853409941510663,5.114262426888329,4.375114912265994,3.63596739764366,2.8968198830213243,2.1576723683989902,1.4185248537766562,4.78,4.78,4.78,4.78,4.78,4.78,4.78,4.78,4.78,4.78,4.78,2.27,3.0091475146223345,3.7482950292446686,4.487442543867004,5.226590058489338,5.965737573111672,6.704885087734007,7.444032602356341,8.183180116978676,8.92232763160101,9.661475146223346,zero
+273,7.65,98,2.4866899979921088e+17,2.3,0.8329091229351039,178.8,Linear,Acid,1,0.04406035652301696,0.03516271103422331,2.22,1.5785069829877465,1.2972133874968088,1.1467702073214867,1.059474607503778,1.0055119479227002,0.9713126766287903,0.949692528970143,0.9350635458629323,0.9255986621313627,0.9194451219405285,3.38,3.059253491493873,2.9186066937484045,2.843385103660743,2.799737303751889,2.7727559739613503,2.7556563383143953,2.744846264485072,2.7375317729314665,2.732799331065682,2.7297225609702647,2.15,2.4707465085061266,2.6113933062515953,2.6866148963392567,2.730262696248111,2.7572440260386495,2.7743436616856045,2.785153735514928,2.7924682270685333,2.797200668934318,2.800277439029735,third
+273,11.09,96,3.777624959719763e+17,3.12,1.1378330018213911,33.7,Branched,None,0,0.16155870935087188,0.11971496162783274,7.03,6.09606130326809,5.715384394810955,5.5422940201314335,5.459809545705005,5.4195882420453145,5.399703081850615,5.38980705447191,5.384892413226137,5.382444593267859,5.381219552044636,1.65,0.7160613032680901,0.3353843948109548,0.1622940201314337,0.07980954570500495,0.03958824204531457,0.019703081850615426,0.009807054471910246,0.004892413226136544,0.0024445932678592067,0.0012195520446370782,3.29,4.22393869673191,4.6046156051890454,4.777705979868567,4.860190454294996,4.900411757954686,4.920296918149385,4.93019294552809,4.935107586773864,4.937555406732141,4.938780447955364,second
+272,12.48,90,3.391925436811568e+17,1.38,0.3220834991691132,88.2,Unknown,None,0,1.7631995885223062,1.5335332783187894,7.67,7.040028385253147,7.039999096794185,7.039999381012446,7.0400003463699,7.039999149457158,7.039999492496348,7.040000216169513,7.0399992866147425,7.040000206451035,7.0400003022724835,0.63,2.8385253146660047e-05,-9.032058152827145e-07,-6.189875544384696e-07,3.4636989888464e-07,-8.505428436432234e-07,-5.07503655075952e-07,2.1616951102086452e-07,-7.133852598122282e-07,2.0645103265534503e-07,3.022724807838398e-07,0.99,1.6199716147468535,1.6200009032058154,1.6200006189875547,1.6199996536301011,1.6200008505428438,1.6200005075036552,1.619999783830489,1.6200007133852599,1.6199997935489676,1.6199996977275193,second
+276,4.4,93,2.8999505857956454e+17,2.65,0.9745596399981308,59.6,Branched,None,0,0.7260262061041856,0.5392260527004945,5.65,3.1607717422028005,1.7671879215176696,0.9898860203453141,0.5535899654099883,0.3099080188503275,0.17360988143599348,0.0970588345948079,0.0544047744568482,0.030422066470589138,0.01704607718294587,3.49,3.49,3.49,3.49,3.49,3.49,3.49,3.49,3.49,3.49,3.49,1.72,4.2092282577972,5.602812078482331,6.380113979654686,6.816410034590012,7.0600919811496725,7.196390118564007,7.272941165405192,7.315595225543151,7.3395779335294105,7.352953922817054,first
+276,1.51,91,2.1303541266285428e+16,2.44,0.8919980393051105,92.4,Linear,Base,0,0.12750847624447262,0.11277631542669213,4.19,3.7836677111717254,3.4167410596021233,3.0852359638936373,2.7856946141176815,2.5152713041481976,2.2712770556837567,2.0511762584354716,1.8525866701269944,1.6732794164945224,1.5111789912867923,1.67,1.67,1.67,1.67,1.67,1.67,1.67,1.67,1.67,1.67,1.67,3.35,3.756332288828275,4.123258940397877,4.454764036106363,4.754305385882319,5.0247286958518025,5.268722944316243,5.488823741564529,5.6874133298730065,5.866720583505478,6.028821008713209,first
+276,10.74,95,2.3082950248322205e+17,4.62,1.5303947050936475,185.5,Ring,None,0,0.24172827890085719,0.12773283976214606,5.6,4.6153183079962545,3.8038069052553167,3.1335329276475083,2.580671569825892,2.1268284281075935,1.7547367453405358,1.4482535526751148,1.193760304008007,0.9838558899684511,0.8108857850520695,2.96,2.96,2.96,2.96,2.96,2.96,2.96,2.96,2.96,2.96,2.96,4.98,4.98,4.98,4.98,4.98,4.98,4.98,4.98,4.98,4.98,4.98,first
+279,7.68,100,1.0521901912781309e+17,3.22,1.169381359556317,26.6,Linear,Enzyme,0,0.01992162996236573,0.017182536416669583,1.98,1.948694265171413,1.9178835046970513,1.8875598925654304,1.857715723865349,1.828343417925301,1.7994355196122358,1.770984687358178,1.7429836928556033,1.715425421057437,1.6883028701770537,0.63,0.63,0.63,0.63,0.63,0.63,0.63,0.63,0.63,0.63,0.63,2.77,2.801305734828587,2.8321164953029485,2.8624401074345696,2.8922842761346508,2.9216565820746987,2.950564480387764,2.9790153126418217,3.0070163071443963,3.034574578942563,3.061697129822946,first
+277,1.13,91,1.3634497041670435e+17,2.45,0.8960880245566357,78.8,Linear,Enzyme,1,0.9416791537795771,0.7103425607220694,9.9,3.0450529109192863,3.0453963412309975,3.045368158949623,3.0453293647136923,3.0451865313056032,3.044567386608613,3.0449358294848463,3.0451115296700135,3.044809380306141,3.0449377571537366,4.05,0.6225264554596426,0.6226981706154983,0.6226840794748114,0.6226646823568456,0.6225932656528012,0.6222836933043063,0.6224679147424229,0.6225557648350069,0.6224046901530705,0.6224688785768681,4.22,7.647473544540358,7.647301829384503,7.64731592052519,7.647335317643156,7.647406734347201,7.6477163066956955,7.647532085257579,7.647444235164995,7.64759530984693,7.647531121423133,third
+278,10.41,90,2.6316872624371613e+17,4.65,1.536867219599265,54.7,Linear,Acid,1,3.2294499210621,1.9548507124018453,3.49,1.4877775032162857,1.4875457036894313,1.4876435162714106,1.4881383586548842,1.4888757257859484,1.489616722091956,1.4901446562336567,1.490090021827799,1.489545248849978,1.4887482044609113,2.53,2.53,2.53,2.53,2.53,2.53,2.53,2.53,2.53,2.53,2.53,4.78,5.447407498927906,5.447484765436857,5.447452161242862,5.447287213781704,5.447041424738014,5.446794425969344,5.44661844792211,5.446636659390729,5.446818250383335,5.4470839318463575,third
+270,1.79,94,4.140715948413148e+17,2.26,0.8153648132841944,154.1,Branched,Enzyme,0,0.2697897514530829,0.18562577673952105,2.7,2.1758401722894076,1.7534583095291632,1.4122414328952673,1.1372872542396728,0.9168516342656132,0.7400111364384072,0.596787777001688,0.48087221915283734,0.3875503417480224,0.312370712926273,0.89,0.89,0.89,0.89,0.89,0.89,0.89,0.89,0.89,0.89,0.89,4.99,4.99,4.99,4.99,4.99,4.99,4.99,4.99,4.99,4.99,4.99,first
+275,10.44,92,4.8159645677821344e+17,0.58,-0.5447271754416722,127.3,Branched,None,1,1.6113532442409404,1.4466234481984968,4.19,3.407639856595995,3.4080735120534693,3.4081106272885777,3.408454270383005,3.4068579219538173,3.4060405971141576,3.4068147684229375,3.408059163162635,3.4091973605704813,3.407764750262642,2.08,1.2976398565959948,1.2980735120534685,1.2981106272885772,1.2984542703830049,1.2968579219538174,1.2960405971141578,1.296814768422938,1.2980591631626355,1.2991973605704816,1.2977647502626424,4.14,4.922360143404006,4.921926487946532,4.921889372711424,4.921545729616996,4.923142078046183,4.923959402885843,4.923185231577063,4.921940836837366,4.92080263942952,4.9222352497373585,second
+273,8.06,96,7.689465736422173e+16,2.38,0.8671004876833833,27.0,Unknown,None,0,0.03288574628822539,0.021405577642905488,7.18,3.221724915898002,2.3066046601521237,1.851079621889497,1.5694823081281144,1.3730997911495226,1.228182823820382,1.1138814000858537,1.0220856722433547,0.9467631732791703,0.8830893201907,4.59,2.6108624579490014,2.153302330076062,1.9255398109447484,1.784741154064057,1.686549895574761,1.6140914119101908,1.5569407000429267,1.5110428361216772,1.473381586639585,1.4415446600953499,0.44,2.419137542050999,2.876697669923938,3.104460189055252,3.2452588459359433,3.343450104425239,3.4159085880898092,3.4730592999570735,3.518957163878323,3.556618413360415,3.5884553399046504,third
+273,7.1,93,1.1720997495108523e+17,2.76,1.0152306797290584,85.3,Branched,Acid,0,0.18797663607797555,0.14482300238648527,7.96,7.8096186911376195,7.659237382275239,7.508856073412859,7.358474764550478,7.208093455688098,7.057712146825717,6.907330837963336,6.756949529100956,6.606568220238575,6.456186911376194,4.65,4.65,4.65,4.65,4.65,4.65,4.65,4.65,4.65,4.65,4.65,3.56,3.7103813088623805,3.860762617724761,4.011143926587141,4.161525235449521,4.311906544311903,4.462287853174283,4.6126691620366636,4.763050470899044,4.913431779761425,5.063813088623807,zero
+278,11.71,95,2.0986015999506794e+17,4.0,1.3862943611198906,179.8,Ring,None,0,0.296018192144544,0.16856880418378284,6.34,3.928887477316344,3.2823062044763986,3.024602588882479,2.9064894229302123,2.8489849687199094,2.820200545131328,2.8055403433894788,2.7979999296345306,2.794130743500006,2.79213541928456,3.55,1.1388874773163438,0.4923062044763986,0.23460258888247854,0.11648942293021212,0.058984968719909214,0.030200545131327954,0.015540343389478559,0.00799992963453041,0.00413074350000598,0.0021354192845598014,3.34,5.7511125226836555,6.397693795523601,6.655397411117521,6.773510577069787,6.83101503128009,6.859799454868672,6.874459656610521,6.88200007036547,6.885869256499994,6.887864580715441,second
+278,9.44,100,1.2745810578172174e+17,1.81,0.5933268452777344,174.9,Branched,Acid,0,0.020665693726525908,0.015437548219135988,6.76,2.879175653294997,2.135697638370645,1.772277041309153,1.5489249298814818,1.3919514899592365,1.2761038262546378,1.1841912606753797,1.1095101833274517,1.0476089579893206,0.9949908371059181,1.07,1.07,1.07,1.07,1.07,1.07,1.07,1.07,1.07,1.07,1.07,3.56,4.853608115568334,5.101434120543118,5.2225743195636145,5.297025023372838,5.34934950334692,5.3879653912484535,5.418602913108206,5.443496605557516,5.4641303473368925,5.481669720964693,third
+272,12.8,94,1.8774870041987606e+17,3.58,1.275362800412609,63.0,Ring,Acid,1,0.16643624318951017,0.0911249645513868,5.55,2.3291856842381318,1.9969883275504663,1.8979430143840041,1.8631910107247749,1.8500957625240186,1.8450314265734928,1.8433210015085637,1.8424461081342063,1.8421707984268356,1.8422308778586864,2.3,0.689592842119066,0.5234941637752334,0.4739715071920023,0.4565955053623878,0.4500478812620096,0.4475157132867468,0.4466605007542822,0.4462230540671035,0.44608539921341817,0.44611543892934363,0.91,2.5204071578809337,2.6865058362247667,2.7360284928079976,2.7534044946376124,2.7599521187379903,2.7624842867132533,2.763339499245718,2.7637769459328965,2.763914600786582,2.763884561070656,third
+277,8.36,92,2.0126032851217853e+17,3.22,1.169381359556317,22.9,Linear,Base,1,0.900414527371764,0.46658384541704334,1.18,0.5091099243420824,0.44573019053694896,0.43829346564134036,0.4374295650147613,0.4373891468838608,0.4373811933885274,0.4370893660426311,0.437733603556118,0.437086980261602,0.43763154634376183,2.76,2.089109924342082,2.0257301905369487,2.0182934656413396,2.0174295650147607,2.0173891468838603,2.017381193388527,2.017089366042631,2.0177336035561173,2.017086980261601,2.0176315463437615,0.96,1.6308900756579177,1.694269809463051,1.7017065343586595,1.7025704349852386,1.7026108531161392,1.7026188066114727,1.702910633957369,1.702266396443882,1.702913019738398,1.7023684536562382,second
+280,3.56,91,4.466946867220227e+17,3.79,1.332366019094335,109.3,Unknown,Enzyme,0,4.711287979216465,3.904370097463488,7.09,4.770000037281562,4.769999072057446,4.769997473001889,4.769997984117184,4.770000265224927,4.76999998927268,4.770000709628055,4.7700021305502,4.770001934602505,4.770000425357456,1.16,1.8640781155681838e-08,-4.6397127689917896e-07,-1.2634990545703594e-06,-1.0079414060207436e-06,1.3261246562895883e-07,-5.3636567091429355e-09,3.548140303941455e-07,1.0652751030600184e-06,9.673012565585817e-07,2.1267873147681298e-07,4.92,6.07999998135922,6.080000463971275,6.080001263499054,6.080001007941405,6.079999867387533,6.080000005363654,6.079999645185965,6.079998934724891,6.079999032698738,6.079999787321264,third
+275,7.76,96,3.452211657395041e+17,3.54,1.264126727145683,184.2,Branched,Acid,0,0.2008171811600122,0.10261856422038426,3.34,1.6177812327301135,1.0651592159798624,0.7946773969067997,0.6337001328233685,0.52664747389562,0.450621163507683,0.3941526654793809,0.34981732781660185,0.31451301336613763,0.28569065117614223,2.78,2.78,2.78,2.78,2.78,2.78,2.78,2.78,2.78,2.78,2.78,3.23,4.091109383634944,4.367420392010069,4.5026613015466,4.583149933588316,4.636676263052189,4.6746894182461585,4.702923667260309,4.725091336091699,4.742743493316931,4.757154674411929,second
+270,13.65,93,3.8727650876242963e+17,1.05,0.04879016416943205,91.1,Linear,Acid,1,0.3939487986481701,0.3023287743956533,1.18,1.3953867939793523,1.4258348528132574,1.4296351812411954,1.4300051333723292,1.4298893514318884,1.4317931251162284,1.4288488929532615,1.430098719223256,1.429245843741433,1.4298970519805292,1.03,1.03,1.03,1.03,1.03,1.03,1.03,1.03,1.03,1.03,1.03,2.79,2.682306603010324,2.6670825735933716,2.665182409379402,2.664997433313835,2.6650553242840553,2.6641034374418853,2.665575553523369,2.664950640388372,2.665377078129283,2.665051474009735,second
+271,11.32,100,4.1056665739636936e+16,2.45,0.8960880245566357,96.8,Unknown,Acid,1,0.0021772716506714748,0.0011804851693441743,9.0,6.647575267933043,5.512713017744614,4.813147807793176,4.329049936451507,3.974049827796436,3.6927529908006194,3.466202402761591,3.280643163104268,3.124410297176376,2.988933949379983,2.26,2.26,2.26,2.26,2.26,2.26,2.26,2.26,2.26,2.26,2.26,2.73,3.514141577355652,3.8924289940851287,4.125617397402275,4.286983354516164,4.405316724067855,4.499082336399794,4.574599199079469,4.636452278965244,4.688529900941208,4.733688683540006,third
+271,2.51,97,4.7598014055720634e+17,4.48,1.4996230464268938,126.3,Unknown,Acid,0,0.09558327474187912,0.06360123946497061,6.53,3.280117250907213,2.1855958517724083,1.6408051432293416,1.3121381764189546,1.093912288320335,0.9370029588534766,0.8206846402633097,0.729407943027093,0.656221707325553,0.5963959694534942,1.1,1.1,1.1,1.1,1.1,1.1,1.1,1.1,1.1,1.1,1.1,4.64,6.264941374546393,6.812202074113795,7.084597428385329,7.248930911790522,7.358043855839831,7.436498520573261,7.494657679868344,7.540296028486453,7.576889146337223,7.606802015273252,second
+273,3.23,96,3.6474685739786605e+17,1.84,0.6097655716208943,76.3,Unknown,Enzyme,0,0.15599227596525947,0.1033970539193877,3.75,3.310045188381041,2.921697986582717,2.578441549382852,2.2752525889847073,2.007910444525326,1.7724200629834734,1.5650119991796383,1.382142415776032,1.2204930832765897,1.077326942950568,2.69,2.69,2.69,2.69,2.69,2.69,2.69,2.69,2.69,2.69,2.69,1.72,2.1599548116189586,2.548302013417283,2.891558450617148,3.1947474110152925,3.4620895554746736,3.6975799370165263,3.9049880008203615,4.0878575842239675,4.24950691672341,4.392673057049431,first
+278,12.15,96,1.4391422706166245e+17,2.99,1.095273387402595,139.7,Ring,Base,0,0.1317015715025009,0.06867601187568716,7.3,1.2433799957854335,0.8855631800973284,0.7244901633259486,0.6278621797626783,0.5621807627986355,0.5134644285843741,0.47526487033514947,0.4447912823497565,0.4196599409734761,0.3981270266417895,2.34,2.34,2.34,2.34,2.34,2.34,2.34,2.34,2.34,2.34,2.34,4.73,6.748873334738189,6.868145606634224,6.921836612224684,6.954045940079107,6.975939745733788,6.992178523805209,7.004911709888284,7.015069572550082,7.023446686342175,7.030624324452737,third
+270,10.95,93,4.164594948597584e+17,3.61,1.2837077723447896,175.4,Ring,Enzyme,0,0.4236345710972844,0.37950282927636164,6.21,5.871092343122172,5.532184686244345,5.193277029366517,4.85436937248869,4.515461715610862,4.176554058733034,3.8376464018552072,3.4987387449773797,3.1598310880995517,2.820923431221724,4.89,4.89,4.89,4.89,4.89,4.89,4.89,4.89,4.89,4.89,4.89,1.14,1.4789076568778274,1.8178153137556552,2.1567229706334827,2.4956306275113103,2.834538284389138,3.1734459412669658,3.512353598144793,3.8512612550226204,4.190168911900448,4.529076568778276,zero
+280,3.25,95,5.530819734566064e+16,1.17,0.1570037488096647,109.6,Ring,Acid,0,0.10463627598336653,0.055585971137254796,8.04,2.5492737526355866,1.9082962670418433,1.6135882967232171,1.4364440531512197,1.314266277546023,1.2247878959798977,1.155441593308839,1.0994220479490122,1.0533696121794958,1.0146333423516096,3.72,0.9746368763177939,0.6541481335209223,0.5067941483616092,0.4182220265756104,0.3571331387730121,0.31239394798994946,0.2777207966544202,0.2497110239745067,0.22668480608974848,0.2073166711758055,1.66,4.405363123682206,4.725851866479077,4.873205851638391,4.96177797342439,5.022866861226988,5.067606052010051,5.10227920334558,5.1302889760254935,5.1533151939102515,5.172683328824195,third
+274,7.19,93,2.9731909575186086e+17,0.78,-0.2484613592984996,61.3,Ring,Base,1,0.5537412167954843,0.30564867826051234,3.5,1.498172949031463,1.1936641005481519,1.1215135395463833,1.1029733948976475,1.0982254238062736,1.0966827874804324,1.096425295907465,1.0962123610675591,1.096435712013412,1.0963011870233794,3.75,1.748172949031463,1.4436641005481519,1.3715135395463833,1.3529733948976475,1.3482254238062736,1.3466827874804324,1.346425295907465,1.3462123610675591,1.346435712013412,1.3463011870233794,0.27,2.2718270509685365,2.5763358994518475,2.6484864604536162,2.667026605102352,2.6717745761937257,2.6733172125195668,2.6735747040925344,2.67378763893244,2.6735642879865873,2.67369881297662,second
+275,7.85,97,2.63789865153354e+17,2.73,1.0043016091968684,84.6,Linear,Enzyme,1,0.0990856019485124,0.06642470115108787,1.63,1.1646954317628502,1.0077533658912836,0.9373800162817828,0.9013917546326676,0.88287315326434,0.8722574327627347,0.866671554976233,0.863647521535833,0.8617672275827865,0.8607506904720946,4.51,4.51,4.51,4.51,4.51,4.51,4.51,4.51,4.51,4.51,4.51,0.69,0.8451015227457165,0.8974155447029054,0.9208733279060722,0.932869415122444,0.9390422822452199,0.942580855745755,0.9444428150079222,0.9454508261547222,0.9460775908057377,0.9464164365093017,third
+278,8.96,99,2.1949486351162938e+17,4.45,1.4929040961781488,52.7,Linear,Acid,1,0.05485397005126454,0.029584723047079296,4.08,3.0850125338747434,2.5320195749033427,2.183045818452833,1.9517155675942437,1.7906356577526612,1.6773805340326695,1.5939834464364708,1.5321061655574566,1.4865253229416187,1.452271478181924,3.2,3.2,3.2,3.2,3.2,3.2,3.2,3.2,3.2,3.2,3.2,1.96,2.457493733062628,2.7339902125483286,2.9084770907735833,3.024142216202878,3.1046821711236694,3.161309732983665,3.2030082767817643,3.2339469172212714,3.2567373385291902,3.2738642609090376,second
+273,2.13,95,4.7862457636397254e+17,2.03,0.7080357930536959,113.4,Ring,Enzyme,0,0.31801610852725665,0.2298883547122312,3.2,2.9455871131781945,2.691174226356389,2.4367613395345837,2.1823484527127786,1.927935565890973,1.6735226790691673,1.4191097922473621,1.1646969054255565,0.9102840186037515,0.6558711317819457,2.07,2.07,2.07,2.07,2.07,2.07,2.07,2.07,2.07,2.07,2.07,2.83,3.0844128868218057,3.3388257736436113,3.5932386604654165,3.8476515472872217,4.102064434109027,4.356477320930833,4.610890207752638,4.865303094574443,5.119715981396249,5.374128868218055,zero
+274,5.59,97,6.338036784178689e+16,1.07,0.06765864847381486,184.1,Branched,Enzyme,0,0.020392091565878154,0.013199409391890814,1.86,1.8436863267472976,1.827372653494595,1.8110589802418926,1.79474530698919,1.7784316337364876,1.762117960483785,1.7458042872310826,1.7294906139783799,1.7131769407256774,1.696863267472975,1.75,1.75,1.75,1.75,1.75,1.75,1.75,1.75,1.75,1.75,1.75,0.41,0.42631367325270253,0.44262734650540503,0.4589410197581076,0.4752546930108101,0.49156836626351263,0.5078820395162151,0.5241957127689176,0.5405093860216202,0.5568230592743227,0.5731367325270252,zero
+277,11.77,92,5.682439567448847e+16,1.13,0.12221763272424911,97.2,Linear,None,1,0.25422551852455394,0.18346783162524183,9.6,6.343671918165579,5.865101795487644,5.767803957984995,5.746788353488508,5.742140833152583,5.740859504845418,5.740897028176272,5.740472645872447,5.741072882890427,5.7407845031173625,4.88,1.62367191816558,1.145101795487646,1.0478039579849967,1.0267883534885103,1.0221408331525847,1.02085950484542,1.0208970281762746,1.0204726458724482,1.0210728828904292,1.0207845031173637,4.26,7.51632808183442,7.994898204512355,8.092196042015004,8.113211646511491,8.117859166847417,8.119140495154582,8.119102971823727,8.119527354127554,8.118927117109573,8.119215496882639,second
+278,6.23,95,4.0901609729170586e+17,2.08,0.7323678937132266,154.8,Ring,Acid,0,0.5769375458455439,0.44378817983166813,6.84,2.238416914136901,2.151025196258235,2.1413219359471025,2.1401600379414503,2.1400194966655746,2.140002763551063,2.1400004725212805,2.1399995189088012,2.140000527214899,2.140000139192167,2.35,0.0492084570684504,0.005512598129117447,0.0006609679735511424,8.001897072492798e-05,9.748332787176446e-06,1.3817755312812644e-06,2.3626064020532208e-07,-2.405455996228408e-07,2.6360744950413985e-07,6.959608327268444e-08,3.35,5.650791542931549,5.694487401870883,5.699339032026449,5.699919981029275,5.699990251667213,5.699998618224469,5.69999976373936,5.7000002405456005,5.6999997363925505,5.6999999304039175,third
+276,5.14,94,4.0093418643717114e+17,2.81,1.0331844833456545,20.5,Linear,Base,0,0.6491902827924448,0.36109939821488324,1.48,0.8802304334886742,0.5237281739300368,0.311533193245433,0.18553476998964324,0.11042166775639772,0.06571579990111978,0.03913501436439389,0.023277403394906443,0.013869801102314241,0.00825404206070323,2.67,2.67,2.67,2.67,2.67,2.67,2.67,2.67,2.67,2.67,2.67,0.08,0.08,0.08,0.08,0.08,0.08,0.08,0.08,0.08,0.08,0.08,first
+279,2.37,90,1.9911112144010032e+17,3.25,1.1786549963416462,89.6,Ring,Base,0,2.809332067103177,2.4634325374403563,8.52,0.27285588009509815,0.19289511116973265,0.15758607236801048,0.13638516491985175,0.12207566295701527,0.11136029955128474,0.10312096419518771,0.09651839057130962,0.09097845868619903,0.08629027571031482,1.76,1.76,1.76,1.76,1.76,1.76,1.76,1.76,1.76,1.76,1.76,2.22,4.9690480399683,4.995701629610088,5.007471309210662,5.014538278360049,5.0193081123476615,5.022879900149571,5.025626345268271,5.0278272031428966,5.0296738471046,5.031236574763228,third
+272,7.44,96,1.5115825446062304e+17,3.92,1.366091653802371,30.0,Unknown,Base,1,0.055336377548463524,0.030072596221751232,2.19,2.1723310497052934,2.1558290549153525,2.140417014974729,2.126022755564337,2.112578451771554,2.100022191887479,2.088295860311765,2.0773445955937633,2.067116790432523,2.057564091676791,2.46,2.46,2.46,2.46,2.46,2.46,2.46,2.46,2.46,2.46,2.46,3.27,3.2876689502947065,3.3041709450846475,3.319582985025271,3.333977244435663,3.347421548228446,3.359977808112521,3.371704139688235,3.3826554044062367,3.392883209567477,3.4024359083232087,first
+272,2.69,98,3.780732218912536e+17,5.0,1.6094379124341003,147.1,Branched,Acid,1,0.057156110714977795,0.042797493889413986,4.73,2.4720063634771714,1.950731582195852,1.7352103500071854,1.6291689434446923,1.5737029192881782,1.5434691522917425,1.5269591949714905,1.517150796451493,1.5122567480855649,1.5092872029867759,3.18,2.0510031817385856,1.790365791097926,1.6826051750035926,1.6295844717223462,1.6018514596440891,1.5867345761458713,1.5784795974857453,1.5735753982257465,1.5711283740427824,1.5696436014933879,3.13,4.258996818261415,4.519634208902074,4.627394824996407,4.680415528277654,4.708148540355912,4.723265423854129,4.731520402514255,4.736424601774254,4.738871625957218,4.740356398506613,third
+279,7.57,97,3.041856753777902e+17,1.63,0.4885800148186709,72.7,Unknown,Base,0,0.20991934374174165,0.12932558698275762,2.79,2.3586854107751742,1.9940566804973314,1.685236108405759,1.4237406639280177,1.203221145467276,1.0176654522262718,0.8613886956921168,0.7290331996362951,0.6163568408739987,0.5210741061289925,4.82,4.82,4.82,4.82,4.82,4.82,4.82,4.82,4.82,4.82,4.82,3.73,3.73,3.73,3.73,3.73,3.73,3.73,3.73,3.73,3.73,3.73,first
+270,3.85,91,1.4907053916939072e+17,2.76,1.0152306797290584,99.1,Branched,Base,0,0.36961337804128525,0.2092285930296914,2.32,1.726090598028795,1.2842204408354752,0.954609837921009,0.710410613112984,0.5295029225423395,0.39377991149053204,0.29287786843270847,0.2182145877763761,0.1624285618188388,0.12085168851514969,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,4.1,4.693909401971204,5.135779559164524,5.46539016207899,5.709589386887015,5.89049707745766,6.026220088509467,6.12712213156729,6.2017854122236225,6.25757143818116,6.299148311484849,first
+272,7.84,93,3.533580312248461e+16,3.31,1.1969481893889715,168.4,Branched,Base,1,0.048745214394006205,0.02880648144007299,7.2,2.146257352041618,1.7299841756461913,1.595135123989705,1.542204125679791,1.5195182488320733,1.509507097067871,1.505155343785251,1.5034409929106898,1.502378433271421,1.5020332912381946,2.5,2.5,2.5,2.5,2.5,2.5,2.5,2.5,2.5,2.5,2.5,3.83,5.514580882652794,5.653338608117935,5.698288292003431,5.715931958106736,5.7234939170559755,5.726830967644042,5.728281552071582,5.728853002363103,5.729207188909526,5.729322236253934,third
+271,2.58,94,1.5751738116084378e+17,4.16,1.425515074273172,179.2,Linear,Base,0,0.11978038018928412,0.08327347081944905,7.99,7.894175695848573,7.798351391697145,7.702527087545718,7.606702783394291,7.510878479242864,7.415054175091436,7.319229870940009,7.223405566788582,7.127581262637154,7.031756958485727,2.09,2.09,2.09,2.09,2.09,2.09,2.09,2.09,2.09,2.09,2.09,3.54,3.6358243041514275,3.731648608302855,3.827472912454282,3.923297216605709,4.019121520757136,4.114945824908564,4.210770129059991,4.306594433211418,4.402418737362846,4.498243041514273,zero
+277,8.84,90,2.9378610400392294e+17,4.1,1.410986973710262,96.4,Unknown,Acid,1,3.132381155944067,2.1647122025295515,3.27,0.974558900194154,0.9747711405402729,0.9750379856335731,0.9744373218174762,0.9755092889763939,0.9748441908866453,0.9753612035781876,0.9742783838799355,0.9751353356045066,0.975019326527427,3.96,2.8122794500970785,2.8123855702701377,2.8125189928167877,2.81221866090874,2.812754644488199,2.8124220954433246,2.8126806017890957,2.8121391919399694,2.812567667802255,2.812509663263714,2.72,3.867720549902922,3.867614429729863,3.867481007183213,3.8677813390912608,3.867245355511802,3.867577904556676,3.867319398210905,3.867860808060031,3.8674323321977457,3.8674903367362865,third
+276,3.4,95,4.1426534745148954e+17,2.47,0.9042181506398859,155.4,Branched,Base,1,0.4338251755968363,0.24543485417227165,2.03,2.0319493279967396,2.033602733845719,2.0342604475888773,2.033833891273576,2.033108472862666,2.033420079591636,2.0338997843880207,2.034091102154535,2.034042509272247,2.0340208443297887,4.32,4.32,4.32,4.32,4.32,4.32,4.32,4.32,4.32,4.32,4.32,3.6,3.5980506720032603,3.596397266154281,3.5957395524111226,3.596166108726424,3.596891527137334,3.596579920408364,3.5961002156119792,3.5959088978454647,3.595957490727753,3.595979155670211,first
+270,13.73,99,3.379436291648219e+17,2.13,0.7561219797213337,96.4,Unknown,None,0,0.023738386028137066,0.019492683827276085,1.25,1.2068869583672717,1.166188183236026,1.1277052681354214,1.0912675879423464,1.0567225023106503,1.023928995736197,0.9927576775568634,0.9630907819525406,0.9348221679451332,0.9078573193985597,1.87,1.8268869583672718,1.786188183236026,1.7477052681354215,1.7112675879423465,1.6767225023106505,1.643928995736197,1.6127576775568635,1.5830907819525408,1.5548221679451333,1.5278573193985598,0.16,0.20311304163272842,0.24381181676397412,0.28229473186457876,0.3187324120576538,0.3532774976893497,0.3860710042638031,0.41724232244313664,0.4469092180474595,0.47517783205486697,0.5021426806014404,second
+279,1.51,100,3.509283679165568e+17,0.9,-0.10536051565782628,160.3,Linear,None,1,0.06644297910093896,0.05104312871644899,5.41,1.9296061267336237,1.658685886962653,1.5921755151484867,1.5736029676611047,1.5676417540017815,1.5659525742772167,1.5654857876671504,1.5654410835586399,1.5652003294916264,1.5654149846695302,4.71,4.71,4.71,4.71,4.71,4.71,4.71,4.71,4.71,4.71,4.71,3.71,4.870131291088792,4.960438037679116,4.982608161617172,4.9887990107796325,4.990786081999407,4.9913491419075955,4.991504737444284,4.991519638813788,4.991599890169459,4.991528338443491,third
+277,4.53,98,2.962172689951369e+17,2.66,0.9783261227936078,184.6,Branched,Acid,0,0.09790786489142128,0.054886684559824525,3.63,3.1255200657079767,2.780334565803638,2.53124872514846,2.3446182371386737,2.1987510799821446,2.0833423512661193,1.9905224047485026,1.91410097729947,1.8505117617582494,1.79721922152362,2.18,1.6755200657079767,1.3303345658036387,1.0812487251484608,0.8946182371386739,0.7487510799821453,0.6333423512661202,0.5405224047485034,0.46410097729947064,0.40051176175825015,0.34721922152362084,0.71,1.2144799342920234,1.5596654341963614,1.8087512748515393,1.9953817628613262,2.141248920017855,2.25665764873388,2.349477595251497,2.4258990227005297,2.48948823824175,2.5427807784763794,second
+270,6.55,97,3.4251303424031066e+17,2.3,0.8329091229351039,91.8,Unknown,Enzyme,0,0.05864368621146821,0.03055910693596625,4.31,4.263085051030825,4.216170102061651,4.169255153092475,4.122340204123301,4.075425255154126,4.028510306184952,3.9815953572157774,3.934680408246603,3.887765459277428,3.8408505103082535,4.17,4.17,4.17,4.17,4.17,4.17,4.17,4.17,4.17,4.17,4.17,0.9,0.9469149489691746,0.9938298979383492,1.0407448469075238,1.0876597958766983,1.134574744845873,1.1814896938150476,1.2284046427842221,1.2753195917533966,1.3222345407225713,1.369149489691746,zero
+277,6.8,100,8.795314651132842e+16,4.7,1.547562508716013,88.7,Ring,Acid,0,0.012198306756318765,0.010676599227668018,6.03,5.0419546836236835,4.477749964087959,4.097829144887997,3.8224673074501774,3.6116755087262575,3.445841325691389,3.3101486870191743,3.1963749294791755,3.1000198933692946,3.0172010342761233,1.94,1.4459773418118416,1.1638749820439798,0.9739145724439986,0.8362336537250888,0.730837754363129,0.6479206628456946,0.5800743435095873,0.5231874647395878,0.47500994668464736,0.4336005171380616,1.44,1.9340226581881583,2.21612501795602,2.4060854275560013,2.543766346274911,2.649162245636871,2.732079337154305,2.7999256564904123,2.8568125352604117,2.9049900533153523,2.946399482861938,third
+280,10.95,93,2.968718139509213e+17,2.12,0.7514160886839212,81.6,Ring,None,0,1.326110714226407,0.9360560736088267,7.2,6.840243562679829,6.840000049963039,6.839999347564618,6.839999853607967,6.840000715898392,6.840000861741853,6.839999362605566,6.839999721987755,6.839999265337482,6.8400002842378,0.36,0.00024356267982827723,4.996303943197983e-08,-6.524353822275636e-07,-1.4639203262593436e-07,7.158983921051668e-07,8.617418522653951e-07,-6.373944346809775e-07,-2.780122442602266e-07,-7.346625169272989e-07,2.842378013479808e-07,1.87,2.229756437320172,2.229999950036961,2.2300006524353826,2.230000146392033,2.2299992841016087,2.2299991382581483,2.2300006373944354,2.2300002780122448,2.230000734662518,2.2299997157621996,second
+278,6.17,100,2.4046572764705232e+17,3.37,1.2149127443642704,142.0,Ring,Acid,1,0.0389884272075289,0.02974433633170939,3.47,3.255015410556469,3.0815589373602723,2.9396767676252913,2.822637484107644,2.726314013000781,2.646829076494489,2.580494923649199,2.5238564214454513,2.4755001749729137,2.4345217740845846,3.06,2.845015410556469,2.671558937360272,2.529676767625291,2.412637484107644,2.3163140130007807,2.2368290764944887,2.170494923649199,2.113856421445451,2.0655001749729136,2.0245217740845844,3.84,4.0549845894435315,4.228441062639728,4.370323232374709,4.487362515892356,4.583685986999219,4.663170923505511,4.729505076350801,4.786143578554549,4.834499825027087,4.8754782259154155,second
+273,12.47,97,1.4356451257094202e+17,0.75,-0.2876820724517809,99.8,Branched,None,1,0.039519919239504694,0.022288133225430433,6.69,2.2634172566553072,1.7544640257548612,1.5555279186448567,1.4581526011153387,1.4071799713180804,1.3775711846750853,1.3613697634242563,1.3517504911877178,1.3459243034901756,1.3426155512870008,3.75,3.75,3.75,3.75,3.75,3.75,3.75,3.75,3.75,3.75,3.75,2.46,3.9355275811148975,4.105178658081713,4.1714906937850476,4.203949132961554,4.22094000956064,4.2308096051083055,4.236210078858582,4.239416502937428,4.241358565503275,4.242461482904333,third
+272,6.12,93,4.987535612873679e+17,3.47,1.244154593958768,156.9,Unknown,None,0,0.6880231132841277,0.35729778383843425,9.68,7.8502648805095685,7.830273462655927,7.83000383739389,7.830000271432954,7.829999919812736,7.829999498950069,7.82999988285089,7.830001199994069,7.83000002715354,7.830000246822135,1.85,0.020264880509569993,0.0002734626559275852,3.837393890768791e-06,2.714329557067943e-07,-8.018726261819466e-08,-5.010499305134818e-07,-1.1714910862100131e-07,1.1999940696986602e-06,2.7153540248593534e-08,2.4682213621553214e-07,3.61,5.439735119490431,5.459726537344072,5.459996162606109,5.459999728567045,5.460000080187263,5.46000050104993,5.460000117149109,5.4599988000059305,5.459999972846459,5.459999753177864,second
+270,9.59,94,2.6215002150310224e+17,4.64,1.534714366238164,64.8,Ring,None,0,0.17080473528218346,0.1412383942703647,1.87,0.953688155252548,0.7225733389084067,0.6051090420480391,0.5306551488184121,0.47862839052239703,0.43942419595339444,0.40817991002946385,0.3829650974500268,0.3620922653857173,0.3441905881574315,0.46,0.46,0.46,0.46,0.46,0.46,0.46,0.46,0.46,0.46,0.46,4.97,5.275437281582485,5.3524755536971975,5.39163031931732,5.416448283727196,5.433790536492534,5.446858601348869,5.457273363323512,5.465678300849992,5.472635911538094,5.478603137280857,third
+280,2.1,100,2.6629956033248147e+17,4.33,1.4655675420143985,136.6,Branched,Base,1,0.05881229174980207,0.05227278959366484,8.72,2.0389275887547393,1.690086845390317,1.5954574095581995,1.5647511382129615,1.5548280435115278,1.5506614971878478,1.5498397010362683,1.548882286838316,1.5491565696034117,1.5490748609336429,4.64,4.64,4.64,4.64,4.64,4.64,4.64,4.64,4.64,4.64,4.64,1.79,4.017024137081753,4.133304384869894,4.1648475301472665,4.175082953929012,4.178390652162824,4.179779500937384,4.18005343298791,4.180372571053894,4.180281143465529,4.180308379688785,third
+279,8.39,97,4.480256836848352e+17,0.77,-0.2613647641344075,30.7,Branched,Acid,0,0.3091837161028676,0.19400579355378605,1.35,0.8142027642096203,0.5811319288943106,0.4513776517152693,0.3696462158471031,0.3124394885602154,0.2707864355645362,0.23907529873980918,0.21377640991572186,0.19335050881506988,0.17648967552020398,2.72,2.72,2.72,2.72,2.72,2.72,2.72,2.72,2.72,2.72,2.72,2.78,3.0478986178951897,3.1644340355528446,3.229311174142365,3.2701768920764485,3.298780255719892,3.3196067822177318,3.3354623506300953,3.3481117950421386,3.3583247455924647,3.366755162239898,second
+271,2.09,93,2.930642291177079e+17,2.78,1.0224509277025455,166.2,Ring,Enzyme,0,0.34735593807246756,0.2669636363915987,2.37,2.0900115859084627,2.021237796224137,2.0001912436091667,1.993370041692421,1.9911195499463687,1.990372497690508,1.9901240770648136,1.9900417013733378,1.990014119372275,1.990004803766842,0.19,0.05000579295423117,0.01561889811206851,0.00509562180458309,0.0016850208462102615,0.0005597749731841941,0.00018624884525369833,6.203853240665161e-05,2.085068666869004e-05,7.059686137220003e-06,2.4018834208561346e-06,2.01,2.149994207045769,2.1843811018879316,2.194904378195417,2.19831497915379,2.199440225026816,2.199813751154746,2.1999379614675934,2.199979149313332,2.199992940313863,2.1999975981165796,third
+277,9.4,97,3.492436022818929e+16,4.18,1.430311246536665,185.4,Ring,Acid,0,0.017820307086007733,0.011545792712188986,3.61,3.273094790737858,2.9937152528428363,2.7574904680377674,2.555865045152226,2.3828823250650197,2.2330788422663375,2.101484324857749,1.983626894786912,1.8774420521509712,1.7820483234542417,4.25,4.25,4.25,4.25,4.25,4.25,4.25,4.25,4.25,4.25,4.25,0.89,1.0584526046310712,1.1981423735785817,1.3162547659811161,1.417067477423887,1.50355883746749,1.578460578866831,1.6442578375711254,1.703186552606544,1.7562789739245144,1.803975838272879,second
+276,9.83,98,3.537680976067596e+17,1.26,0.23111172096338664,63.1,Unknown,Base,0,0.10022278764733225,0.06656463508985092,3.6,3.3226263783714765,3.0666242889650013,2.8303317693197902,2.612197987713331,2.4108763683388155,2.225104057433868,2.0536899342209693,1.8955146109074577,1.749530432685528,1.6147614777322323,4.31,4.31,4.31,4.31,4.31,4.31,4.31,4.31,4.31,4.31,4.31,1.8,1.8,1.8,1.8,1.8,1.8,1.8,1.8,1.8,1.8,1.8,first
+278,1.81,90,4.485239034106428e+16,1.83,0.6043159668533296,170.9,Branched,Base,1,0.5504018297077394,0.4643201696116327,4.64,2.339212373488459,2.1327891741182348,2.10582255693132,2.1019736358307686,2.1011549042272195,2.101063986808706,2.1011931737081064,2.101068247048669,2.101745950970881,2.1015614276657977,4.08,1.77921237348846,1.5727891741182358,1.545822556931321,1.5419736358307692,1.5411549042272203,1.541063986808707,1.541193173708107,1.5410682470486692,1.541745950970881,1.5415614276657983,1.3,3.6007876265115404,3.8072108258817647,3.8341774430686795,3.838026364169231,3.83884509577278,3.8389360131912933,3.838806826291893,3.8389317529513307,3.8382540490291186,3.838438572334202,second
+274,1.04,98,2.5782186175656528e+17,4.6,1.5260563034950492,88.2,Linear,Base,0,0.053478904192308566,0.0448366855706335,4.26,3.1216417204115623,2.4701792903747446,2.03963628065038,1.738069573299214,1.5124989285865067,1.3402998553445606,1.203657289786547,1.09123484842332,0.9980844964237143,0.9195844260356938,1.91,1.91,1.91,1.91,1.91,1.91,1.91,1.91,1.91,1.91,1.91,2.9,3.469179139794219,3.7949103548126275,4.01018185967481,4.160965213350393,4.273750535706746,4.35985007232772,4.428171355106727,4.48438257578834,4.530957751788143,4.570207786982153,second
+278,12.41,91,4.0133024415977126e+17,1.82,0.598836501088704,90.4,Unknown,Base,0,3.1951775087222316,2.333257677237373,5.22,2.6638579930222144,0.10771598604442989,-2.448426020933357,-5.004568027911142,-7.5607100348889285,-10.116852041866718,-12.672994048844501,-15.229136055822295,-17.785278062800074,-20.341420069777868,1.6,1.6,1.6,1.6,1.6,1.6,1.6,1.6,1.6,1.6,1.6,4.19,6.746142006977786,9.302284013955571,11.858426020933358,14.414568027911143,16.97071003488893,19.526852041866718,22.082994048844505,24.639136055822295,27.195278062800075,29.75142006977787,zero
+278,2.56,92,2.91969560775446e+17,4.44,1.4906543764441336,157.6,Unknown,Enzyme,1,1.5080977881596862,0.7665877028909571,1.46,1.4619099604005932,1.4605875980718521,1.4595835820099459,1.4620690374593353,1.460945998940098,1.4600913145881176,1.462208029781881,1.4607944250631077,1.4596029704822628,1.460326102860804,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,4.2,4.199045019799703,4.199706200964074,4.2002082089950274,4.198965481270332,4.199527000529951,4.199954342705941,4.198895985109059,4.199602787468446,4.200198514758868,4.1998369485695966,second
+275,10.45,90,1.68865619571949e+17,3.63,1.2892326482767593,34.0,Linear,Acid,0,1.3550356581988356,1.2049618420033985,9.69,0.39249555304384515,0.27771764938499566,0.22670947386757262,0.19648996034191354,0.17562658604231363,0.1604398794980599,0.1485251962229051,0.13888980302918794,0.13094376106011785,0.12421779949667114,4.07,4.07,4.07,4.07,4.07,4.07,4.07,4.07,4.07,4.07,4.07,1.89,4.989168148985383,5.027427450205,5.0444301753774745,5.0545033465526945,5.061457804652561,5.066520040167312,5.070491601259031,5.073703398990269,5.076352079646626,5.078594066834442,third
+276,9.2,94,2.6000717471829456e+17,1.83,0.6043159668533296,48.9,Branched,None,0,0.42100209209744044,0.30417917242963516,9.06,6.565518027186459,6.357092634318235,6.333206686312211,6.330380934514897,6.330045201269722,6.330005543731216,6.330000845441838,6.3300001109969095,6.329999764181465,6.330000333252932,2.73,0.2355180271864587,0.027092634318233777,0.0032066863122101044,0.0003809345148965009,4.520126972071022e-05,5.5437312154655905e-06,8.454418374875501e-07,1.1099690853150882e-07,-2.3581853594810932e-07,3.3325293099757864e-07,1.33,3.8244819728135413,4.0329073656817656,4.056793313687789,4.059619065485103,4.059954798730279,4.059994456268784,4.059999154558162,4.059999889003091,4.060000235818536,4.059999666747069,second
+279,5.81,99,8.50932182979362e+16,2.39,0.8712933659434193,156.0,Linear,Enzyme,0,0.024794380586543735,0.02203801185005018,4.85,2.7198095842606262,1.9800650125115067,1.583635896806841,1.3308059649706987,1.1526075575570414,1.019477056608666,0.9168063620229432,0.83362660134169,0.7649709059371379,0.7073903512021693,4.74,3.6749047921303135,3.3050325062557535,3.1068179484034206,2.9804029824853493,2.8913037787785205,2.8247385283043327,2.7734031810114717,2.7318133006708445,2.697485452968569,2.6686951756010844,0.88,1.9450952078696866,2.3149674937442466,2.5131820515965795,2.639597017514651,2.7286962212214796,2.7952614716956674,2.8465968189885285,2.8881866993291556,2.9225145470314313,2.9513048243989157,third
+271,9.65,96,2.0803209513736522e+17,4.35,1.4701758451005926,24.4,Linear,None,0,0.0651145624054666,0.056930402434871005,5.61,5.325246830158407,5.054947260672557,4.798364220705119,4.554797337886941,4.3235954612245875,4.104135805469258,3.895822679764775,3.6980874876475855,3.510388727046762,3.332211990284002,4.67,4.67,4.67,4.67,4.67,4.67,4.67,4.67,4.67,4.67,4.67,3.57,3.8547531698415938,4.125052739327444,4.381635779294881,4.625202662113059,4.856404538775413,5.075864194530743,5.284177320235226,5.481912512352415,5.669611272953238,5.847788009715998,first
+279,5.64,92,1.3791051855656666e+17,4.24,1.4445632692438664,45.5,Linear,Enzyme,0,0.821579438859624,0.48470228519279795,8.45,4.3760599654282535,2.2701970348182554,1.178430568560143,0.6103342899523498,0.316656386484311,0.16439149182025076,0.08514377339512809,0.04416800747202965,0.0229321767608305,0.011885709591484632,3.62,3.62,3.62,3.62,3.62,3.62,3.62,3.62,3.62,3.62,3.62,0.64,0.64,0.64,0.64,0.64,0.64,0.64,0.64,0.64,0.64,0.64,first
+276,12.68,100,4.7506543066695136e+17,1.09,0.08617769624105241,190.9,Linear,Base,1,0.05629575996520443,0.03299410210406609,4.44,4.296942402558581,4.163747366121337,4.039729868738215,3.9242474046413522,3.816728484365603,3.7166341045819005,3.623454197130728,3.53670762902212,3.455942202435665,3.3807346547205,2.04,2.04,2.04,2.04,2.04,2.04,2.04,2.04,2.04,2.04,2.04,1.96,2.1030575974414196,2.236252633878664,2.3602701312617866,2.475752595358649,2.583271515634398,2.6833658954181008,2.7765458028692733,2.8632923709778813,2.9440577975643363,3.0192653452795013,first
+275,8.91,99,1.861434914287391e+17,1.62,0.4824261492442928,138.2,Ring,None,1,0.029154009458919185,0.025758018275777665,3.54,2.2352998952979224,1.8415671195194094,1.658215240272411,1.5580042861399774,1.4987049243577015,1.46259038874478,1.4405103104221122,1.4257402436482627,1.4165810788700677,1.4108405013912642,0.61,0.61,0.61,0.61,0.61,0.61,0.61,0.61,0.61,0.61,0.61,2.39,2.824900034900693,2.9561442934935305,3.0172615865758634,3.0506652379533414,3.0704316918807666,3.0824698704184073,3.089829896525963,3.094753252117246,3.097806307043311,3.099719832869579,third
+280,10.45,95,2.2871295008830646e+17,4.97,1.6034198401085373,198.8,Linear,Enzyme,0,0.43269664380568706,0.3097186668234867,9.91,7.556901852463931,7.4211392876384705,7.410857505104689,7.410066418914867,7.4100052311435665,7.410000565286727,7.410000253122745,7.409999983278368,7.409998851916079,7.410001506149907,2.5,0.14690185246392978,0.011139287638468819,0.0008575051046862935,6.64189148640411e-05,5.231143564165858e-06,5.652867244816427e-07,2.5312274270888396e-07,-1.672163365541128e-08,-1.1480839227548887e-06,1.5061499055040498e-06,0.41,2.7630981475360703,2.898860712361531,2.9091424948953137,2.9099335810851357,2.9099947688564356,2.9099994347132756,2.9099997468772574,2.9100000167216336,2.9100011480839223,2.909998493850094,second
+280,6.91,95,1.9080396946173536e+17,1.7,0.5306282510621704,75.9,Ring,Enzyme,1,0.36097753616058487,0.24567709836080176,2.37,1.5362425902590604,1.4974832033911025,1.4950585871250037,1.494653861458192,1.4932178435234207,1.496930906020389,1.4956127937866979,1.4948759578106836,1.494158700787766,1.4951020471557093,1.5,1.0831212951295301,1.0637416016955512,1.062529293562502,1.062326930729096,1.0616089217617102,1.0634654530101944,1.0628063968933488,1.0624379789053418,1.062079350393883,1.0625510235778546,3.05,3.466878704870469,3.4862583983044484,3.487470706437498,3.4876730692709037,3.488391078238289,3.4865345469898052,3.487193603106651,3.487562021094658,3.487920649606117,3.487448976422145,third
+278,13.77,97,1.723509390504435e+17,4.33,1.4655675420143985,51.4,Ring,Base,1,0.10232923016659934,0.07567334136153407,2.32,1.972794224309354,1.7498369351500336,1.6001862222021161,1.4987139774052034,1.4272390058248055,1.376648519999928,1.3411814224365277,1.3155567532926622,1.2969781399000062,1.2836062390738778,2.98,2.632794224309354,2.4098369351500337,2.2601862222021163,2.1587139774052035,2.0872390058248054,2.036648519999928,2.0011814224365274,1.9755567532926621,1.9569781399000061,1.9436062390738778,2.15,2.497205775690646,2.720163064849966,2.8698137777978836,2.9712860225947963,3.0427609941751945,3.093351480000072,3.1288185775634725,3.1544432467073373,3.1730218600999938,3.186393760926122,second
+274,8.36,97,3.7823161978360845e+17,4.78,1.5644405465033646,162.3,Linear,None,0,0.12169279047087815,0.08759692365121752,7.45,6.758896545428168,6.131905589377979,5.562959961262319,5.0465171497379115,4.578025443170754,4.1532271863160295,3.768115828018849,3.418935921214246,3.102183122927182,2.8146041942725426,0.48,0.48,0.48,0.48,0.48,0.48,0.48,0.48,0.48,0.48,0.48,0.09,0.09,0.09,0.09,0.09,0.09,0.09,0.09,0.09,0.09,0.09,first
+278,2.36,99,1.17393472031641e+17,1.19,0.17395330712343798,189.4,Ring,Acid,1,0.02933780725441175,0.01983970293673856,9.09,8.784643933488324,8.549246434805525,8.365151991309128,8.220691675065678,8.10722579926895,8.016973235342974,7.943926289666605,7.885294376965909,7.838242384458884,7.800295148239868,1.9,1.5946439334883247,1.3592464348055264,1.17515199130913,1.0306916750656803,0.9172257992689502,0.826973235342976,0.7539262896666058,0.6952943769659101,0.6482423844588853,0.6102951482398684,3.6,3.9053560665116756,4.140753565194474,4.32484800869087,4.469308324934319,4.58277420073105,4.673026764657024,4.746073710333395,4.80470562303409,4.851757615541115,4.889704851760132,second
+279,12.66,99,1.3483629418844587e+17,4.47,1.4973884086254774,115.3,Unknown,Base,0,0.039288470478129583,0.03523785515805906,5.83,2.5676931067188633,1.7887345254029121,1.4049170271624174,1.170539670535056,1.0079786256771288,0.8893449601575141,0.7978601601555343,0.7242563210756034,0.6641222608979651,0.6138529499393375,4.56,2.9288465533594317,2.539367262701456,2.3474585135812087,2.230269835267528,2.148989312838564,2.089672480078757,2.0439300800777667,2.0071281605378015,1.9770611304489822,1.9519264749696683,0.76,2.391153446640568,2.7806327372985438,2.972541486418791,3.089730164732472,3.1710106871614356,3.230327519921243,3.276069919922233,3.3128718394621983,3.3429388695510176,3.3680735250303315,third
+278,9.87,94,4.570233113972739e+17,3.36,1.2119409739751128,143.0,Branched,Enzyme,1,0.993637399955964,0.7825422148818449,9.86,2.448198678539395,2.448019327419288,2.4473775002008265,2.448166924246718,2.4466479030598958,2.4491189570975442,2.4462210447555437,2.4500190457975592,2.4460283787080197,2.44916474668834,4.17,4.17,4.17,4.17,4.17,4.17,4.17,4.17,4.17,4.17,4.17,3.9,7.6059006607303,7.605990336290354,7.606311249899584,7.605916537876639,7.606676048470049,7.605440521451225,7.606889477622225,7.604990477101218,7.606985810645988,7.605417626655829,second
+277,5.7,94,2.2513389759800378e+17,1.85,0.6151856390902335,139.3,Unknown,Base,0,0.42263569073279805,0.3616277110824929,2.46,2.121891447413762,1.7837828948275234,1.4456743422412848,1.1075657896550464,0.769457237068808,0.43134868448256936,0.09324013189633118,-0.24486842068990722,-0.5829769732761454,-0.9210855258623831,4.92,4.92,4.92,4.92,4.92,4.92,4.92,4.92,4.92,4.92,4.92,1.39,1.7281085525862383,2.066217105172477,2.404325657758715,2.7424342103449537,3.0805427629311923,3.4186513155174305,3.7567598681036687,4.094868420689908,4.432976973276146,4.771085525862383,zero
+270,12.87,99,4.221886870619811e+17,4.13,1.4182774069729414,158.1,Unknown,Acid,0,0.029656064400319544,0.02276488467107632,5.31,5.205648344534608,5.115134951504311,5.036155652769638,4.966966273507914,4.906389505944248,4.853323032772696,4.806732997539102,4.765654004641095,4.729189119328095,4.696555403265851,0.89,0.7856483445346085,0.6951349515043117,0.6161556527696386,0.5469662735079142,0.48638950594424835,0.4333230327726966,0.38673299753910234,0.3456540046410958,0.3091891193280955,0.2765554032658516,1.55,1.6543516554653914,1.7448650484956882,1.8238443472303616,1.893033726492086,1.953610494055752,2.0066769672273037,2.0532670024608977,2.0943459953589043,2.1308108806719046,2.1634445967341485,second
+270,2.04,93,4.850547570337313e+17,0.9,-0.10536051565782628,191.3,Ring,None,1,0.49341164384757064,0.3188484464645501,3.4,1.0299102444472705,1.016766383672936,1.0158501950715957,1.0156633420719339,1.0153237408935796,1.0158479483484617,1.0171459941693237,1.0170570806455432,1.0161452418514527,1.0167057899952063,1.71,1.71,1.71,1.71,1.71,1.71,1.71,1.71,1.71,1.71,1.71,0.83,1.6200299185175764,1.6244112054423547,1.6247166016428014,1.624778885976022,1.6248920863688068,1.6247173505505128,1.6242846686102255,1.6243143064514856,1.6246182527161825,1.6244314033349314,third
+274,10.46,92,2.2281856878496592e+17,2.32,0.8415671856782185,69.8,Branched,Enzyme,0,0.6436943324181905,0.5213857658066655,4.4,0.797678786757443,0.43882528700830303,0.30267579641028425,0.23090735228032871,0.18662377962610785,0.15666479978491926,0.13501903578799668,0.11850484817515278,0.10569207979521597,0.09539147337028747,4.87,4.87,4.87,4.87,4.87,4.87,4.87,4.87,4.87,4.87,4.87,3.53,5.331160606621278,5.510587356495849,5.578662101794857,5.614546323859836,5.636688110186946,5.65166760010754,5.662490482106001,5.670747575912423,5.677153960102391,5.6823042633148555,second
+280,7.62,96,3.85355974622789e+17,1.77,0.5709795465857378,107.3,Unknown,Base,0,0.4744558918930325,0.3037927860847035,9.62,1.1619796801638387,0.6180467990744197,0.42114167155787474,0.31965084241021413,0.25726235301301004,0.2155136891109912,0.18515086102758788,0.1625148460028283,0.14477278148773057,0.13043761965242784,3.01,3.01,3.01,3.01,3.01,3.01,3.01,3.01,3.01,3.01,3.01,0.0,4.22901015991808,4.5009766004627885,4.599429164221061,4.650174578794892,4.681368823493494,4.702243155444503,4.717424569486204,4.7287425769985845,4.737613609256133,4.744781190173785,second
+278,2.22,100,1.6155853788805357e+17,2.59,0.9516578757114463,193.0,Linear,None,0,0.026194640524609455,0.01683857962182475,6.62,2.6003027124959432,1.912991459089494,1.5848651486211782,1.3813281926372787,1.2418623302461833,1.136496763584418,1.05408649148304,0.9880643317240638,0.9329986360388823,0.8857826039856156,3.01,3.01,3.01,3.01,3.01,3.01,3.01,3.01,3.01,3.01,3.01,2.59,3.9298990958346858,4.159002846970169,4.2683782837929405,4.336223935787574,4.382712556584607,4.417834412138529,4.4453045028389875,4.467311889425313,4.485667121320374,4.501405798671462,third
+273,10.99,96,2.2426096038603546e+17,0.95,-0.05129329438755058,181.7,Ring,Base,1,0.09591029205938605,0.05301075506426976,2.55,1.8798974819397705,1.5255371447087926,1.3135763877619504,1.1772759094790455,1.0873890920711085,1.0252435309305734,0.9815583945868055,0.9511181237500194,0.9291065934899959,0.913082782002468,4.87,4.87,4.87,4.87,4.87,4.87,4.87,4.87,4.87,4.87,4.87,0.53,0.8650512590301147,1.0422314276456037,1.1482118061190247,1.2163620452604773,1.2613054539644457,1.2923782345347132,1.3142208027065974,1.3294409381249903,1.340446703255002,1.348458608998766,second
+277,10.34,99,4.4393503840407334e+17,1.39,0.3293037471426003,22.9,Linear,Acid,1,0.0950489036560684,0.05656915843704775,4.51,2.868891888185501,2.233594624265522,1.9293844776619467,1.7694685080693844,1.6802220450424112,1.6290810904383317,1.5989103576821315,1.581956637727012,1.571323109466583,1.565056323705913,4.94,4.94,4.94,4.94,4.94,4.94,4.94,4.94,4.94,4.94,4.94,2.59,3.4105540559072494,3.7282026878672383,3.880307761169026,3.9602657459653074,4.004888977478794,4.030459454780834,4.045544821158934,4.0540216811364935,4.059338445266708,4.062471838147044,second
+275,11.47,97,2.2365655967935296e+17,2.4,0.8754687373538999,116.3,Ring,Acid,0,0.08401060000041592,0.06777739562215081,1.39,1.2996503144523983,1.2151734001705532,1.136185320531343,1.062324288282353,0.993265111975218,0.9287005461381033,0.8683392773327632,0.811905924154542,0.7591410372323735,0.7098010992287813,0.77,0.77,0.77,0.77,0.77,0.77,0.77,0.77,0.77,0.77,0.77,2.46,2.5503496855476016,2.6348265998294464,2.713814679468657,2.7876757117176467,2.8567348880247816,2.921299453861897,2.981660722667237,3.038094075845458,3.0908589627676264,3.1401989007712183,first
+275,5.44,99,2.1467995138318806e+17,1.94,0.6626879730752367,35.0,Branched,Enzyme,1,0.033623422904699364,0.02856119374502845,6.17,6.0990382241204335,6.031520283232694,5.967279051324286,5.906154806084148,5.847996295354978,5.792660866357029,5.740011887961575,5.689918711503967,5.64225667078364,5.596907082064107,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,4.08,4.1509617758795665,4.218479716767306,4.282720948675714,4.343845193915852,4.402003704645022,4.457339133642971,4.509988112038425,4.560081288496033,4.60774332921636,4.653092917935893,first
+280,4.1,98,1.5430618158434694e+17,4.89,1.5871923034867805,32.5,Branched,Base,0,0.0804635195238743,0.06211996165207507,1.55,1.036289347550218,0.7918349918921189,0.6448731025665925,0.5460984584695106,0.4753727565209698,0.42089706167998,0.3782945439784525,0.3440736056177367,0.3155258247395764,0.29141754007184223,2.66,2.403144673775109,2.28091749594606,2.2074365512832967,2.1580492292347557,2.1226863782604855,2.0954485308399904,2.0741472719892267,2.0570368028088684,2.0427629123697884,2.030708770035921,2.62,2.876855326224891,2.9990825040539404,3.0725634487167035,3.1219507707652445,3.157313621739515,3.18455146916001,3.2058527280107736,3.222963197191132,3.237237087630212,3.2492912299640793,third
+276,9.1,90,3.3364922995675866e+17,1.3,0.26236426446749106,52.6,Unknown,Enzyme,0,3.0877359793723507,2.6155194734397598,4.05,0.3431672088643265,0.02910085002003507,0.0024664676980587002,0.0002091311152544964,1.769410067769858e-05,1.6806545141228403e-06,2.2482747029035394e-07,2.746359796413246e-07,-7.001974848354079e-07,6.31402872561699e-07,3.29,3.29,3.29,3.29,3.29,3.29,3.29,3.29,3.29,3.29,3.29,0.06,0.06,0.06,0.06,0.06,0.06,0.06,0.06,0.06,0.06,0.06,first
+273,8.8,92,4.559597878924711e+17,3.27,1.184789984909162,141.4,Ring,Enzyme,0,1.1360787365836997,0.6483095916316521,1.43,0.14310405355123915,0.07662163805556252,0.05241705997091018,0.039856664943079385,0.03219307427883133,0.02696575411329663,0.023220912242061284,0.02040058186342266,0.018173436011672112,0.016385591605095687,4.01,3.36655202677562,3.333310819027781,3.321208529985455,3.3149283324715397,3.3110965371394157,3.3084828770566483,3.3066104561210303,3.3052002909317113,3.304086718005836,3.303192795802548,1.38,2.02344797322438,2.056689180972219,2.068791470014545,2.0750716675284604,2.0789034628605845,2.081517122943352,2.08338954387897,2.084799709068289,2.085913281994164,2.086807204197452,third
+280,13.26,97,2.8024027387269952e+17,1.95,0.6678293725756554,164.9,Linear,Enzyme,0,0.22454597395316317,0.12074050856302941,6.65,0.9554318935689353,0.6791245023163294,0.5552222032205518,0.4815790288283299,0.43064100912387643,0.39351869099194015,0.3643810959033773,0.3407979472860227,0.3213381235843629,0.30486147886030784,0.14,0.14,0.14,0.14,0.14,0.14,0.14,0.14,0.14,0.14,0.14,4.22,6.118189368810355,6.210291832561224,6.251592598926483,6.276140323723891,6.293119663625375,6.305493769669354,6.315206301365542,6.32306735090466,6.329553958805214,6.3350461737132315,third
+276,6.95,95,1.3795799986247918e+17,0.79,-0.23572233352106983,37.0,Linear,Base,0,0.14447178332321592,0.10671225871282496,5.39,5.274422573341426,5.158845146682854,5.043267720024281,4.927690293365709,4.812112866707135,4.696535440048563,4.58095801338999,4.465380586731417,4.349803160072844,4.234225733414272,4.47,4.47,4.47,4.47,4.47,4.47,4.47,4.47,4.47,4.47,4.47,3.17,3.2855774266585724,3.4011548533171454,3.516732279975718,3.632309706634291,3.7478871332928634,3.8634645599514363,3.9790419866100093,4.094619413268582,4.210196839927155,4.325774266585728,zero
+273,1.13,93,9.523708747002528e+16,3.59,1.2781522025001875,102.1,Linear,Base,0,0.1527374043032633,0.106163752845043,5.84,1.1473752590173811,0.8191709746705379,0.6710008535569763,0.5825207843465169,0.521139279095724,0.4761907312182725,0.4412617655003085,0.4127681896642066,0.38919788577610703,0.3692494666652294,0.24,0.24,0.24,0.24,0.24,0.24,0.24,0.24,0.24,0.24,0.24,1.34,2.9042082469942065,3.0136096751098207,3.0629997154810082,3.092493071884495,3.1129535736347593,3.127936422927243,3.1395794114998976,3.1490772701119316,3.1569340380746316,3.163583511111591,third
+275,2.42,91,4.3948134072836666e+17,2.82,1.0367368849500223,193.5,Ring,Acid,1,2.277188181684166,1.753853185726327,3.32,1.7525734054757733,1.7521103010933308,1.7503774641257586,1.7519429343805775,1.7527993549749,1.7513758587769808,1.7507876369337017,1.7523942752056663,1.752883339635997,1.7520959961120612,0.88,0.88,0.88,0.88,0.88,0.88,0.88,0.88,0.88,0.88,0.88,3.2,3.983713297262114,3.983944849453335,3.984811267937121,3.984028532809712,3.9836003225125505,3.98431207061151,3.9846061815331493,3.9838028623971673,3.9835583301820017,3.9839520019439694,second
+278,7.43,92,1.9033374240988115e+17,4.7,1.547562508716013,197.4,Ring,None,1,0.9831226761383572,0.8247578422692615,3.13,2.168253106699427,2.1520526591520563,2.1509882884695912,2.1507178657679926,2.150731779117268,2.15220332708848,2.1534266130993793,2.151691263572122,2.1504844119481503,2.1520403388068763,2.97,2.0082531066994274,1.9920526591520564,1.9909882884695913,1.990717865767993,1.990731779117268,1.9922033270884805,1.9934266130993803,1.9916912635721227,1.990484411948151,1.9920403388068768,4.13,5.091746893300573,5.107947340847943,5.109011711530409,5.109282134232006,5.109268220882732,5.107796672911519,5.106573386900619,5.108308736427877,5.109515588051849,5.107959661193123,second
+277,9.47,90,7.603339963298712e+16,2.19,0.7839015438284094,68.0,Unknown,None,1,0.810676832521504,0.501250782128636,9.54,2.2027282694624204,2.1966797662967674,2.19604535923963,2.195474733656786,2.200333924947432,2.1977704259475535,2.196619007975439,2.195936817896407,2.19405054468964,2.1989169314103107,1.57,1.57,1.57,1.57,1.57,1.57,1.57,1.57,1.57,1.57,1.57,4.13,7.798635865268788,7.801660116851615,7.801977320380184,7.802262633171606,7.799833037526282,7.801114787026222,7.801690496012279,7.802031591051795,7.802974727655179,7.800541534294842,second
+276,5.37,98,1.5796403135148394e+17,1.31,0.2700271372130602,135.3,Ring,Enzyme,0,0.044751337605502074,0.03566265448013899,9.21,5.562973351255336,3.981203562869224,3.097842892270409,2.5388551137749222,2.1478185810816695,1.8640215590659963,1.6448059688572128,1.471386972169694,1.3318938051023865,1.2165247311344216,3.03,3.03,3.03,3.03,3.03,3.03,3.03,3.03,3.03,3.03,3.03,2.1,3.923513324372332,4.714398218565388,5.156078553864796,5.435572443112539,5.631090709459166,5.772989220467002,5.8825970155713945,5.9693065139151535,6.039053097448807,6.09673763443279,second
+280,4.62,99,7.37101379611507e+16,3.96,1.3762440252663892,178.0,Unknown,Acid,0,0.025014043518571498,0.016240205693710243,3.58,3.559988765185143,3.5399775303702854,3.5199662955554283,3.499955060740571,3.4799438259257136,3.4599325911108565,3.4399213562959994,3.4199101214811423,3.399898886666285,3.3798876518514276,0.13,0.13,0.13,0.13,0.13,0.13,0.13,0.13,0.13,0.13,0.13,4.93,4.950011234814857,4.970022469629714,4.9900337044445715,5.010044939259429,5.030056174074286,5.050067408889143,5.070078643704001,5.0900898785188575,5.110101113333715,5.130112348148572,zero
+272,8.15,93,2.277990015141278e+17,4.5,1.5040773967762742,110.9,Branched,Enzyme,0,0.3142453315425289,0.16611480706310897,8.44,6.563841474841743,5.104840820917165,3.967051292629172,3.0837135555729502,2.4011008287309252,1.870041802401728,1.4534611003089493,1.129982113908307,0.8797179940650877,0.684803786807973,3.22,3.22,3.22,3.22,3.22,3.22,3.22,3.22,3.22,3.22,3.22,1.39,1.39,1.39,1.39,1.39,1.39,1.39,1.39,1.39,1.39,1.39,first
+273,12.15,99,2.9001984270578534e+17,3.09,1.128171090909654,189.9,Unknown,Acid,0,0.03307588581430969,0.02547344949483336,5.04,4.191533122222398,3.792841730358011,3.5614578718034076,3.41333203851551,3.3118642585771845,3.2398561370819574,3.187567580173524,3.148451483243578,3.119109039363115,3.0968332294031495,1.01,0.5857665611111993,0.38642086517900565,0.2707289359017038,0.19666601925775515,0.14593212928859228,0.10992806854097863,0.0837837900867618,0.06422574162178897,0.0495545196815573,0.038416614701574696,2.6,3.024233438888801,3.223579134820995,3.3392710640982965,3.413333980742245,3.464067870711408,3.5000719314590216,3.5262162099132386,3.5457742583782115,3.5604454803184433,3.571583385298426,third
+273,9.98,92,3.736777304115433e+17,1.78,0.5766133643039938,36.5,Branched,Enzyme,1,0.9310630786492222,0.7091302868852062,2.21,1.3028515776250713,1.058422722483389,0.9926476393413384,0.9750268757187237,0.9703965902094613,0.9688645914719626,0.9686627806029194,0.9683886433006933,0.9686588323737333,0.9685104319333276,0.31,0.31,0.31,0.31,0.31,0.31,0.31,0.31,0.31,0.31,0.31,0.03,0.9371484223749283,1.1815772775166107,1.2473523606586614,1.264973124281276,1.2696034097905382,1.271135408528037,1.27133721939708,1.2716113566993061,1.2713411676262663,1.2714895680666718,first
+277,5.94,97,4.096647171706658e+17,4.27,1.451613827240533,126.3,Linear,None,1,0.20903320818433413,0.12685693371327084,7.66,3.032673716111228,2.9222918965218048,2.913037662438125,2.912208177896998,2.911892446813049,2.9128681297588344,2.9119315083674446,2.9115649132350265,2.9136277647815065,2.912515357123911,2.85,0.5363368580556135,0.48114594826090173,0.4765188312190617,0.4761040889484984,0.475946223406524,0.4764340648794166,0.4759657541837218,0.47578245661751273,0.47681388239075284,0.4762576785619548,4.28,6.593663141944386,6.6488540517390975,6.653481168780938,6.653895911051501,6.654053776593475,6.653565935120583,6.654034245816278,6.6542175433824875,6.653186117609247,6.6537423214380444,third
+278,8.51,91,3.150397562638089e+17,1.86,0.62057648772511,67.7,Branched,Base,1,2.508178633969886,1.595855196046146,7.51,4.062333501090962,3.932908474876082,3.9277056965914983,3.9273462169026137,3.9327346454431313,3.930289234318701,3.928683275874001,3.929807322103321,3.9306213206243275,3.9287560704893303,2.1,2.1,2.1,2.1,2.1,2.1,2.1,2.1,2.1,2.1,2.1,2.59,6.037666498909037,6.167091525123918,6.172294303408501,6.1726537830973855,6.167265354556868,6.169710765681298,6.171316724125998,6.1701926778966785,6.169378679375671,6.171243929510668,first
+280,13.93,93,7.98829140784108e+16,2.09,0.7371640659767196,106.8,Linear,Enzyme,0,0.35683275833158395,0.18866303202761736,2.99,2.704533793334733,2.419067586669466,2.1336013800041984,1.8481351733389313,1.5626689666736644,1.2772027600083966,0.9917365533431293,0.7062703466778621,0.4208041400125939,0.13533793334732636,2.53,2.53,2.53,2.53,2.53,2.53,2.53,2.53,2.53,2.53,2.53,1.37,1.6554662066652674,1.9409324133305343,2.226398619995802,2.511864826661069,2.797331033326336,3.0827972399916037,3.3682634466568713,3.653729653322138,3.9391958599874064,4.224662066652674,zero
+274,1.21,98,4.4778898090733606e+17,0.74,-0.3011050927839216,32.0,Branched,Enzyme,0,0.0928829845737669,0.05689949932229098,2.2,2.125693612340987,2.051387224681973,1.9770808370229596,1.902774449363946,1.8284680617049325,1.754161674045919,1.6798552863869052,1.6055488987278916,1.5312425110688779,1.4569361234098641,2.57,2.57,2.57,2.57,2.57,2.57,2.57,2.57,2.57,2.57,2.57,2.11,2.184306387659013,2.258612775318027,2.3329191629770403,2.407225550636054,2.4815319382950674,2.555838325954081,2.630144713613095,2.7044511012721086,2.778757488931122,2.853063876590136,zero
+275,2.61,91,3.7734742684621715e+17,3.88,1.355835153635182,59.5,Ring,Base,1,1.9552390992960138,1.6641615088249329,4.52,1.3373129523765346,1.3363708881595564,1.3376026739758606,1.3380123421860695,1.3381906693767487,1.3393848034496028,1.3384338371784963,1.3382268740743655,1.337909021541449,1.3376788615319313,0.66,0.66,0.66,0.66,0.66,0.66,0.66,0.66,0.66,0.66,0.66,0.51,2.1013435238117317,2.101814555920221,2.101198663012069,2.1009938289069647,2.1009046653116252,2.100307598275198,2.1007830814107513,2.100886562962817,2.1010454892292754,2.101160569234034,second
+273,5.14,94,3.788229572235434e+17,2.91,1.0681530811834012,198.2,Branched,None,1,0.3910506410438635,0.3001287693918614,9.3,7.116729420188135,5.86044691565009,5.1379950659733975,4.723256901069024,4.483410052134748,4.346565574863818,4.267301035886264,4.221321621433379,4.196229425773195,4.1808059476145205,3.4,3.4,3.4,3.4,3.4,3.4,3.4,3.4,3.4,3.4,3.4,0.28,2.4632705798118657,3.7195530843499114,4.4420049340266035,4.856743098930977,5.096589947865254,5.233434425136184,5.312698964113737,5.358678378566623,5.383770574226807,5.399194052385481,first
+277,3.95,94,8.306704221188144e+16,4.02,1.3912819026309295,147.3,Ring,Base,0,0.1559387419527369,0.09120361956395674,4.9,4.325309732136745,3.818024992437352,3.369829263137979,2.973515592088516,2.6238228799852665,2.315774289355029,2.0446294709454307,1.8058845637249261,1.5952721948827957,1.40876147982915,2.97,2.97,2.97,2.97,2.97,2.97,2.97,2.97,2.97,2.97,2.97,3.51,3.51,3.51,3.51,3.51,3.51,3.51,3.51,3.51,3.51,3.51,first
+279,9.89,95,1.7451592691247117e+17,2.11,0.7466879474879751,36.4,Linear,None,0,0.2852358816748157,0.21039118351870748,8.94,7.1159903089321475,5.663826972858087,4.5057435103427474,3.5860495332888527,2.8568906266066687,2.275379299925164,1.810107377884016,1.4404339004456614,1.1474815830309013,0.914187666329935,0.34,0.34,0.34,0.34,0.34,0.34,0.34,0.34,0.34,0.34,0.34,4.66,6.484009691067852,7.936173027141913,9.094256489657251,10.013950466711147,10.743109373393331,11.324620700074837,11.789892622115984,12.159566099554338,12.452518416969099,12.685812333670066,first
+272,1.85,98,7.275406829307707e+16,1.37,0.3148107398400336,171.4,Branched,Base,0,0.010998767808845887,0.007027828771722514,3.33,3.1456583107628306,2.9806589569035675,2.8320774664137494,2.6974888717244765,2.5751557256134356,2.4635689328952535,2.361378441773625,2.2673932438413136,2.180581374080151,2.1000699108610363,1.7,1.7,1.7,1.7,1.7,1.7,1.7,1.7,1.7,1.7,1.7,4.82,4.9121708446185846,4.994670521548216,5.068961266793126,5.136255564137762,5.197422137193282,5.253215533552374,5.304310779113188,5.3513033780793435,5.394709312959924,5.434965044569482,second
+278,13.2,93,1.2259896209341309e+17,4.7,1.547562508716013,176.9,Branched,Base,1,0.4108445641842901,0.295972209703559,5.96,1.4197255610100534,1.4166453305212279,1.418924382303672,1.4189335289375686,1.4177095636340415,1.4169045600126884,1.4164428370547448,1.4174021545196867,1.4181900256731843,1.4187799444651006,0.04,0.04,0.04,0.04,0.04,0.04,0.04,0.04,0.04,0.04,0.04,2.44,3.9534248129966487,3.954451556492924,3.9536918725654426,3.953688823687477,3.954096812121986,3.954365146662437,3.9545190543150848,3.954199281826771,3.9539366581089377,3.9537400185116325,third
+277,6.69,97,4.227334742943959e+17,3.73,1.3164082336557241,158.9,Unknown,None,0,0.2157015984900023,0.18294271313015384,2.96,2.490855160520432,2.0960764554991798,1.7632410442420763,1.4827464344264865,1.2473599145588539,1.0502423654349666,0.8849397483320265,0.745383105008649,0.6272434060841233,0.5278312475802909,0.4,0.4,0.4,0.4,0.4,0.4,0.4,0.4,0.4,0.4,0.4,0.07,0.07,0.07,0.07,0.07,0.07,0.07,0.07,0.07,0.07,0.07,first
+278,5.46,90,2.2363350534971533e+17,3.22,1.169381359556317,112.1,Ring,Acid,0,2.7442972290318774,2.3958130061993748,7.38,0.22182973288244068,0.11252984189287074,0.07539969235462422,0.056731821360016796,0.04544461516494829,0.03791668152895435,0.032503825299267625,0.028485305606966257,0.02532504919318522,0.022790838725729172,2.88,2.88,2.88,2.88,2.88,2.88,2.88,2.88,2.88,2.88,2.88,4.61,8.18908513355878,8.243735079053565,8.262300153822688,8.271634089319992,8.277277692417526,8.281041659235523,8.283748087350366,8.285757347196517,8.287337475403406,8.288604580637134,second
+275,13.17,97,3.955407383690405e+17,1.5,0.4054651081081644,130.0,Unknown,Base,0,0.14857429087986748,0.12073670925454645,2.2,1.4479263415828456,1.0809316101926467,0.8608861753370654,0.7144468994042081,0.6117407913496413,0.5340243977048668,0.4738916913754825,0.4263752137723918,0.3873596161981624,0.35469813775705195,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.38,2.65,3.026036829208577,3.2095341949036764,3.319556912331467,3.3927765502978957,3.444129604325179,3.4829878011475666,3.5130541543122584,3.536812393113804,3.5563201919009186,3.5726509311214736,second
+272,3.88,96,3.617642873828976e+17,3.41,1.2267122912954254,159.8,Unknown,Enzyme,0,0.13243554089456483,0.07938183245448646,4.02,3.61587313236383,3.2523735643751044,2.925176208354588,2.630671396726317,2.3658746273734916,2.1279575665588837,1.914248018772151,1.722229926729838,1.5495433713753746,1.3939845718790767,1.51,1.51,1.51,1.51,1.51,1.51,1.51,1.51,1.51,1.51,1.51,2.38,2.7841268676361697,3.147626435624895,3.4748237916454117,3.7693286032736824,4.034125372626508,4.272042433441116,4.485751981227849,4.677770073270161,4.850456628624625,5.006015428120923,first
+270,1.49,99,3.2692891736030714e+17,0.83,-0.18632957819149348,128.1,Ring,None,1,0.022964672727340603,0.020335061608181677,1.71,1.7451589096013342,1.7791207719425262,1.8119263425678567,1.8436150739408501,1.8742249750683362,1.9037926334947206,1.9323534997461598,1.9599418900771755,1.9865909864706566,2.0123328366378574,0.26,0.26,0.26,0.26,0.26,0.26,0.26,0.26,0.26,0.26,0.26,4.13,4.094841090398665,4.060879228057473,4.0280736574321425,3.9963849260591497,3.9657750249316637,3.936207366505279,3.90764650025384,3.880058109922824,3.853409013529343,3.827667163362142,first
+272,6.12,99,5.52774269997699e+16,0.87,-0.13926206733350766,81.6,Linear,Enzyme,1,0.005370175966949337,0.004617810280774992,9.29,5.2029911632675265,4.0262791306141725,3.4160264312394,3.035276160723174,2.768317230432741,2.5736983885580016,2.4219670358101038,2.301149534842755,2.2035930914994943,2.1229865745930594,2.26,2.26,2.26,2.26,2.26,2.26,2.26,2.26,2.26,2.26,2.26,2.08,3.442336278910825,3.834573623128609,4.037991189586867,4.164907946425609,4.25389425652242,4.318767203814,4.369344321396633,4.409616821719083,4.442135636166836,4.469004475135648,third
+276,2.93,98,2.742822254475868e+17,4.62,1.5303947050936475,188.9,Linear,Acid,0,0.07770437589606427,0.06426285905188811,2.65,2.5878364992831484,2.525672998566297,2.463509497849446,2.4013459971325943,2.339182496415743,2.2770189956988913,2.2148554949820403,2.1526919942651888,2.0905284935483373,2.028364992831486,2.92,2.92,2.92,2.92,2.92,2.92,2.92,2.92,2.92,2.92,2.92,2.49,2.5521635007168517,2.6143270014337032,2.6764905021505543,2.738654002867406,2.8008175035842573,2.8629810043011084,2.92514450501796,2.9873080057348114,3.049471506451663,3.1116350071685144,zero
+279,5.3,94,7.167185549292485e+16,3.15,1.1474024528375417,33.6,Linear,Enzyme,0,0.1802791205511453,0.1271274644586504,1.41,1.0159020481489005,0.8194035531086761,0.697042704158263,0.6124204920820273,0.5490677272356398,0.4994192617533264,0.4596638651107489,0.42674970790264116,0.3987196130985827,0.37466703513124255,1.07,0.8729510240744504,0.7747017765543381,0.7135213520791316,0.6712102460410138,0.6395338636178199,0.6147096308766633,0.5948319325553746,0.5783748539513207,0.5643598065492915,0.5523335175656214,0.13,0.3270489759255497,0.4252982234456619,0.4864786479208685,0.5287897539589863,0.5604661363821801,0.5852903691233368,0.6051680674446255,0.6216251460486794,0.6356401934507085,0.6476664824343786,third
+271,10.71,97,3.3133750619936205e+17,4.06,1.4011829736136412,125.3,Branched,None,0,0.06653706990856346,0.03548123449709878,8.42,1.736089199760563,1.2399132828687713,1.0165129521821927,0.8816480250155844,0.7897021119098632,0.7209819423348798,0.6681590655344776,0.6254515567095754,0.5896973942850942,0.5594498897100878,4.42,4.42,4.42,4.42,4.42,4.42,4.42,4.42,4.42,4.42,4.42,4.46,6.68797026674648,6.8533622390437445,6.92782901593927,6.972783991661473,7.00343262936338,7.026339352555041,7.043946978155176,7.058182814430142,7.070100868571636,7.080183370096639,third
+270,12.51,96,3.8134723652459354e+17,3.13,1.1410330045520618,173.3,Linear,None,1,0.1019373592357727,0.08075090571347374,1.39,1.2742107418462962,1.2034015998790994,1.1580130612631523,1.1291255423275408,1.1107792214622374,1.0981778168490357,1.0900624882926322,1.0850714773124024,1.0815873941417895,1.079205491274024,0.98,0.98,0.98,0.98,0.98,0.98,0.98,0.98,0.98,0.98,0.98,1.3,1.3578946290768519,1.3932992000604503,1.4159934693684237,1.4304372288362297,1.4396103892688812,1.445911091575482,1.4499687558536838,1.4524642613437988,1.454206302929105,1.4553972543629876,second
+271,12.47,90,4.894778377282249e+16,3.06,1.1184149159642893,87.9,Ring,Base,0,0.21968938835454094,0.14266940051332352,9.72,2.204479215261238,1.2441358651610088,0.8668633707264551,0.6648298820154888,0.5391687214658285,0.4535679177581051,0.3916097761927374,0.3441495053443353,0.3071701977052137,0.2773954038356262,4.48,4.48,4.48,4.48,4.48,4.48,4.48,4.48,4.48,4.48,4.48,0.32,4.077760392369382,4.557932067419496,4.7465683146367725,4.847585058992256,4.910415639267086,4.953216041120948,4.984195111903631,5.007925247327832,5.026414901147393,5.041302298082187,second
+280,10.32,99,1.20689207338722e+17,2.1,0.7419373447293773,22.6,Unknown,Enzyme,1,0.04095671461344748,0.03222992390594922,5.4,3.501146287378469,2.9325522772718178,2.667422850748862,2.5244257909640817,2.4398248736179053,2.389646315390059,2.3575369107946256,2.3377124485437726,2.3255076457220794,2.317274471199996,2.35,1.400573143689234,1.1162761386359084,0.9837114253744305,0.9122128954820403,0.8699124368089522,0.844823157695029,0.8287684553973121,0.8188562242718858,0.812753822861039,0.8086372355999975,3.85,4.799426856310766,5.083723861364091,5.216288574625569,5.287787104517959,5.330087563191047,5.355176842304971,5.371231544602687,5.3811437757281135,5.387246177138961,5.391362764400002,third
+272,12.91,99,3.6393593778528384e+17,2.29,0.8285518175661483,109.7,Branched,None,1,0.03535620474179878,0.030217955233257713,9.19,8.363565835213414,7.787028349861232,7.3698879414514495,7.064002399752286,6.833486799561293,6.656022009900908,6.520021433573907,6.415051881401561,6.3324479146718815,6.267463458626895,4.24,3.413565835213415,2.837028349861232,2.4198879414514503,2.114002399752287,1.8834867995612945,1.7060220099009085,1.5700214335739084,1.4650518814015614,1.3824479146718824,1.3174634586268956,4.36,5.1864341647865855,5.762971650138768,6.18011205854855,6.485997600247714,6.7165132004387065,6.893977990099092,7.0299785664260925,7.134948118598439,7.217552085328118,7.282536541373105,second
+278,5.2,91,2.90378063433614e+17,1.49,0.3987761199573678,158.5,Branched,Acid,0,2.3118353794936923,1.4112089253631979,6.86,1.0802212538784077,0.17016603226502766,0.026810355515258764,0.004224865394095752,0.000665957280719163,0.00010532298777871937,1.6436221240358807e-05,2.5298732712760076e-06,2.993166745187856e-07,1.9629518042964618e-07,3.97,3.97,3.97,3.97,3.97,3.97,3.97,3.97,3.97,3.97,3.97,2.86,8.639778746121593,9.54983396773497,9.69318964448474,9.715775134605902,9.71933404271928,9.71989467701222,9.719983563778758,9.719997470126726,9.719999700683323,9.719999803704816,first
+280,5.68,94,3.376550849373272e+17,4.58,1.5216989981260935,187.4,Linear,Acid,1,0.9815786163530537,0.6113304650498657,4.42,1.9204051927957888,1.8697816919762078,1.867694655279475,1.8665567345750316,1.867940665995259,1.8675836029427206,1.867060070474048,1.866288783820591,1.867411551796652,1.8681884211197661,4.46,1.9604051927957888,1.9097816919762078,1.9076946552794751,1.9065567345750316,1.9079406659952591,1.9075836029427207,1.9070600704740481,1.906288783820591,1.9074115517966521,1.9081884211197662,3.17,5.669594807204211,5.720218308023792,5.7223053447205245,5.723443265424969,5.722059334004741,5.7224163970572794,5.722939929525952,5.723711216179409,5.722588448203348,5.721811578880234,second
+274,4.23,96,1.4855187957870765e+17,1.13,0.12221763272424911,25.5,Linear,Acid,0,0.07413604709422358,0.0614630931789845,2.67,2.184373322308561,1.9264422497185087,1.7570738838540723,1.6368639726273138,1.5469577644315906,1.4770769921011322,1.4201567191748825,1.373196716022473,1.3338578891066193,1.3003124682239493,0.84,0.5971866611542807,0.46822112485925454,0.38353694192703625,0.32343198631365694,0.2784788822157954,0.24353849605056624,0.21507835958744131,0.1915983580112365,0.17192894455330976,0.15515623411197477,4.09,4.332813338845719,4.461778875140745,4.5464630580729635,4.606568013686343,4.651521117784204,4.686461503949434,4.714921640412558,4.738401641988763,4.75807105544669,4.774843765888025,third
+275,9.6,91,1.2915396096697752e+17,4.69,1.545432582458188,155.0,Unknown,None,1,0.6692158375694969,0.3888925496045407,7.8,1.6038046358108404,1.5449841427303388,1.5433639822976493,1.5433787781511619,1.5443456644809628,1.543573842722332,1.542764013366974,1.5422444585312376,1.5420853482786498,1.5436476957272478,4.78,4.78,4.78,4.78,4.78,4.78,4.78,4.78,4.78,4.78,4.78,0.97,4.06809768209458,4.09750792863483,4.098318008851174,4.098310610924418,4.097827167759517,4.098213078638833,4.098617993316512,4.098877770734379,4.098957325860673,4.098176152136374,second
+275,10.53,93,3.2029441940782765e+17,3.69,1.3056264580524357,46.4,Unknown,Base,0,0.6919995960198332,0.6084714744501606,7.4,4.252605264806277,2.4453432550853167,1.4062294161981064,0.808733885055867,0.46561376454454617,0.26748400885415047,0.15408176139020466,0.08850459127130574,0.05097001077701002,0.02930708382319914,4.46,4.46,4.46,4.46,4.46,4.46,4.46,4.46,4.46,4.46,4.46,0.23,0.23,0.23,0.23,0.23,0.23,0.23,0.23,0.23,0.23,0.23,first
+274,8.79,93,1.954610447764378e+17,2.04,0.712949807856125,183.8,Unknown,Enzyme,1,0.36403594090354985,0.25745970720165523,9.19,2.3485488676104147,2.1660857175050574,2.1545169570731146,2.153620831057167,2.1518566276269424,2.1551183484404333,2.155677601024556,2.154226473724054,2.1523160140039685,2.154416068789116,4.19,4.19,4.19,4.19,4.19,4.19,4.19,4.19,4.19,4.19,4.19,3.04,6.460725566194792,6.551957141247471,6.557741521463442,6.558189584471417,6.559071686186529,6.557440825779784,6.557161199487722,6.557886763137973,6.5588419929980155,6.557791965605442,second
+275,1.98,100,4.8354114549121926e+17,1.87,0.6259384308664954,198.6,Unknown,None,0,0.04890270294480206,0.0393412108577724,7.11,4.582340636916861,3.3793722804500934,2.6744967725359805,2.212448860311507,1.8884388188990373,1.6447160891931258,1.4582489851146179,1.3103081560332668,1.1884768705936397,1.0873652598787436,4.45,4.45,4.45,4.45,4.45,4.45,4.45,4.45,4.45,4.45,4.45,4.47,5.73382968154157,6.335313859774954,6.6877516137320105,6.918775569844247,7.080780590550482,7.202641955403438,7.295875507442692,7.369845921983367,7.430761564703181,7.481317370060629,second
+279,2.58,99,3.5811316251491955e+17,1.14,0.131028262406404,23.9,Unknown,Enzyme,0,0.10434667088694488,0.088197584547563,2.95,2.713739989654291,2.496401982841412,2.2964539493582303,2.112471405888613,1.9432295593350928,1.787580849375082,1.6444438612348695,1.5128033256896203,1.3917101190633745,1.280281263229049,0.66,0.66,0.66,0.66,0.66,0.66,0.66,0.66,0.66,0.66,0.66,2.34,2.34,2.34,2.34,2.34,2.34,2.34,2.34,2.34,2.34,2.34,first
+272,9.16,93,3.0850014492283437e+17,2.82,1.0367368849500223,145.2,Unknown,Enzyme,0,0.4255713575468939,0.35925224690665486,7.78,5.534983388319252,3.9369192233605195,2.7995265776575904,1.994271696375662,1.418324687876896,1.0089089548523664,0.7189055628206629,0.5110738807652583,0.363687846013177,0.25914531385353046,3.9,3.9,3.9,3.9,3.9,3.9,3.9,3.9,3.9,3.9,3.9,3.55,5.795016611680747,7.393080776639481,8.530473422342409,9.335728303624338,9.911675312123105,10.321091045147634,10.611094437179338,10.81892611923474,10.966312153986822,11.070854686146468,first
+277,10.02,94,3.479220781511559e+17,1.75,0.5596157879354227,113.3,Ring,Enzyme,0,0.6531414833103664,0.46269981170926655,5.57,5.047486813351707,4.524973626703414,4.0024604400551205,3.479947253406828,2.957434066758535,2.434920880110241,1.9124076934619474,1.3898945068136541,0.8673813201653608,0.3448681335170676,2.54,2.54,2.54,2.54,2.54,2.54,2.54,2.54,2.54,2.54,2.54,2.72,3.2425131866482935,3.7650263732965863,4.28753955994488,4.810052746593173,5.332565933241465,5.855079119889759,6.3775923065380535,6.900105493186347,7.42261867983464,7.945131866482933,zero
+275,8.53,92,1.7323930589286317e+17,4.65,1.536867219599265,87.3,Linear,None,1,0.579634076728826,0.3143272824706445,5.37,3.3825264392166283,3.1897941500188978,3.1625897596111097,3.1585942142256065,3.1580433199635816,3.1580460009769005,3.1577502136090474,3.158199804830324,3.1576451130059966,3.1583375097841215,2.64,0.652526439216628,0.45979415001889756,0.4325897596111096,0.42859421422560673,0.428043319963582,0.42804600097690065,0.4277502136090478,0.428199804830324,0.4276451130059971,0.42833750978412216,0.28,2.267473560783372,2.4602058499811026,2.4874102403888907,2.491405785774394,2.491956680036419,2.4919539990231,2.492249786390953,2.4918001951696764,2.4923548869940038,2.491662490215879,second
+271,8.86,93,2.4568497037156744e+16,3.45,1.2383742310432684,181.6,Linear,Enzyme,0,0.029119941935815623,0.025274606813668245,5.79,5.4611044088371035,5.186882811964325,4.955270414362256,4.7582092816938095,4.588946855403163,4.441867431752857,4.312801746106992,4.199294447694146,4.09897635102517,4.00986751994399,2.68,2.3511044088371036,2.0768828119643246,1.8452704143622563,1.6482092816938092,1.478946855403163,1.3318674317528565,1.2028017461069918,1.089294447694146,0.9889763510251706,0.8998675199439895,0.3,0.6288955911628968,0.9031171880356755,1.1347295856377442,1.3317907183061912,1.5010531445968374,1.6481325682471437,1.7771982538930085,1.8907055523058542,1.9910236489748296,2.080132480056011,second
+277,6.5,99,2.7393129738818634e+17,2.07,0.7275486072772777,65.1,Unknown,Base,0,0.05865017906095659,0.052670035617372206,6.75,6.440604196256985,6.145390050121825,5.863707014575267,5.594930468631071,5.338473418680426,5.093775043714951,4.860297009289716,4.637523467523254,4.424961057097549,4.222138903258049,1.55,1.55,1.55,1.55,1.55,1.55,1.55,1.55,1.55,1.55,1.55,2.24,2.24,2.24,2.24,2.24,2.24,2.24,2.24,2.24,2.24,2.24,first
+279,8.58,99,2.936270684031085e+17,4.46,1.4951487660319727,160.4,Ring,Enzyme,0,0.08555677444243938,0.047133832307151693,2.75,2.568072151617189,2.3981798777901737,2.2395094089296714,2.091324158250869,1.952950917007355,1.823749727219154,1.7031138816727296,1.5904699239209792,1.4852776482832386,1.387030099845279,1.76,1.76,1.76,1.76,1.76,1.76,1.76,1.76,1.76,1.76,1.76,0.86,1.0419278483828107,1.211820122209826,1.370490591070328,1.5186758417491306,1.657049082992645,1.7862502727808454,1.90688611832727,2.0195300760790205,2.1247223517167613,2.2229699001547205,first
+276,12.07,93,2.3465330181614262e+17,1.14,0.131028262406404,181.3,Branched,Enzyme,0,0.5874736186949625,0.3444032658985956,9.12,5.069016519555437,4.844744767060101,4.82256403525983,4.820267174181767,4.820027894773342,4.820002947063756,4.820000284800888,4.820000169584955,4.820000004217777,4.820000159732077,4.3,0.24901651955543835,0.02474476706010218,0.002564035259830756,0.00026717418176861623,2.7894773343355866e-05,2.947063757990922e-06,2.8480088959955115e-07,1.6958495718118172e-07,4.217778283015949e-09,1.5973207842133683e-07,0.83,4.880983480444562,5.105255232939898,5.12743596474017,5.129732825818232,5.129972105226657,5.129997052936243,5.129999715199111,5.129999830415044,5.129999995782223,5.1299998402679226,second
+275,12.12,91,8.91808573340383e+16,3.57,1.2725655957915476,147.1,Ring,Acid,0,0.46209378085759006,0.3519050097155361,7.43,7.060324975313928,6.690649950627855,6.320974925941783,5.9512999012557115,5.58162487656964,5.211949851883567,4.842274827197494,4.472599802511422,4.102924777825351,3.7332497531392774,4.2,4.2,4.2,4.2,4.2,4.2,4.2,4.2,4.2,4.2,4.2,4.68,5.0496750246860715,5.419350049372144,5.789025074058216,6.158700098744288,6.52837512343036,6.8980501481164325,7.267725172802505,7.637400197488577,8.007075222174649,8.376750246860722,zero
+277,6.08,93,1.839247257938763e+17,2.17,0.7747271675523681,164.8,Ring,Base,0,0.5330217306280751,0.4665169313061054,6.82,1.3751892332124214,1.090029579178796,0.9711359903580301,0.9055547762623163,0.8644003485488735,0.8367967764133085,0.8173857246811785,0.8034521369947639,0.7931193982847354,0.7853981655593819,3.03,0.30759461660621035,0.16501478958939772,0.10556799517901477,0.07277738813115786,0.05220017427443644,0.03839838820665395,0.028692862340588977,0.021726068497381668,0.016559699142367386,0.012699082779690656,4.66,7.38240538339379,7.524985210410602,7.584432004820985,7.617222611868843,7.637799825725564,7.651601611793346,7.661307137659411,7.668273931502618,7.673440300857633,7.677300917220309,third
+273,6.73,99,1.7075149128729574e+17,4.03,1.3937663759585917,103.0,Linear,Enzyme,1,0.019473691095581815,0.01331433513271726,2.55,2.0331554962113563,1.7599450345754215,1.5803406165510059,1.4554295300330817,1.3635472872414605,1.2946202233084472,1.2403808210157101,1.1966451246320686,1.161325562300174,1.1324088286503673,3.65,3.65,3.65,3.65,3.65,3.65,3.65,3.65,3.65,3.65,3.65,0.83,1.0022815012628812,1.093351655141526,1.1532197944829978,1.1948568233223058,1.2254842375861796,1.2484599255638507,1.2665397263280964,1.2811182917893102,1.292891479233275,1.3025303904498773,third
+274,6.34,93,2.7682871430107485e+17,1.62,0.4824261492442928,66.2,Ring,Enzyme,1,0.5155789563847657,0.44169523217868895,2.55,2.346749127749254,2.255932611934245,2.2114464354099903,2.191210998707593,2.1813059766769394,2.177488454874679,2.1749191582724743,2.17410762267554,2.1739345341335063,2.173561944760254,0.88,0.88,0.88,0.88,0.88,0.88,0.88,0.88,0.88,0.88,0.88,2.16,2.363250872250746,2.454067388065755,2.4985535645900097,2.518789001292407,2.5286940233230606,2.532511545125321,2.5350808417275257,2.53589237732446,2.5360654658664936,2.536438055239746,first
+274,6.57,95,1.4298883285500408e+17,1.43,0.3576744442718159,188.4,Unknown,None,1,0.11068726424875278,0.08926532174168252,6.6,5.806592396896542,5.780926217184954,5.779854176211608,5.779764853055305,5.779755982469172,5.779920287070693,5.779944789009571,5.779965521442336,5.780014524279054,5.7799351735296325,0.49,0.0932961984482713,0.08046310859247688,0.07992708810580418,0.0798824265276524,0.07987799123458611,0.07996014353534628,0.07997239450478502,0.07998276072116808,0.08000726213952705,0.07996758676481641,2.9,3.296703801551729,3.309536891407523,3.3100729118941956,3.3101175734723474,3.3101220087654135,3.310039856464653,3.3100276054952142,3.3100172392788316,3.3099927378604725,3.3100324132351835,third
+275,12.49,90,3.624896833545655e+17,3.37,1.2149127443642704,43.9,Ring,None,1,2.908741565747551,1.7786017983680649,3.44,1.1575072887093587,1.1593890206574007,1.1569093941019313,1.158112813654588,1.1582048359593777,1.1569731229183382,1.1587458662256587,1.1575967667801932,1.1573694494892977,1.1587275294881045,3.92,2.778753644354679,2.7796945103287,2.778454697050965,2.7790564068272943,2.7791024179796886,2.778486561459168,2.7793729331128287,2.7787983833900958,2.7786847247446467,2.7793637647440486,4.95,6.091246355645319,6.090305489671298,6.091545302949032,6.090943593172703,6.0908975820203075,6.091513438540826,6.0906270668871665,6.0912016166099,6.091315275255347,6.090636235255943,third
+276,13.56,98,9.377717016428374e+16,4.58,1.5216989981260935,157.0,Ring,Base,1,0.02656714801341422,0.01936308630722921,4.35,2.4154440730428366,1.910713488580333,1.6704599987830286,1.533245973286949,1.4476988401203439,1.391444201190216,1.3525034095046453,1.32620897360493,1.3076771178361484,1.2941261938427593,1.7,1.7,1.7,1.7,1.7,1.7,1.7,1.7,1.7,1.7,1.7,1.71,2.354851975652388,2.5230955038065552,2.603180000405657,2.6489180089043503,2.677433719959885,2.696185266269928,2.709165530165118,2.71793034213169,2.7241076273879505,2.7286246020524136,third
+271,6.43,94,4.0798831999096877e+17,3.35,1.208960345836975,147.1,Ring,Enzyme,1,0.31024510261127664,0.275747027636658,9.52,8.291996615441553,7.523942419632258,7.04208828591478,6.743832073966458,6.5539656150110295,6.437007118801443,6.363757936119707,6.3162876421276035,6.288208898261284,6.270992545168739,1.61,1.61,1.61,1.61,1.61,1.61,1.61,1.61,1.61,1.61,1.61,3.74,4.968003384558448,5.736057580367742,6.217911714085219,6.516167926033542,6.70603438498897,6.822992881198557,6.896242063880293,6.943712357872396,6.971791101738716,6.989007454831261,first
+270,5.95,94,2.0986283424194774e+17,2.94,1.0784095813505903,96.6,Unknown,Acid,0,0.13673684115200593,0.09448714734539344,7.24,5.17627134997883,4.2856797672708655,3.8099038455151493,3.5272064708250666,3.3467335939469005,3.2273604978299595,3.1457244720408717,3.089445601924541,3.0496817678542625,3.0215349516060934,4.29,2.22627134997883,1.3356797672708653,0.8599038455151495,0.5772064708250668,0.3967335939469008,0.27736049782995975,0.195724472040872,0.13944560192454125,0.099681767854263,0.07153495160609386,4.45,6.51372865002117,7.404320232729135,7.88009615448485,8.162793529174932,8.343266406053099,8.462639502170038,8.544275527959126,8.600554398075458,8.640318232145736,8.668465048393905,second
+277,3.9,90,2.3344426680626195e+17,1.25,0.22314355131420976,196.3,Ring,None,0,2.4890095628803115,2.0125906236146927,1.48,0.21546658004251848,0.11610785667409464,0.07947655437925026,0.06043449118132221,0.048768294125391215,0.04084850406299845,0.03514426945337968,0.030873133736543455,0.027494184193878436,0.024781064970400942,0.61,0.61,0.61,0.61,0.61,0.61,0.61,0.61,0.61,0.61,0.61,4.14,4.772266709978741,4.8219460716629525,4.840261722810375,4.849782754409339,4.855615852937304,4.859575747968501,4.86242786527331,4.864563433131728,4.8662529079030605,4.8676094675148,second
+271,10.58,95,2.5206524141192176e+17,1.29,0.25464221837358075,91.7,Branched,Base,0,0.1229746107533883,0.08876773046909144,4.41,1.2510028254465666,0.9024684654944197,0.7424726411717502,0.644933094581182,0.5784486267165757,0.5284379934807085,0.4898582287972446,0.4588335634326023,0.43275161483433044,0.4106495045349543,1.52,1.52,1.52,1.52,1.52,1.52,1.52,1.52,1.52,1.52,1.52,2.11,3.162999058184478,3.279177178168527,3.3325091196094165,3.3650223018062726,3.3871837910944746,3.403854002173097,3.416713923734252,3.427055478855799,3.43574946172189,3.443116831821682,third
+275,8.06,91,3.185556215081757e+17,2.66,0.9783261227936078,152.2,Linear,Acid,0,1.650607271073727,1.2536829142595836,4.85,1.2967664287791083,0.3463103478378752,0.09269919127055977,0.024779462669727814,0.006619510524728936,0.0017724671657009324,0.0004737786416652608,0.00012645927192619574,3.3724789583400064e-05,9.206327145120014e-06,0.44,0.44,0.44,0.44,0.44,0.44,0.44,0.44,0.44,0.44,0.44,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,first
+273,4.44,93,4.326344789717987e+17,3.23,1.172482137234565,99.5,Branched,Base,0,0.693841748898978,0.5578094986019326,1.47,0.8435264468870701,0.4843355144174403,0.27811899974709137,0.15970861774050246,0.09181750399374627,0.05266762549257775,0.030294172755302187,0.017375723757099636,0.009991866856052634,0.00573686069502695,0.27,0.27,0.27,0.27,0.27,0.27,0.27,0.27,0.27,0.27,0.27,2.67,2.67,2.67,2.67,2.67,2.67,2.67,2.67,2.67,2.67,2.67,first
+274,6.83,99,7.570466101420774e+16,3.74,1.3190856114264407,171.5,Branched,Enzyme,0,0.010123743221930177,0.006796487844567282,9.91,9.830063104892211,9.750771003653854,9.672118495253406,9.594100420447448,9.516711661255659,9.43994714200449,9.363801827805135,9.288270723838227,9.213348875353844,9.139031367671508,1.49,1.49,1.49,1.49,1.49,1.49,1.49,1.49,1.49,1.49,1.49,2.18,2.18,2.18,2.18,2.18,2.18,2.18,2.18,2.18,2.18,2.18,first
+279,3.43,92,1.872273300583111e+17,1.99,0.688134638736401,138.8,Branched,Acid,0,1.1153763061618809,0.9501583884054927,9.16,9.119999546818848,9.120000944909696,9.11999895922429,9.120001382558797,9.11999967686939,9.12000003303729,9.120000014986719,9.119999431957764,9.120001021729065,9.120001017768319,0.02,-2.265905747801258e-07,4.72454849825497e-07,-5.203878518763113e-07,6.91279400622075e-07,-1.6156530300423833e-07,1.6518647267395974e-08,7.493359711926088e-09,-2.840211170818938e-07,5.108645343558121e-07,5.088841609608947e-07,4.59,4.610000226590576,4.609999527545152,4.610000520387855,4.609999308720601,4.610000161565305,4.609999983481355,4.609999992506641,4.610000284021118,4.609999489135467,4.609999491115841,third
+278,8.43,95,1.8247978221461594e+17,4.02,1.3912819026309295,171.8,Linear,None,0,0.2573968076426236,0.17121226143153517,5.57,1.337951130386447,0.9219199656960876,0.7321179553308568,0.618599043437917,0.5411071546961479,0.4842436612991077,0.43976271314049703,0.40433912699417446,0.37530548435977235,0.3506481294760951,3.06,0.9439755651932238,0.7359599828480441,0.6410589776654286,0.5842995217189587,0.5455535773480742,0.5171218306495541,0.4948813565702488,0.4771695634970875,0.46265274217988644,0.4503240647380478,2.22,4.3360244348067765,4.544040017151956,4.6389410223345715,4.695700478281042,4.734446422651927,4.762878169350446,4.785118643429752,4.802830436502913,4.817347257820114,4.829675935261953,third
+278,1.29,92,4.491061271599267e+17,3.33,1.2029723039923526,182.6,Ring,None,1,2.3197485217979867,1.6542057726437847,4.26,1.8383797466650271,1.841124841364748,1.83818423310503,1.8411881831469241,1.8374444615631162,1.838639366482575,1.838802743500763,1.8393001454957456,1.838025255730494,1.8408229922620034,3.9,3.9,3.9,3.9,3.9,3.9,3.9,3.9,3.9,3.9,3.9,3.53,4.740810126667486,4.7394375793176255,4.740907883447485,4.739405908426538,4.741277769218443,4.740680316758714,4.74059862824962,4.740349927252129,4.740987372134755,4.739588503869,second
+271,2.93,97,7.761217196717077e+16,1.85,0.6151856390902335,96.5,Unknown,Base,0,0.015585577893581169,0.011387216784268,3.96,3.947531537685135,3.93506307537027,3.9225946130554052,3.91012615074054,3.8976576884256753,3.88518922611081,3.8727207637959453,3.8602523014810806,3.8477838391662154,3.8353153768513506,1.02,1.02,1.02,1.02,1.02,1.02,1.02,1.02,1.02,1.02,1.02,1.51,1.522468462314865,1.5349369246297297,1.5474053869445947,1.5598738492594597,1.5723423115743245,1.5848107738891895,1.5972792362040544,1.6097476985189194,1.6222161608337844,1.6346846231486494,zero
+271,8.37,91,4.563557170667695e+17,4.23,1.4422019930581866,170.2,Branched,None,1,1.3140891571657873,1.030107741540127,9.58,2.56623148282115,2.5644727495415918,2.5669923599120934,2.5653817115164728,2.5669742268751454,2.565377292684984,2.566532089835494,2.564764119247252,2.5665119127379157,2.5669885678890663,0.32,0.32,0.32,0.32,0.32,0.32,0.32,0.32,0.32,0.32,0.32,4.89,8.396884258589425,8.397763625229206,8.396503820043957,8.397309144241767,8.396512886562432,8.397311353657512,8.396733955082256,8.39761794037638,8.396744043631045,8.39650571605547,second
+277,3.64,94,4.361359311924323e+17,3.95,1.3737155789130306,51.2,Ring,Base,0,0.8187421463383403,0.4297428230336278,7.49,3.8877575291693622,2.0214114261782825,1.0516551715696485,0.5459078960871054,0.283887818542381,0.1477069558689645,0.07667408365137682,0.03986867816050548,0.020745612876297018,0.010776977499168911,3.21,3.21,3.21,3.21,3.21,3.21,3.21,3.21,3.21,3.21,3.21,0.88,0.88,0.88,0.88,0.88,0.88,0.88,0.88,0.88,0.88,0.88,first
+280,8.96,92,3.8888546759024755e+17,3.02,1.1052568313867783,177.8,Branched,Enzyme,0,2.6692641609086087,1.5148766404210439,1.79,0.20764847726612778,0.11028829486883115,0.07507855089379684,0.05691483105230917,0.04578679488826557,0.03834904135903421,0.03296175709619927,0.028892790730187502,0.02575022245000219,0.02321209718554983,0.45,0.45,0.45,0.45,0.45,0.45,0.45,0.45,0.45,0.45,0.45,2.1,2.8911757613669358,2.939855852565584,2.9574607245531013,2.9665425844738453,2.972106602555867,2.975825479320483,2.9785191214519,2.980553604634906,2.9821248887749987,2.983393951407225,second
+280,11.17,91,3.4692281705991904e+17,2.78,1.0224509277025455,42.8,Ring,None,0,3.6589942668098634,1.9258753197330927,1.47,-1.4571954134478908,-4.384390826895782,-7.311586240343673,-10.238781653791566,-13.165977067239456,-16.093172480687358,-19.020367894135244,-21.947563307583142,-24.874758721031014,-27.80195413447891,1.07,1.07,1.07,1.07,1.07,1.07,1.07,1.07,1.07,1.07,1.07,0.24,3.167195413447891,6.094390826895782,9.021586240343673,11.948781653791567,14.875977067239457,17.80317248068736,20.730367894135245,23.657563307583143,26.584758721031015,29.51195413447891,zero
+277,4.9,100,4.282535500495479e+17,3.05,1.1151415906193203,109.9,Branched,None,0,0.059394898081492134,0.03789487795371375,9.2,8.773076636406103,8.365964620249487,7.977743837760864,7.607531239810089,7.254497912930474,6.91785226305284,6.596834757300078,6.290717923987154,5.998806352621099,5.720436693901021,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,4.23,4.23,4.23,4.23,4.23,4.23,4.23,4.23,4.23,4.23,4.23,first
+278,7.83,96,7.349262343678205e+16,1.22,0.19885085874516517,48.3,Ring,Acid,1,0.06725599128096317,0.05875680879472478,3.74,2.194725631911193,1.7895795761991042,1.6215684977658467,1.5419994858986699,1.502227817693091,1.4810965194742007,1.4702303775662655,1.4646194744644538,1.4613439981175909,1.4596992618087747,2.63,1.8573628159555964,1.654789788099552,1.5707842488829231,1.5309997429493347,1.5111139088465453,1.5005482597371,1.4951151887831324,1.492309737232227,1.4906719990587953,1.4898496309043872,2.48,3.2526371840444037,3.4552102119004475,3.5392157511170765,3.5790002570506645,3.5988860911534544,3.6094517402628994,3.614884811216867,3.617690262767773,3.6193280009412043,3.6201503690956125,third
+270,2.04,93,1.742663198617771e+17,0.78,-0.2484613592984996,76.0,Ring,Base,1,0.1772687106010311,0.09511225543844222,4.35,1.14836475645491,0.945754060614087,0.8889821595303935,0.8700573576140385,0.8635490909306048,0.860816790073958,0.8602172907230018,0.8596352569994755,0.8596004651560497,0.8597022922634642,3.18,3.18,3.18,3.18,3.18,3.18,3.18,3.18,3.18,3.18,3.18,0.02,1.0872117478483634,1.1547486464619712,1.173672613489869,1.1799808807953207,1.182150303023132,1.1830610699753477,1.1832609030923331,1.1834549143335085,1.1834665116146503,1.183432569245512,third
+273,7.05,96,4.8169929999964704e+17,0.53,-0.6348782724359695,147.8,Linear,Acid,0,0.20600964371257904,0.14174324152583923,9.68,2.313308409775342,1.31514230112673,0.9182316985500052,0.7053012982491683,0.5731500469579527,0.48202237617155363,0.4161918060746713,0.3664269486151258,0.3269376528360172,0.2951370704566154,2.3,2.3,2.3,2.3,2.3,2.3,2.3,2.3,2.3,2.3,2.3,0.93,4.613345795112329,5.112428849436635,5.3108841507249975,5.417349350875416,5.4834249765210235,5.528988811914223,5.561904096962664,5.586786525692437,5.606531173581991,5.622431464771692,second
+277,5.43,95,2.933208345277499e+17,3.54,1.264126727145683,50.7,Ring,Enzyme,1,0.3566881432655479,0.3182005068858662,1.98,2.4643881922433932,2.7459457056384506,2.910923822171735,3.005737835240154,3.062383833435395,3.094268250505472,3.1134125268124673,3.1249108176260694,3.1307276629956236,3.1344210628936082,1.68,1.68,1.68,1.68,1.68,1.68,1.68,1.68,1.68,1.68,1.68,4.68,4.195611807756607,3.9140542943615495,3.749076177828265,3.6542621647598463,3.597616166564605,3.565731749494528,3.546587473187533,3.5350891823739308,3.5292723370043766,3.525578937106392,first
+276,10.43,98,1.59162086428625e+17,3.67,1.3001916620664788,109.8,Branched,Base,1,0.04509074757604042,0.038023030628779035,4.22,3.3822172275098468,2.891618506615119,2.5754889725972157,2.366635309839411,2.220522856077094,2.118690645805571,2.046634728159619,1.9935052661660453,1.9549672971750431,1.926854480266107,3.14,3.14,3.14,3.14,3.14,3.14,3.14,3.14,3.14,3.14,3.14,2.86,3.2788913862450766,3.52419074669244,3.6822555137013917,3.786682345080294,3.8597385719614525,3.910654677097214,3.9466826359201903,3.973247366916977,3.992516351412478,4.0065727598669465,second
+277,3.62,95,1.5968383175252698e+17,0.92,-0.08338160893905101,185.9,Ring,None,0,0.19418098802643521,0.10013870873758059,3.21,1.6840665887844648,1.308450076719679,1.1192896981307427,1.0001287362970166,0.9170910241786542,0.8543392593823786,0.8055588094668978,0.7660519220563885,0.732989080036717,0.7050035869406844,1.42,0.6570332943922322,0.4692250383598393,0.3746448490653712,0.3150643681485081,0.2735455120893269,0.24216962969118916,0.21777940473344876,0.1980259610281941,0.18149454001835838,0.16750179347034205,4.48,5.242966705607768,5.430774961640161,5.5253551509346295,5.584935631851493,5.6264544879106735,5.657830370308812,5.682220595266552,5.701974038971807,5.7185054599816425,5.732498206529659,third
+273,13.91,95,5.794093325685436e+16,2.47,0.9042181506398859,157.5,Branched,Base,0,0.038498127820269026,0.025021142485591334,8.81,8.779201497743784,8.74840299548757,8.717604493231354,8.68680599097514,8.656007488718924,8.62520898646271,8.594410484206493,8.56361198195028,8.532813479694063,8.502014977437849,3.55,3.55,3.55,3.55,3.55,3.55,3.55,3.55,3.55,3.55,3.55,3.88,3.910798502256215,3.9415970045124307,3.972395506768646,4.0031940090248606,4.033992511281077,4.064791013537292,4.095589515793507,4.126388018049722,4.157186520305937,4.187985022562152,zero
+275,6.76,92,4.0393149847680506e+17,4.83,1.5748464676644813,165.6,Linear,Acid,0,1.3514973404828188,1.1480330511675065,2.1,0.3146108282572204,0.1838889992131767,0.13147925115895237,0.10271143892347817,0.08444712329714159,0.0717869350469775,0.06252153893433911,0.05533535398327932,0.04966691479343009,0.04506546867861035,1.98,1.08730541412861,1.0219444996065883,0.995739625579476,0.9813557194617389,0.9722235616485707,0.9658934675234886,0.9612607694671694,0.9576676769916396,0.954833457396715,0.9525327343393051,3.75,4.64269458587139,4.708055500393412,4.734260374420525,4.748644280538262,4.75777643835143,4.764106532476512,4.768739230532831,4.772332323008361,4.775166542603285,4.777467265660695,third
+278,13.36,95,1.2015033829382835e+17,1.7,0.5306282510621704,29.5,Unknown,None,1,0.16947802731175998,0.099061290086663,4.96,3.5036667241964214,2.9370291960263413,2.6755412286854168,2.5455036820411947,2.4786447608618154,2.442649435605399,2.4240019222917253,2.413763285700112,2.4081601704703846,2.405409903283697,4.13,2.6736667241964214,2.107029196026341,1.845541228685417,1.7155036820411946,1.6486447608618156,1.6126494356053989,1.594001922291725,1.5837632857001114,1.5781601704703838,1.5754099032836963,3.9,5.356333275803578,5.922970803973659,6.184458771314582,6.314496317958805,6.381355239138184,6.4173505643946,6.435998077708274,6.446236714299888,6.451839829529616,6.454590096716304,second
+275,8.36,99,2.8789646114800598e+17,1.99,0.688134638736401,63.1,Linear,Enzyme,1,0.04509067755781044,0.037482525213433676,5.48,5.338039141319533,5.205153067289778,5.080757496812929,4.964303333908525,4.855295426333205,4.753264722765637,4.657766213995928,4.5683789329256275,4.4847059545677235,4.406374396046647,4.92,4.92,4.92,4.92,4.92,4.92,4.92,4.92,4.92,4.92,4.92,1.7,1.8419608586804674,1.9748469327102227,2.0992425031870723,2.215696666091476,2.324704573666796,2.4267352772343638,2.522233786004073,2.6116210670743736,2.6952940454322776,2.7736256039533544,first
+277,8.6,100,7.559043688048037e+16,2.56,0.9400072584914712,93.0,Ring,Acid,1,0.010483710628743533,0.00899019139749416,8.5,7.478616255135128,6.690734102585193,6.064033096723928,5.558987974066063,5.147335627061032,4.804022080016804,4.509649029298823,4.257985407525898,4.041553896771355,3.8539028161036533,2.29,2.29,2.29,2.29,2.29,2.29,2.29,2.29,2.29,2.29,2.29,2.83,3.340691872432436,3.7346329487074037,4.047983451638037,4.300506012966969,4.506332186469484,4.677988959991598,4.825175485350589,4.951007296237051,5.059223051614322,5.153048591948173,second
+271,13.66,100,1.715402039346931e+17,0.74,-0.3011050927839216,123.3,Unknown,None,1,0.009096930212158854,0.004886118959206783,8.24,6.102516301867276,5.11127480424903,4.518485284990076,4.12091752721261,3.830935180593293,3.6090499154623275,3.435876782166126,3.29573091633587,3.1796301880259232,3.082724455256824,3.64,2.571258150933638,2.075637402124515,1.7792426424950378,1.5804587636063046,1.4354675902966463,1.3245249577311635,1.2379383910830628,1.1678654581679349,1.1098150940129612,1.0613622276284118,4.84,5.908741849066362,6.404362597875486,6.700757357504963,6.899541236393696,7.044532409703355,7.155475042268837,7.242061608916938,7.312134541832066,7.370184905987039,7.418637772371588,third
+273,8.36,90,2.9808603561485926e+17,1.67,0.5128236264286637,75.9,Linear,Acid,0,1.792704447890342,1.5771491639584496,4.89,2.5300787832976632,2.5299995284129575,2.530002773590747,2.53000122598853,2.530000755251809,2.5299991356690597,2.5299982479362693,2.5300005426736494,2.5300012694645653,2.5300002729449607,1.18,3.9391648831714663e-05,-2.3579352135672013e-07,1.3867953735979634e-06,6.12994265168803e-07,3.7762590463383967e-07,-4.321654702322244e-07,-8.760318656008217e-07,2.713368245202266e-07,6.347322824317991e-07,1.364724802270783e-07,0.93,2.1099606083511677,2.1100002357935206,2.109998613204626,2.109999387005734,2.109999622374094,2.1100004321654695,2.1100008760318647,2.1099997286631744,2.1099993652677163,2.109999863527518,third
+271,1.2,98,4.001975012967264e+17,3.01,1.1019400787607843,23.8,Unknown,Acid,0,0.051559979361725856,0.03101167360991484,2.37,2.2742309876751023,2.182331904664393,2.0941463140073924,2.009523373409017,1.9283198554063672,1.8503982987558358,1.7756262007466226,1.7038760172007317,1.635025162472973,1.5689560094509618,1.51,1.51,1.51,1.51,1.51,1.51,1.51,1.51,1.51,1.51,1.51,0.55,0.55,0.55,0.55,0.55,0.55,0.55,0.55,0.55,0.55,0.55,first
+279,8.44,97,4.989299932231593e+17,4.1,1.410986973710262,67.9,Unknown,None,0,0.34431291552568727,0.2789912587033782,2.06,1.5639905334196358,1.187439412112747,0.9007417757888158,0.6837135035543477,0.5199824543482574,0.39501280715769194,0.29967397158993103,0.22763240645681337,0.17307438877723635,0.13140657601436964,1.29,1.29,1.29,1.29,1.29,1.29,1.29,1.29,1.29,1.29,1.29,0.31,0.31,0.31,0.31,0.31,0.31,0.31,0.31,0.31,0.31,0.31,first
+279,11.57,94,1.1369887914546782e+17,1.3,0.26236426446749106,158.4,Unknown,Enzyme,1,0.2859913950744491,0.15026601957272717,2.68,1.1641021219881746,1.1239455870537463,1.1211203778126475,1.1210773679025952,1.1208968703736795,1.1200494131030392,1.1206239588631617,1.1220759107895704,1.1218072675025625,1.1210661255629009,4.9,4.9,4.9,4.9,4.9,4.9,4.9,4.9,4.9,4.9,4.9,2.16,2.6652992926706083,2.678684804315418,2.6796265407291173,2.6796408773658014,2.679701043208773,2.6799835289656535,2.6797920137122793,2.6793080297368093,2.679397577499145,2.679644624812366,third
+273,8.16,99,6.340733894550354e+16,1.6,0.47000362924573563,198.8,Linear,Enzyme,1,0.007231415213469704,0.005656947094144705,1.62,1.565789175093038,1.518303235061694,1.476380856997347,1.4390756183711295,1.405745337424929,1.37587103809973,1.3489863439903957,1.3246774783456672,1.3025832640681636,1.2823951237143827,2.21,2.21,2.21,2.21,2.21,2.21,2.21,2.21,2.21,2.21,2.21,1.16,1.1780702749689873,1.1938989216461018,1.207873047667551,1.2203081272096234,1.2314182208583568,1.2413763206334232,1.2503378853365346,1.2584408405514442,1.2658055786439453,1.2725349587618724,third
+279,13.69,99,4.860026766620578e+17,3.22,1.169381359556317,29.8,Unknown,Base,1,0.14161099523873896,0.08740786857332035,8.99,6.7655542038433465,6.031752634252383,5.737112594797422,5.609282614937713,5.551510860813562,5.52535732372083,5.51350390908563,5.507849987278849,5.505385943276815,5.50429535295728,4.22,1.9955542038433465,1.2617526342523833,0.9671125947974218,0.8392826149377128,0.7815108608135619,0.75535732372083,0.7435039090856295,0.7378499872788495,0.7353859432768154,0.7342953529572803,3.05,5.2744457961566535,6.008247365747617,6.302887405202578,6.430717385062287,6.488489139186438,6.51464267627917,6.52649609091437,6.532150012721151,6.534614056723185,6.53570464704272,second
+271,9.12,95,3.606261025124773e+17,1.45,0.371563556432483,70.0,Ring,Enzyme,0,0.1759380005572078,0.09323755759664668,6.81,5.915884029960117,5.139169337920789,4.463490062363736,3.8752706230208585,3.3647895078354892,2.9227892797961093,2.5404186155695605,2.209232305501036,1.9211912536140914,1.6692462892846462,2.95,2.95,2.95,2.95,2.95,2.95,2.95,2.95,2.95,2.95,2.95,0.99,0.99,0.99,0.99,0.99,0.99,0.99,0.99,0.99,0.99,0.99,first
+274,13.71,94,2.1152329075618176e+17,4.56,1.5173226235262947,97.9,Branched,Enzyme,0,0.2539791025184867,0.16817057143945527,8.61,7.0268648976986245,5.734270901134987,4.678337064654149,3.81824574671346,3.117875806892205,2.5452253523156805,2.076516100102151,1.6945047714830246,1.383567005517635,1.1297252273055525,0.21,0.21,0.21,0.21,0.21,0.21,0.21,0.21,0.21,0.21,0.21,1.71,3.2931351023013757,4.585729098865014,5.641662935345852,6.50175425328654,7.202124193107796,7.774774647684319,8.24348389989785,8.625495228516975,8.936432994482365,9.190274772694448,first
+280,9.52,99,6.887793043166202e+16,1.58,0.4574248470388755,83.6,Linear,Base,1,0.02337420057733178,0.012897878032995592,7.49,5.406588199731847,4.694162601935983,4.332052050651468,4.117483586280187,3.978893408024215,3.8861670135254154,3.8216010627374466,3.775754113916355,3.74316722353574,3.7193646803988094,2.05,1.0082940998659233,0.6520813009679914,0.47102602532573357,0.36374179314009325,0.29444670401210715,0.24808350676270724,0.2158005313687229,0.1928770569581771,0.17658361176786938,0.16468234019940417,1.26,2.3017059001340767,2.6579186990320087,2.8389739746742664,2.946258206859907,3.0155532959878926,3.0619164932372924,3.0941994686312766,3.1171229430418226,3.1334163882321304,3.145317659800596,third
+276,3.87,98,4.0458540648482304e+17,0.52,-0.6539264674066639,63.4,Linear,Acid,0,0.11461937227706435,0.10312580779352011,2.06,1.630938138462142,1.4062961919719925,1.2593499867517346,1.1545559666938707,1.0758520621215715,1.0141005341377505,0.9632289899661889,0.9208245759844048,0.8848675025837103,0.8538103170648187,0.82,0.6054690692310709,0.4931480959859962,0.4196749933758672,0.36727798334693534,0.32792603106078566,0.29705026706887516,0.27161449498309437,0.25041228799220233,0.23243375129185506,0.21690515853240927,3.63,3.8445309307689293,3.956851904014004,4.030325006624133,4.082722016653064,4.122073968939214,4.152949732931124,4.178385505016906,4.199587712007798,4.217566248708145,4.233094841467591,third
+280,12.23,96,3.005714833230368e+17,3.38,1.2178757094949273,169.1,Branched,Acid,1,0.3700679906085195,0.20926903072837144,8.84,8.922057518355565,8.926728209207972,8.927028996111016,8.927008535931574,8.927016211756909,8.927120810978437,8.927103249208157,8.92715712093708,8.927027613695547,8.926874653184067,0.1,0.18205751835556555,0.18672820920797364,0.18702899611101595,0.18700853593157465,0.18701621175691005,0.18712081097843686,0.18710324920815732,0.18715712093707956,0.1870276136955478,0.1868746531840668,3.04,2.9579424816444346,2.9532717907920265,2.952971003888984,2.9529914640684254,2.9529837882430896,2.9528791890215627,2.9528967507918424,2.95284287906292,2.952972386304452,2.953125346815933,second
+272,1.91,99,3.1515699935886605e+17,1.56,0.44468582126144574,95.7,Branched,Base,1,0.030617353875387415,0.024520592591947377,3.0,3.030193830043541,3.057117247828361,3.0810937469274915,3.1024405582217143,3.121415838254545,3.1382497579222535,3.1531616959861184,3.166360239072429,3.1780431816724817,3.1883975261425848,0.82,0.8501938300435411,0.8771172478283605,0.9010937469274912,0.9224405582217143,0.9414158382545451,0.9582497579222534,0.9731616959861185,0.9863602390724286,0.9980431816724816,1.0083975261425844,4.7,4.66980616995646,4.64288275217164,4.61890625307251,4.597559441778286,4.5785841617454555,4.561750242077747,4.546838304013883,4.5336397609275725,4.521956818327519,4.511602473857416,second
+279,2.08,97,2.602157727631437e+17,3.75,1.3217558399823195,59.9,Unknown,Base,1,0.17957559698314982,0.14568023377713823,1.94,1.6087835986858727,1.4933405443499916,1.4491412446895202,1.4325456645114785,1.425325232886943,1.4231572276859887,1.4216717000867898,1.4214577349873816,1.421434500147205,1.4212388685956212,1.38,1.38,1.38,1.38,1.38,1.38,1.38,1.38,1.38,1.38,1.38,2.23,2.395608200657063,2.453329727825004,2.47542937765524,2.4837271677442607,2.4873373835565284,2.4884213861570057,2.489164149956605,2.4892711325063095,2.489282749926397,2.4893805657021892,second
+278,12.26,94,4.86606626339311e+16,4.57,1.5195132049061133,148.2,Unknown,Enzyme,0,0.10579559749783486,0.054278611730763045,3.42,2.1739603646574093,1.5921835981864618,1.2548836405998962,1.035671994731059,0.8821295082881307,0.7672954242642434,0.6797498853221053,0.610109442462571,0.5529975470291005,0.5056671863200535,1.37,1.37,1.37,1.37,1.37,1.37,1.37,1.37,1.37,1.37,1.37,2.78,3.403019817671295,3.693908200906769,3.8625581797000517,3.97216400263447,4.048935245855934,4.106352287867878,4.150125057338947,4.184945278768714,4.213501226485449,4.237166406839973,second
+280,3.84,92,4.401188483772416e+17,2.96,1.085189268335969,175.6,Ring,None,0,3.020924067421239,2.5512781609822213,8.27,0.26313135929397974,0.18601612852830202,0.1519664221998959,0.13152337893229932,0.11772223367013189,0.1073891817705951,0.09944526664893076,0.09307728534530907,0.0877341140554384,0.08321315196152756,1.12,1.12,1.12,1.12,1.12,1.12,1.12,1.12,1.12,1.12,1.12,3.75,6.418956213568675,6.444661290490567,6.456011192600036,6.462825540355901,6.467425922109958,6.470870272743136,6.473518244450358,6.475640904884899,6.477421961981522,6.478928949346159,third
+274,8.72,92,3.198666805138412e+17,3.05,1.1151415906193203,78.3,Linear,Enzyme,1,0.9240539085182022,0.7869098887082405,7.06,3.525137129684009,3.5262329702718143,3.524741547894622,3.524915119080909,3.5258585816012515,3.524802287312161,3.524885655579392,3.5261354843580333,3.524446955681378,3.5252709224647742,2.21,0.4425685648420047,0.4431164851359071,0.44237077394731117,0.4424575595404547,0.44292929080062576,0.4424011436560805,0.44244282778969607,0.44306774217901657,0.4422234778406889,0.4426354612323874,4.69,6.4574314351579964,6.456883514864094,6.45762922605269,6.457542440459547,6.457070709199375,6.45759885634392,6.457557172210305,6.456932257820985,6.457776522159311,6.457364538767614,third
+270,9.99,91,7.857415201878554e+16,3.87,1.3532545070416904,34.9,Linear,Acid,1,0.1948209077139779,0.12515411125042628,2.31,0.9982417671913841,0.813525323841829,0.750539006237591,0.7251073265443174,0.7137222399882909,0.7090250222070857,0.7065847369938899,0.7058015728952479,0.7052833911713564,0.7050388199902522,2.17,2.17,2.17,2.17,2.17,2.17,2.17,2.17,2.17,2.17,2.17,0.01,0.4472527442695387,0.5088248920527237,0.5298203312541363,0.5382975578185609,0.5420925866705698,0.5436583259309715,0.5444717543353701,0.5447328090349174,0.5449055362762146,0.5449870600032494,third
+271,12.91,93,2.8966780020049216e+17,4.02,1.3912819026309295,163.9,Branched,Acid,0,0.34333030261300623,0.27570279693802136,7.48,5.683422964605212,4.31845813848298,3.2783896394396272,2.490414495781831,1.8954883951874915,1.441112575061764,1.0941483537683605,0.8317426975202922,0.6328990194565102,0.4809113578939853,1.01,1.01,1.01,1.01,1.01,1.01,1.01,1.01,1.01,1.01,1.01,3.18,3.18,3.18,3.18,3.18,3.18,3.18,3.18,3.18,3.18,3.18,first
+272,1.42,97,3.108796370919683e+17,3.62,1.2864740258376797,196.4,Ring,Acid,1,0.07313496878204957,0.045947493747868405,5.49,5.198009133313616,5.1496058030617595,5.1407195598425846,5.139083138704158,5.138808018790607,5.138734630766888,5.13867738152631,5.138725745052363,5.138756873636371,5.138730486237346,0.26,0.11400456665680832,0.08980290153087982,0.0853597799212927,0.08454156935207928,0.08440400939530421,0.08436731538344439,0.08433869076315548,0.08436287252618228,0.08437843681818619,0.08436524311867404,3.37,3.515995433343192,3.5401970984691205,3.544640220078708,3.5454584306479213,3.5455959906046965,3.5456326846165562,3.5456613092368454,3.5456371274738188,3.5456215631818147,3.545634756881327,third
+280,1.58,90,1.7753398917620237e+17,0.89,-0.11653381625595151,172.5,Linear,Enzyme,0,2.8771956826519016,1.793118783872003,9.65,7.770000017359057,7.77000104453145,7.7699997925728,7.769999428409529,7.770001497768147,7.769999680806296,7.770000789692118,7.769999863427006,7.7700002639474075,7.7700014390383245,1.88,1.735905532203489e-08,1.0445314486400078e-06,-2.0742720198078242e-07,-5.715904746824287e-07,1.4977681457448247e-06,-3.191937063557694e-07,7.896921158227789e-07,-1.3657299592384928e-07,2.6394740513167073e-07,1.439038321669959e-06,4.66,6.539999982640944,6.53999895546855,6.540000207427201,6.540000571590472,6.539998502231853,6.540000319193704,6.539999210307882,6.540000136572995,6.539999736052593,6.539998560961676,second
+277,2.18,98,2.6809112070152186e+17,2.78,1.0224509277025455,175.6,Unknown,Base,0,0.08861140781317932,0.060379274915281805,8.32,7.750622107301748,7.220209753105578,6.72604595512828,6.26565089733748,5.8367884092950355,5.437335515493664,5.065281896947544,4.718729891192318,4.395894492285081,4.095103350804392,0.32,0.32,0.32,0.32,0.32,0.32,0.32,0.32,0.32,0.32,0.32,3.69,4.259377892698252,4.789790246894421,5.28395404487172,5.74434910266252,6.173211590704964,6.572664484506336,6.944718103052455,7.291270108807682,7.6141055077149185,7.914896649195608,first
+274,9.36,95,4.4838246956875264e+17,4.1,1.410986973710262,81.4,Ring,Base,0,0.3470916427717943,0.28234760306805584,4.72,1.9435710365937187,1.1902902587267437,0.8405299213868294,0.638215954478559,0.5076978950869933,0.41567508409460474,0.34838752778959947,0.29653960458886514,0.25559218941818185,0.22257171435598794,4.98,2.2035710365937193,1.4502902587267443,1.10052992138683,0.8982159544785597,0.7676978950869938,0.6756750840946053,0.6083875277896,0.5565396045888656,0.5155921894181824,0.48257171435598845,2.74,5.51642896340628,6.269709741273256,6.61947007861317,6.821784045521441,6.952302104913006,7.044324915905395,7.1116124722104,7.163460395411134,7.2044078105818175,7.237428285644011,second
+275,13.67,90,2.046857245399228e+17,4.8,1.5686159179138452,139.3,Ring,None,0,1.6424684679979273,0.8854130913875924,1.66,0.44674919570547433,0.1200840772845017,0.032350011503539784,0.008705954280008435,0.002340421052479523,0.0006306378985441073,0.00017002439399179086,4.5854341503111365e-05,1.2530474591992482e-05,3.4170768448406795e-06,1.44,1.44,1.44,1.44,1.44,1.44,1.44,1.44,1.44,1.44,1.44,1.51,1.51,1.51,1.51,1.51,1.51,1.51,1.51,1.51,1.51,1.51,first
+278,2.24,96,2.8819564168816115e+17,2.89,1.0612565021243408,184.5,Ring,Acid,0,0.2637391707926116,0.13377198121004116,8.85,6.506505130796081,6.041407051813218,5.918802985291335,5.884071086442871,5.874073044622427,5.871182158206644,5.87034356702088,5.870099866397668,5.8700291703958785,5.8700085096261505,2.98,0.6365051307960813,0.17140705181321853,0.04880298529133434,0.014071086442870636,0.00407304462242682,0.001182158206644139,0.0003435670208793559,9.986639766822945e-05,2.9170395878502445e-05,8.509626150557899e-06,1.38,3.7234948692039183,4.188592948186781,4.3111970147086645,4.345928913557128,4.355926955377573,4.358817841793355,4.359656432979119,4.3599001336023315,4.359970829604121,4.359991490373849,second
+276,7.92,99,3.462899676285551e+17,1.32,0.27763173659827955,72.0,Branched,None,0,0.06344902377554446,0.04234967449446087,3.73,3.6939412161974423,3.6643148318158447,3.6398446226710552,3.6196172283999974,3.6029459599071454,3.5891937925282176,3.577773140842173,3.5681980515025766,3.560221768335001,3.55357861710726,0.21,0.17394121619744218,0.14431483181584487,0.11984462267105496,0.09961722839999741,0.08294595990714534,0.06919379252821721,0.057773140842172874,0.048198051502576514,0.040221768335000616,0.03357861710725983,2.45,2.486058783802558,2.5156851681841554,2.540155377328945,2.5603827716000027,2.5770540400928548,2.5908062074717826,2.602226859157827,2.6118019484974235,2.6197782316649993,2.6264213828927403,second
+280,13.31,90,2.1354148497106086e+17,1.54,0.43178241642553783,76.8,Unknown,Acid,1,3.4607493555277467,2.7299810341892203,3.31,2.8659733772092375,2.8658559285729726,2.8660159042459488,2.866135974713234,2.8660149205492127,2.8660817537032206,2.8658473550946746,2.8659445502525505,2.865976993564783,2.86605099690156,0.58,0.1359733772092375,0.13585592857297266,0.13601590424594873,0.1361359747132339,0.1360149205492125,0.13608175370322032,0.13584735509467383,0.13594455025254962,0.1359769935647823,0.1360509969015588,0.05,0.49402662279076254,0.4941440714270274,0.49398409575405133,0.49386402528676615,0.49398507945078757,0.4939182462967798,0.4941526449053263,0.4940554497474505,0.49402300643521785,0.4939490030984413,second
+280,5.45,97,4.1876489608041197e+17,2.01,0.6981347220709843,133.4,Branched,Base,1,0.33554053508556636,0.24076598625890694,4.26,1.953100617149951,1.774035955938184,1.7524363360877593,1.7496324080884893,1.7493360055594174,1.749850837428937,1.748039795266916,1.7512588076209137,1.746946436811501,1.7526696013833252,0.63,0.63,0.63,0.63,0.63,0.63,0.63,0.63,0.63,0.63,0.63,3.01,4.163449691425024,4.252982022030907,4.26378183195612,4.265183795955754,4.265331997220291,4.265074581285531,4.265980102366542,4.264370596189543,4.26652678159425,4.263665199308337,second
+278,3.33,94,2.7931383865739706e+17,2.15,0.7654678421395714,96.3,Linear,Enzyme,1,0.6072702846748291,0.33757484881969624,3.26,1.200984539157768,1.1984467568846149,1.2001237478937998,1.1998362766354442,1.1986301409651954,1.1987660371379418,1.198036400995486,1.1983194356486147,1.1987027391876854,1.1995721116519587,3.32,2.2904922695788836,2.289223378442307,2.2900618739468994,2.2899181383177214,2.289315070482597,2.28938301856897,2.2890182004977424,2.2891597178243064,2.289351369593842,2.2897860558259784,4.89,5.919507730421115,5.920776621557692,5.9199381260531,5.920081861682277,5.920684929517401,5.920616981431027,5.920981799502255,5.92084028217569,5.920648630406155,5.920213944174018,third
+270,4.54,98,6.3210767025657816e+16,3.08,1.1249295969854831,165.7,Linear,None,0,0.006932128451115396,0.006106032124020527,4.8,4.794454297239107,4.788908594478215,4.7833628917173225,4.777817188956431,4.772271486195538,4.766725783434646,4.761180080673753,4.755634377912862,4.750088675151969,4.744542972391076,1.51,1.51,1.51,1.51,1.51,1.51,1.51,1.51,1.51,1.51,1.51,2.62,2.6255457027608924,2.631091405521785,2.6366371082826774,2.6421828110435697,2.647728513804462,2.6532742165653542,2.6588199193262465,2.664365622087139,2.669911324848031,2.6754570276089233,zero
+274,3.7,100,3.433657177994646e+17,3.57,1.2725655957915476,65.0,Unknown,Enzyme,0,0.029602689971405464,0.021464741116176404,3.37,2.9061282669211885,2.554303568001649,2.278104834132729,2.057296300737297,1.8761394733942405,1.7230606672349755,1.5929293081350773,1.4813548514284125,1.3845669440738722,1.299530828371585,1.22,1.22,1.22,1.22,1.22,1.22,1.22,1.22,1.22,1.22,1.22,0.43,0.6619358665394056,0.8378482159991756,0.9759475829336355,1.0863518496313516,1.1769302633028798,1.2534696663825122,1.3185353459324614,1.3743225742857936,1.422716527963064,1.4652345858142075,second
+280,10.35,98,4.0047321068269395e+17,2.59,0.9516578757114463,145.2,Branched,Enzyme,1,0.20882821203725757,0.11061956006459117,4.04,3.725518456632803,3.482006018226648,3.2927444157653993,3.1458011590103667,3.0331505526922857,2.9469699527661053,2.8796367424606317,2.8268054415496953,2.785963012972352,2.7543599837801653,4.05,4.05,4.05,4.05,4.05,4.05,4.05,4.05,4.05,4.05,4.05,3.6,3.9144815433671973,4.157993981773352,4.347255584234601,4.494198840989634,4.606849447307715,4.693030047233895,4.760363257539368,4.813194558450305,4.854036987027648,4.885640016219835,first
+274,6.16,91,3.194672057051776e+17,0.63,-0.4620354595965587,168.8,Linear,Acid,0,1.4315246991363664,0.7787721927789457,4.89,1.556546473686725,0.49526382074528275,0.15769604459125178,0.05024872229182749,0.016019507073791336,0.005104515365177788,0.0016251472038489852,0.0005173287749704811,0.0001646867060032541,5.271238083499533e-05,4.64,4.64,4.64,4.64,4.64,4.64,4.64,4.64,4.64,4.64,4.64,2.48,5.813453526313275,6.874736179254716,7.212303955408747,7.319751277708171,7.353980492926207,7.36489548463482,7.3683748527961495,7.369482671225028,7.369835313293995,7.369947287619164,first
+276,4.6,99,2.68522793108677e+17,3.55,1.2669476034873244,40.2,Linear,Enzyme,1,0.04920012324036828,0.04034634693775599,1.56,1.5807543943870714,1.5875564345792765,1.590625999137832,1.5919681810508013,1.5925778616712851,1.5930965417620073,1.5927287047799108,1.5926281611125006,1.5928328701368777,1.5928709462911983,4.18,4.18,4.18,4.18,4.18,4.18,4.18,4.18,4.18,4.18,4.18,4.94,4.933081868537643,4.930814521806908,4.929791333620723,4.9293439396497325,4.929140712776238,4.928967819412664,4.92909043174003,4.929123946295833,4.929055709954374,4.929043017902934,third
+277,3.39,99,1.2422768652702544e+17,2.61,0.959350221334602,23.2,Ring,Acid,0,0.026597822624165195,0.016668897502546343,2.76,2.5438867625461965,2.38163919475971,2.2537488205115417,2.150574304718434,2.065852661698541,1.994239766209802,1.9318402655446927,1.8775014051232033,1.8297760090778252,1.7874549147251126,0.78,0.6719433812730985,0.5908195973798551,0.5268744102557713,0.47528715235921715,0.43292633084927085,0.3971198831049013,0.3659201327723466,0.338750702561602,0.31488800453891297,0.2937274573625566,1.63,1.7380566187269015,1.8191804026201448,1.883125589744229,1.9347128476407829,1.9770736691507294,2.012880116895099,2.0440798672276537,2.0712492974383983,2.095111995461087,2.1162725426374434,third
+276,5.37,98,1.8447796640951066e+17,0.53,-0.6348782724359695,106.3,Linear,Acid,0,0.05226275681201731,0.04304422267138102,1.47,1.1829156642546714,1.0231499111444438,0.9104722965532124,0.8288816741332024,0.7653481135037481,0.7146025724413111,0.673274208054768,0.6384923676613725,0.6081967352623927,0.581801690029302,1.25,1.25,1.25,1.25,1.25,1.25,1.25,1.25,1.25,1.25,1.25,2.8,2.895694778581776,2.9489500296185187,2.9865092344822624,3.0137061086222654,3.034883962165417,3.0517991425195627,3.065575263981744,3.0771692107795423,3.087267754912536,3.096066103323566,third
+274,1.71,91,6.8670539910963464e+16,3.12,1.1378330018213911,122.1,Ring,None,0,0.3077110020372292,0.2364495670845775,4.11,1.36089170734126,0.8163910741424708,0.582987712510747,0.45296064519439505,0.370990407965716,0.3135705703540138,0.2719382004238192,0.23999925406679432,0.2146385473137505,0.19413068480952467,0.16,0.16,0.16,0.16,0.16,0.16,0.16,0.16,0.16,0.16,0.16,0.24,1.61455414632937,1.8868044629287648,2.0035061437446267,2.068519677402803,2.1095047960171422,2.1382147148229933,2.1590308997880907,2.175000372966603,2.187680726343125,2.197934657595238,second
+276,6.75,96,4.1882117166967565e+17,4.97,1.6034198401085373,166.4,Branched,None,1,0.2836625445600272,0.21429875568851092,3.37,2.7604224870628853,2.3507510407425842,2.0765050224572104,1.8916730428319128,1.7679612020491096,1.6850137992667618,1.62876297360246,1.5915847584585072,1.5665815287847398,1.5495808788787488,1.18,1.18,1.18,1.18,1.18,1.18,1.18,1.18,1.18,1.18,1.18,0.15,0.7595775129371147,1.169248959257416,1.4434949775427897,1.6283269571680874,1.752038797950891,1.8349862007332383,1.89123702639754,1.9284152415414928,1.9534184712152602,1.9704191211212512,first
+273,6.32,92,4.704675009099378e+17,0.51,-0.6733445532637656,30.1,Branched,Base,0,1.1722264511700777,0.6712996981460492,1.47,0.12059586238620021,0.01492039385232454,0.0019238105127856796,0.0002493205182142686,3.2576211073091223e-05,4.101629612920529e-06,4.3998663740250957e-07,4.536262282937714e-08,2.295713210397973e-07,6.581597497540457e-08,3.65,2.3005958623862,2.1949203938523243,2.181923810512785,2.180249320518214,2.180032576211073,2.1800041016296126,2.180000439986637,2.1800000453626223,2.180000229571321,2.1800000658159746,4.51,5.859404137613799,5.965079606147675,5.978076189487213,5.979750679481785,5.979967423788926,5.979995898370386,5.979999560013361,5.9799999546373765,5.9799997704286785,5.979999934184024,second
+280,4.78,96,2.1731594127463508e+16,2.94,1.0784095813505903,67.7,Ring,Enzyme,0,0.026756255392422136,0.016446816330876052,6.86,2.5901210340368537,1.8994021541589368,1.5719813942915788,1.3695307826992593,1.2307255447965197,1.125717708311036,1.0443304607173918,0.978896565862247,0.9238276656735215,0.8770131517828172,2.57,2.57,2.57,2.57,2.57,2.57,2.57,2.57,2.57,2.57,2.57,3.44,4.863292988654383,5.093532615280355,5.202672868569474,5.2701564057669135,5.31642481840116,5.351427430562988,5.378556513094202,5.400367811379251,5.41872411144216,5.434328949405728,third
+275,1.9,94,3.2985778333970234e+17,3.56,1.269760544863939,110.8,Ring,Enzyme,0,0.46018472558586476,0.25171985939241975,2.46,0.8784655276774042,0.5339715429488507,0.38381829753860136,0.2995865403872043,0.24547960605377755,0.2080774684789029,0.18060041067722843,0.15937312118172095,0.14270392641653126,0.12920045633321525,2.02,2.02,2.02,2.02,2.02,2.02,2.02,2.02,2.02,2.02,2.02,3.31,4.100767236161298,4.273014228525575,4.3480908512307,4.3902067298063985,4.417260196973111,4.4359612657605485,4.449699794661386,4.46031343940914,4.468648036791735,4.475399771833393,second
+279,6.32,99,4.304045352349818e+17,3.97,1.3787660946990992,21.9,Ring,None,0,0.12541086194937626,0.07189509345691805,8.17,6.284185759421256,5.4765884765924815,5.061360907009626,4.826628803543601,4.687795277164913,4.603109782624115,4.550456777686026,4.517452434141965,4.4965860305392455,4.48332390175708,3.71,1.8241857594212545,1.0165884765924809,0.6013609070096255,0.36662880354360017,0.22779527716491235,0.14310978262411408,0.09045677768602599,0.057452434141964125,0.036586030539245196,0.023323901757079716,0.16,2.0458142405787454,2.8534115234075186,3.2686390929903744,3.5033711964563996,3.642204722835087,3.7268902173758853,3.7795432223139733,3.812547565858035,3.833413969460754,3.8466760982429196,second
+274,11.69,97,8.730728828579043e+16,4.01,1.3887912413184778,39.2,Unknown,Enzyme,0,0.02809037368695343,0.0144631631883977,4.09,3.938400123464361,3.838242488272291,3.7693079869518056,3.7211200555771367,3.686344990625177,3.6611459774120507,3.6428109652527025,3.6292313381985606,3.6192075767038228,3.611789746359442,0.25,0.17420006173218053,0.12412124413614543,0.08965399347590258,0.06556002778856816,0.04817249531258828,0.03557298870602505,0.02640548262635105,0.01961566909927992,0.014603788351911102,0.01089487317972086,4.3,4.375799938267819,4.425878755863855,4.460346006524097,4.484439972211432,4.501827504687411,4.514427011293975,4.523594517373649,4.530384330900721,4.535396211648089,4.53910512682028,third
+273,5.59,98,3.686587523132229e+17,4.47,1.4973884086254774,108.0,Unknown,Enzyme,0,0.06532071177093603,0.0548325885385429,6.15,6.097743430583251,6.045486861166502,5.993230291749754,5.940973722333005,5.888717152916256,5.836460583499507,5.784204014082758,5.73194744466601,5.6796908752492605,5.627434305832512,1.55,1.55,1.55,1.55,1.55,1.55,1.55,1.55,1.55,1.55,1.55,4.3,4.352256569416749,4.404513138833498,4.456769708250246,4.509026277666996,4.561282847083744,4.613539416500493,4.665795985917242,4.7180525553339905,4.77030912475074,4.822565694167488,zero
+279,1.74,91,4.612507125121545e+17,4.16,1.425515074273172,36.3,Unknown,Base,1,4.228797745907384,2.865865894227708,6.74,1.5050048836440064,1.5075443119803944,1.5043977595031883,1.5060972539970687,1.5062424493918334,1.504480457122122,1.5069928099897911,1.50533142603151,1.5049512064184278,1.506906408839673,3.48,3.48,3.48,3.48,3.48,3.48,3.48,3.48,3.48,3.48,3.48,3.29,5.034998372118666,5.034151896006538,5.035200746832274,5.0346342486676505,5.034585850202729,5.035173180959301,5.034335730003413,5.0348895246561725,5.0350162645272,5.034364530386788,third
+272,5.82,94,4.503999046472097e+17,3.95,1.3737155789130306,20.5,Branched,Base,0,0.3992723672374311,0.20312581866988239,5.02,1.1971485481151414,0.6789718506592387,0.4740557485222044,0.3644771969273471,0.29563395996188213,0.24904097441197517,0.21477237647920364,0.1890147938311958,0.16882865186256374,0.15239254506361846,0.4,0.4,0.4,0.4,0.4,0.4,0.4,0.4,0.4,0.4,0.4,2.56,4.471425725942429,4.73051407467038,4.832972125738897,4.887761401536325,4.922183020019058,4.945479512794011,4.962613811760398,4.975492603084401,4.985585674068717,4.9938037274681895,second
+279,4.32,91,4.3987364901924864e+17,4.1,1.410986973710262,28.7,Unknown,Acid,0,4.032810454265992,2.2871602539151867,4.01,0.04684181789396767,0.0027896376317604783,0.00017373548090775158,1.0788896650497858e-05,8.64287018558404e-07,1.333146590939242e-07,3.8747602698572026e-07,-3.524338028341675e-07,-5.508251782112536e-07,4.306152174393344e-07,4.87,0.9068418178939677,0.8627896376317605,0.8601737354809078,0.8600107888966505,0.8600008642870187,0.8600001333146592,0.860000387476027,0.8599996475661973,0.8599994491748219,0.8600004306152176,2.09,6.053158182106032,6.09721036236824,6.099826264519092,6.09998921110335,6.099999135712982,6.099999866685341,6.099999612523973,6.100000352433804,6.100000550825178,6.099999569384783,second
+277,7.99,92,3.652326180198525e+17,1.83,0.6043159668533296,134.5,Ring,Enzyme,1,1.6340068485737251,1.327850411548244,3.64,2.905092859909389,2.8361550620764238,2.8294106510291677,2.8289437013481047,2.8295021646166107,2.827081521877826,2.8304940128411804,2.8301734018631026,2.8276959150902288,2.829840144486425,3.0,3.0,3.0,3.0,3.0,3.0,3.0,3.0,3.0,3.0,3.0,2.67,3.4049071400906112,3.4738449379235763,3.4805893489708324,3.4810562986518954,3.4804978353833893,3.482918478122174,3.4795059871588196,3.4798265981368974,3.4823040849097713,3.480159855513575,first
+280,8.72,93,4.2604084425844883e+17,3.75,1.3217558399823195,141.2,Ring,Enzyme,1,1.903101950805592,1.563906771461096,3.43,1.9817601598726708,1.8914258660566545,1.8859072803763348,1.8854154536321552,1.8838246653480262,1.8874769785808831,1.886835898524271,1.8861631255163356,1.8853874769041281,1.8857730439934852,4.69,4.69,4.69,4.69,4.69,4.69,4.69,4.69,4.69,4.69,4.69,0.75,2.1982398401273295,2.2885741339433454,2.2940927196236656,2.2945845463678447,2.296175334651974,2.292523021419117,2.2931641014757287,2.293836874483665,2.2946125230958723,2.294226956006515,first
+275,6.45,96,2.637327666272802e+17,1.5,0.4054651081081644,167.1,Branched,None,0,0.15341490044554712,0.1151866086681232,9.25,9.127268079643564,9.004536159287126,8.881804238930687,8.759072318574251,8.636340398217813,8.513608477861375,8.390876557504937,8.268144637148499,8.145412716792062,8.022680796435624,2.94,2.94,2.94,2.94,2.94,2.94,2.94,2.94,2.94,2.94,2.94,4.52,4.642731920356438,4.765463840712876,4.888195761069313,5.010927681425751,5.133659601782188,5.256391522138626,5.379123442495064,5.501855362851502,5.624587283207939,5.747319203564377,zero
+279,1.81,100,4.2699689459401e+17,2.91,1.0681530811834012,47.7,Linear,None,1,0.080845404183516,0.041924492774966085,3.54,3.472391411270082,3.4111077240092422,3.3555573100625975,3.305189573143247,3.2595229901211256,3.2181385664669198,3.1806435844370413,3.146671500450806,3.1158819450904343,3.0879607231010504,2.44,2.44,2.44,2.44,2.44,2.44,2.44,2.44,2.44,2.44,2.44,4.71,4.777608588729917,4.838892275990757,4.894442689937402,4.944810426856753,4.990477009878874,5.03186143353308,5.069356415562958,5.103328499549193,5.134118054909566,5.162039276898949,first
+271,5.76,96,3.148443857389422e+17,3.9,1.3609765531356006,122.2,Ring,Acid,0,0.0985470746216934,0.058999689476454585,2.31,2.2311623403026455,2.152324680605291,2.0734870209079364,1.9946493612105816,1.9158117015132268,1.836974041815872,1.7581363821185172,1.6792987224211626,1.6004610627238076,1.521623403026453,3.08,3.08,3.08,3.08,3.08,3.08,3.08,3.08,3.08,3.08,3.08,1.35,1.4288376596973549,1.5076753193947097,1.5865129790920645,1.665350638789419,1.7441882984867738,1.8230259581841286,1.9018636178814834,1.980701277578838,2.059538937276193,2.1383765969735475,zero
+279,1.45,96,4.547833158826649e+17,3.7,1.308332819650179,78.9,Ring,None,0,0.4829986524638771,0.3528295334342712,3.52,0.9481587382007515,0.5476351652703979,0.38521088370893497,0.2973636407580408,0.2417325941284792,0.20401905480736607,0.17617967800602344,0.1551284692119853,0.1386998231281718,0.1252922134167077,2.94,2.94,2.94,2.94,2.94,2.94,2.94,2.94,2.94,2.94,2.94,0.38,1.6659206308996246,1.8661824173648012,1.9473945581455328,1.9913181796209798,2.0191337029357608,2.037990472596317,2.0519101609969885,2.0624357653940075,2.0706500884359142,2.0773538932916464,second
+275,4.82,91,1.9082165558189853e+17,0.67,-0.40047756659712525,174.8,Branched,None,1,0.9887491882598105,0.49993510093383325,1.43,0.8637061801793089,0.862497787883315,0.86268602691437,0.8634027310135248,0.8621132830857744,0.8622880712742432,0.8633253176244122,0.8627409861472853,0.861939804257524,0.8631046095573831,0.77,0.77,0.77,0.77,0.77,0.77,0.77,0.77,0.77,0.77,0.77,1.08,1.2687646066068972,1.269167404038895,1.2691046576952099,1.268865756328825,1.2692955723047419,1.2692373095752523,1.2688915607918625,1.2690863379509048,1.2693533985808252,1.2689651301475386,third
+273,13.76,95,2.1718063486333482e+17,4.73,1.5539252025038417,86.4,Branched,Enzyme,1,0.14430295425154782,0.12026226958971072,9.95,8.791362206610126,8.456000319848576,8.349400561410679,8.314443943850442,8.302941741472907,8.299072866122167,8.297700970024696,8.297388354616732,8.297191485841024,8.297138507758335,2.06,0.9013622066101268,0.5660003198485771,0.45940056141067975,0.42444394385044454,0.41294174147290924,0.40907286612216914,0.4077009700246999,0.4073883546167345,0.4071914858410272,0.4071385077583375,2.4,3.5586377933898734,3.8939996801514227,4.00059943858932,4.035556056149556,4.047058258527091,4.050927133877831,4.0522990299753,4.052611645383266,4.052808514158973,4.052861492241663,second
+271,8.23,100,3.2423563311233504e+17,2.78,1.0224509277025455,51.6,Ring,Enzyme,1,0.017194505189238173,0.014021080839133374,2.99,2.9651107572775532,2.9408353642911202,2.917158681636672,2.8940659302365708,2.871542707138038,2.849574992721937,2.8281490928172692,2.807251637243289,2.786869579809508,2.76699019831569,4.7,4.7,4.7,4.7,4.7,4.7,4.7,4.7,4.7,4.7,4.7,1.42,1.4448892427224467,1.4691646357088797,1.492841318363328,1.5159340697634291,1.5384572928619615,1.5604250072780625,1.581850907182731,1.6027483627567107,1.623130420190492,1.6430098016843102,first
+271,3.79,99,2.0101258188899428e+16,2.28,0.8241754429663494,84.9,Unknown,None,0,0.0016615250503688912,0.0014388231733837083,2.45,2.3918101279348436,2.3367311540910918,2.2845028835646355,2.234892991495654,2.1877017850636227,2.142747083011858,2.0998621622958114,2.058895758083069,2.0197120637533503,1.9821907308985112,3.75,3.720905063967422,3.693365577045546,3.6672514417823177,3.6424464957478273,3.6188508925318112,3.596373541505929,3.5749310811479056,3.5544478790415344,3.5348560318766755,3.5160953654492557,0.51,0.5390949360325782,0.5666344229544543,0.5927485582176824,0.617553504252173,0.6411491074681888,0.6636264584940711,0.6850689188520943,0.7055521209584656,0.7251439681233247,0.7439046345507444,third
+270,3.17,94,2.3252239634450506e+17,4.57,1.5195132049061133,89.8,Unknown,None,0,0.15150075566303983,0.1115892966906844,1.85,1.7287993954695682,1.6075987909391365,1.4863981864087044,1.3651975818782724,1.2439969773478405,1.1227963728174086,1.001595768286977,0.8803951637565453,0.7591945592261135,0.637993954695682,2.92,2.92,2.92,2.92,2.92,2.92,2.92,2.92,2.92,2.92,2.92,1.74,1.861200604530432,1.9824012090608636,2.1036018135912955,2.2248024181217274,2.3460030226521593,2.4672036271825912,2.5884042317130227,2.7096048362434546,2.8308054407738865,2.952006045304318,zero
+279,13.47,97,3.3945778188686854e+17,1.25,0.22314355131420976,84.2,Unknown,None,1,0.23426071827089592,0.16172999899617255,7.45,5.067800393777967,4.554398676608398,4.409272373591008,4.3654769397785484,4.35163199120378,4.347303418897229,4.346278078890882,4.345533842807936,4.345601779724574,4.345639766287989,4.3,1.9178003937779673,1.4043986766083987,1.2592723735910096,1.2154769397785492,1.2016319912037807,1.1973034188972296,1.1962780788908822,1.1955338428079367,1.195601779724575,1.1956397662879896,4.42,6.8021996062220325,7.3156013233916015,7.460727626408991,7.504523060221451,7.5183680087962195,7.52269658110277,7.523721921109117,7.524466157192063,7.524398220275425,7.52436023371201,second
+274,8.99,92,1.598427177856604e+17,4.35,1.4701758451005926,118.7,Unknown,Enzyme,1,0.4617651575360632,0.3497496633141684,8.8,1.5363541401988152,1.5351957809252572,1.5357484298213264,1.536681068662553,1.534894231457068,1.5377167649435428,1.5346436258139904,1.5372389710847392,1.5351141936355843,1.5360342095493018,2.92,2.92,2.92,2.92,2.92,2.92,2.92,2.92,2.92,2.92,2.92,2.36,4.7812152866003945,4.781601406358247,4.781417190059557,4.781106310445815,4.781701922847644,4.780761078352152,4.781785458062003,4.780920342971754,4.781628602121472,4.781321930150233,third
+276,6.54,96,4.3172643666793856e+17,0.73,-0.31471074483970024,176.9,Unknown,None,0,0.2924031253979891,0.21029569965674227,6.28,0.8385921242063822,0.5953757922311469,0.4870787503653801,0.42182268871086526,0.37775137075253973,0.34469265236858776,0.31922311208780685,0.2988384435116835,0.28173744803443723,0.2672442135034736,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,0.53,2.3438026252645385,2.4248747359229506,2.460973749878206,2.482725770429711,2.4974162097491526,2.5084357825438035,2.5169256293040636,2.5237205188294385,2.529420850655187,2.534251928832175,third
+276,5.73,95,3.067046560152804e+17,2.59,0.9516578757114463,191.0,Ring,Acid,0,0.3211859308791865,0.19111045166709137,7.14,6.180039947619699,6.179998162144536,6.179998744494771,6.180001348214658,6.179998721214383,6.179999567729645,6.180002561013104,6.179999953528988,6.180003022689162,6.180001351656635,0.48,1.99738098496527e-05,-9.189277312229849e-07,-6.277526139818188e-07,6.741073299796496e-07,-6.393928078196908e-07,-2.1613517633486648e-07,1.2805065531296513e-06,-2.3235505685096647e-08,1.51134458145201e-06,6.758283183811318e-07,2.56,3.0399800261901504,3.0400009189277317,3.0400006277526144,3.039999325892671,3.0400006393928085,3.0400002161351773,3.0399987194934477,3.040000023235506,3.039998488655419,3.0399993241716823,third
+279,3.65,94,2.959769741692332e+17,4.62,1.5303947050936475,153.7,Unknown,Acid,1,0.7444828690375644,0.4229982765638945,2.62,1.007380850371716,1.004974993056701,1.0058764380813185,1.0043678956005189,1.0055229859846266,1.006284105647468,1.0050247391186817,1.0048362461642024,1.0056254908027351,1.0057158275596692,2.07,2.07,2.07,2.07,2.07,2.07,2.07,2.07,2.07,2.07,2.07,1.25,1.7875397165427613,1.7883416689810996,1.788041187306227,1.788544034799827,1.7881590046717908,1.7879052981175105,1.7883250869604392,1.7883879179452655,1.7881248363990883,1.7880947241467766,third
+272,6.85,95,4.602444911305632e+17,2.31,0.8372475245337022,130.3,Linear,Acid,0,0.2621884222503906,0.20275862731870775,9.03,0.8885645679076535,0.6299939015742094,0.5146648113167201,0.44623639475151533,0.3989232659427824,0.3644589950666985,0.3374599594729819,0.3155889397881176,0.2975396055634001,0.2822626467759294,0.06,0.06,0.06,0.06,0.06,0.06,0.06,0.06,0.06,0.06,0.06,0.52,3.233811810697449,3.3200020328085973,3.3584450628944267,3.381254535082828,3.3970255780190723,3.4085136683111004,3.4175133468423393,3.4248036867372944,3.4308201314788667,3.43591245107469,third
+279,5.91,96,1.9698977752146557e+17,2.57,0.9439058989071284,68.2,Ring,Enzyme,1,0.20921127440078438,0.1866651223442675,2.4,1.5047698322892382,1.3859723925714647,1.3626305862971153,1.3576989591900228,1.3569368611111825,1.3564713572172105,1.35651001428617,1.355898025982189,1.3573656931518656,1.35674201792039,1.73,1.2823849161446192,1.2229861962857325,1.2113152931485578,1.2088494795950115,1.2084684305555915,1.2082356786086055,1.208255007143085,1.2079490129910948,1.2086828465759332,1.2083710089601953,1.97,2.417615083855381,2.477013803714268,2.4886847068514424,2.4911505204049886,2.491531569444409,2.4917643213913947,2.491744992856915,2.4920509870089056,2.4913171534240672,2.4916289910398053,third
+279,10.1,99,4.628692358957614e+16,2.43,0.8878912573524571,109.0,Unknown,Base,0,0.013487039538708511,0.010264269221883948,6.65,3.3923862361544543,2.570622600188948,2.153098344679453,1.8881056172828978,1.7031963705493798,1.5635275987548265,1.4524132031437245,1.3628056252717293,1.2885498536288122,1.2247457457489213,0.98,0.98,0.98,0.98,0.98,0.98,0.98,0.98,0.98,0.98,0.98,4.89,5.975871254615182,6.249792466603683,6.388967218440182,6.477298127572367,6.538934543150207,6.585490800415058,6.622528932285425,6.652398124909423,6.677150048790396,6.698418084750359,third
+272,5.9,99,3.867256634435285e+17,4.98,1.6054298910365616,145.0,Branched,None,0,0.03757021584299897,0.027718231199698344,3.0,2.9111730648741827,2.824976207949648,2.741331552955799,2.6601633649966168,2.5813984264983114,2.5049657717351033,2.4307963779433894,2.358823165321742,2.288980997030908,2.2212066791938105,2.32,2.32,2.32,2.32,2.32,2.32,2.32,2.32,2.32,2.32,2.32,2.36,2.36,2.36,2.36,2.36,2.36,2.36,2.36,2.36,2.36,2.36,first
+273,3.35,91,6.921605449654378e+16,4.4,1.4816045409242156,141.1,Linear,Enzyme,0,0.2679361522769641,0.17921337429670087,7.18,5.794730569374056,4.676455048116813,3.7723822045207713,3.0441698035936993,2.4585382670275524,1.985522458978762,1.6019609907146357,1.2926410391556695,1.043689499648016,0.8427632888122432,2.74,2.74,2.74,2.74,2.74,2.74,2.74,2.74,2.74,2.74,2.74,3.0,4.385269430625944,5.503544951883187,6.407617795479228,7.1358301964063005,7.721461732972447,8.194477541021238,8.578039009285364,8.887358960844331,9.136310500351984,9.337236711187757,first
+278,1.42,98,2.8236388109329437e+17,0.97,-0.030459207484708574,61.5,Linear,Enzyme,0,0.10876621630995342,0.060013599637793354,6.06,2.959640692600611,1.9547017457681775,1.4604905366984062,1.165759337160999,0.9693856127761392,0.8298289345142106,0.7260646067194299,0.6445594615361518,0.5796298956901281,0.5266011324972192,1.5,1.5,1.5,1.5,1.5,1.5,1.5,1.5,1.5,1.5,1.5,3.53,5.080179653699695,5.5826491271159115,5.829754731650797,5.977120331419501,6.0753071936119305,6.145085532742895,6.196967696640285,6.237720269231924,6.270185052154936,6.296699433751391,second
+279,8.97,90,3.739930722929872e+16,3.3,1.1939224684724346,84.2,Unknown,Base,0,0.5276805852269808,0.4174704180120124,7.7,1.0291819168073353,0.5521263632932354,0.37708800130035247,0.2860540545240221,0.2307239570690243,0.19309699223141988,0.16628743564093457,0.14580951937758502,0.1298474097130518,0.1170447202628637,1.38,1.38,1.38,1.38,1.38,1.38,1.38,1.38,1.38,1.38,1.38,3.38,6.715409041596333,6.953936818353382,7.041455999349824,7.086972972737989,7.114638021465487,7.13345150388429,7.146856282179533,7.157095240311207,7.165076295143474,7.171477639868568,second
+280,13.77,96,3.8120689992723206e+17,3.56,1.269760544863939,37.2,Branched,Enzyme,1,0.4693474906618378,0.3880917438930641,7.6,2.2338662164207106,2.1618258560249464,2.159842418692771,2.1602531038503954,2.161727144524799,2.1610693844672655,2.160208565076885,2.159599683083779,2.159064721106295,2.1604383167064714,1.29,1.29,1.29,1.29,1.29,1.29,1.29,1.29,1.29,1.29,1.29,2.92,5.603066891789644,5.639087071987526,5.640078790653614,5.639873448074802,5.6391364277376,5.639465307766367,5.639895717461557,5.64020015845811,5.640467639446852,5.639780841646764,second
+273,8.06,93,4.9652497221345805e+17,3.03,1.1085626195212777,69.1,Unknown,None,1,0.7963067481615561,0.5285726806048612,7.64,5.637227222422013,5.619175362573506,5.619038581291905,5.61929890557302,5.618981429249669,5.619607818330176,5.619455561798198,5.619053486256172,5.619438008273701,5.619546100296321,2.75,0.7472272224220124,0.7291753625735049,0.7290385812919049,0.7292989055730201,0.72898142924967,0.729607818330177,0.7294555617981988,0.7290534862561732,0.7294380082737025,0.729546100296323,4.15,6.1527727775779875,6.170824637426494,6.170961418708095,6.17070109442698,6.171018570750331,6.170392181669824,6.170544438201802,6.170946513743828,6.170561991726299,6.170453899703679,second
+271,2.05,94,3.813550069295194e+17,4.06,1.4011829736136412,45.5,Ring,Acid,0,0.28999242737829317,0.16879487116639755,7.27,0.8437403214276467,0.5984599523864337,0.4891458973323525,0.4241780908267926,0.3792248336738069,0.3463715727138545,0.3208532711204395,0.30006233795979015,0.2828770339615475,0.2683392765796536,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,2.34,4.4820865595241175,4.563846682537855,4.600284700889216,4.621940636391069,4.636925055442065,4.647876142428715,4.656382242959854,4.6633125540134035,4.669040988679484,4.673886907806782,third
+279,6.19,95,3.8835230911862906e+17,1.68,0.5187937934151675,31.8,Ring,Base,1,0.6347387040923816,0.4717971056209295,3.51,2.7353182139812926,2.732241828433982,2.7317749539174243,2.732471189924164,2.732231402169401,2.7328074919362537,2.732340260387122,2.731825461427361,2.732466530572715,2.73225852174097,0.57,0.18265910699064625,0.18112091421699103,0.18088747695871216,0.18123559496208183,0.18111570108470032,0.18140374596812667,0.18117013019356076,0.1809127307136801,0.18123326528635716,0.1811292608704845,1.43,1.8173408930093535,1.8188790857830088,1.8191125230412877,1.818764405037918,1.8188842989152993,1.818596254031873,1.818829869806439,1.8190872692863194,1.8187667347136423,1.818870739129515,third
+280,10.94,92,4.4898880518000826e+17,2.26,0.8153648132841944,178.9,Ring,None,0,3.0818064088189363,2.177078937548052,4.31,3.9700012507205473,3.9699983442754867,3.9700005881188734,3.970001788005872,3.970000670091246,3.9699976937285166,3.970001575964161,3.970003137308838,3.970000378194715,3.9700008225925894,0.17,6.253602738320161e-07,-8.278622565671189e-07,2.9405943693330526e-07,8.94002936164806e-07,3.350456230501943e-07,-1.1531357417576853e-06,7.879820809968463e-07,1.5686544190944038e-06,1.8909735777100694e-07,4.112962949235068e-07,0.24,0.4099993746397262,0.41000082786225656,0.4099997059405631,0.4099991059970638,0.40999966495437684,0.41000115313574165,0.4099992120179188,0.4099984313455808,0.4099998109026421,0.40999958870370506,third
+280,7.78,95,4.0807425421181734e+17,1.07,0.06765864847381486,191.4,Unknown,Base,1,0.7720260709014825,0.42949180040099555,4.5,1.257829953865246,1.20449655448321,1.2025748191449643,1.2025095241223926,1.2041663542454195,1.203459534678473,1.2030374891819313,1.2033159601842867,1.2038269156861572,1.2029373833006272,0.52,0.52,0.52,0.52,0.52,0.52,0.52,0.52,0.52,0.52,0.52,0.95,2.5710850230673765,2.5977517227583946,2.5987125904275175,2.598745237938803,2.5979168228772895,2.5982702326607625,2.5984812554090335,2.5983420199078555,2.5980865421569206,2.5985313083496853,second
+272,8.56,93,3.1733680258750074e+17,2.05,0.7178397931503168,181.6,Linear,None,1,0.43776139525164076,0.3082565661951237,4.73,1.833928513804981,1.7181716132095601,1.7100368148634328,1.709280196410427,1.7082322911807621,1.7117317941084875,1.709799126151741,1.709005591610489,1.7085710795527296,1.7106061900114853,1.22,1.22,1.22,1.22,1.22,1.22,1.22,1.22,1.22,1.22,1.22,2.64,4.08803574309751,4.14591419339522,4.149981592568284,4.150359901794786,4.150883854409619,4.149134102945756,4.150100436924129,4.150497204194755,4.150714460223635,4.149696904994257,second
+272,3.12,96,4.203098597181493e+16,4.0,1.3862943611198906,36.4,Linear,None,0,0.015386804490233184,0.00814857041149222,2.29,1.9438015473491024,1.720634356678171,1.558163612947315,1.4355042893389554,1.3384489634329433,1.2576793123895846,1.1899819664860742,1.1325101055260964,1.0828494817850862,1.0390396885085205,0.63,0.63,0.63,0.63,0.63,0.63,0.63,0.63,0.63,0.63,0.63,3.54,3.6553994842169657,3.7297885477739428,3.7839454623508946,3.8248319035536813,3.8571836788556855,3.8841068958701386,3.906672677837975,3.9258299648246346,3.942383506071638,3.95698677049716,third
+280,10.61,90,5.237634070184967e+16,1.14,0.131028262406404,190.4,Unknown,Acid,0,0.8488345360780482,0.6490789335179867,1.88,0.47983119195554114,0.34497682913574856,0.28324609851813165,0.2461935066536759,0.2204138294308935,0.20149512635152048,0.18678768056267067,0.17477233118882154,0.1648246575761591,0.15640127931428524,1.9,1.9,1.9,1.9,1.9,1.9,1.9,1.9,1.9,1.9,1.9,1.52,1.9867229360148195,2.031674390288084,2.052251300493956,2.0646021644487744,2.073195390189702,2.079501624549493,2.0844041064791097,2.0884092229370594,2.0917251141412803,2.094532906895238,third
+270,9.23,92,3.512926804314678e+17,4.67,1.541159071680806,21.4,Ring,None,1,0.5578999772333921,0.28444781371787187,5.73,1.040141805023089,1.0319864309308922,1.0323625432793708,1.0330490661806044,1.0314485111315428,1.0320419272840142,1.0326027475675603,1.0311597515553024,1.0322225492595969,1.0332412717069872,1.72,1.72,1.72,1.72,1.72,1.72,1.72,1.72,1.72,1.72,1.72,0.59,2.153286064992304,2.1560045230230362,2.15587915224021,2.1556503112731322,2.1561838296228197,2.1559860242386626,2.1557990841441472,2.1562800828149,2.1559258169134683,2.155586242764338,third
+272,11.2,93,3.272232316323996e+17,0.9,-0.10536051565782628,188.8,Linear,Base,0,0.4513995769483822,0.3498352060797638,6.12,0.6766810362290724,0.4799837039366198,0.39214565623556175,0.3400155727915266,0.30398618520762577,0.2777428843204924,0.2571521227810415,0.2404906931810737,0.2267454390820245,0.2151091340918901,0.09,0.09,0.09,0.09,0.09,0.09,0.09,0.09,0.09,0.09,0.09,3.49,5.30443965459031,5.370005432021127,5.3992847812548135,5.416661475736158,5.428671271597459,5.437419038559836,5.444282625739653,5.44983643560631,5.454418186972659,5.458296955302704,third
+273,4.09,100,8.371180897029165e+16,3.71,1.3110318766193438,72.6,Branched,Enzyme,0,0.006145085219966502,0.005510485038723598,5.61,5.582488537052108,5.555111990430362,5.527869698510013,5.500761002900505,5.4737852484331535,5.4469417831676195,5.420229958381719,5.393649128508629,5.367198651135075,5.34087788700132,2.17,2.17,2.17,2.17,2.17,2.17,2.17,2.17,2.17,2.17,2.17,3.6,3.6,3.6,3.6,3.6,3.6,3.6,3.6,3.6,3.6,3.6,first
+275,12.78,93,3.755981403635329e+17,0.93,-0.07257069283483537,162.9,Branched,Enzyme,1,0.8114838899719318,0.49390075918047227,3.0,2.0665380988096747,1.7377891817101763,1.621898673137094,1.5808411736067605,1.5666979290370888,1.5617185928331898,1.5597628674719581,1.5592120580701307,1.5591413264123013,1.5589408904725082,2.63,2.63,2.63,2.63,2.63,2.63,2.63,2.63,2.63,2.63,2.63,1.12,2.0534619011903255,2.382210818289824,2.498101326862906,2.5391588263932396,2.5533020709629115,2.5582814071668105,2.560237132528042,2.5607879419298696,2.560858673587699,2.561059109527492,first
+273,1.16,90,3.055137871272325e+17,2.78,1.0224509277025455,162.6,Linear,None,0,1.8373753199980858,1.5634454107706788,9.2,0.3371402763625664,0.23846971012647805,0.19470046503597263,0.16876340366089446,0.15082862667973135,0.13775855338844414,0.12756682382732495,0.1192883305087197,0.11245210328351403,0.10666891809062858,4.43,4.43,4.43,4.43,4.43,4.43,4.43,4.43,4.43,4.43,4.43,4.86,7.81428657454581,7.8471767632911735,7.861766511654675,7.870412198779702,7.8763904577734225,7.880747148870519,7.884144392057558,7.8869038898304265,7.889182632238828,7.891110360636457,third
+274,10.45,97,3.369052441046762e+17,2.65,0.9745596399981308,139.1,Unknown,Acid,0,0.10839638236175622,0.05486576003726605,1.32,0.9213332442995765,0.6615378168459026,0.48372785649834027,0.3591015372059296,0.26842773240079976,0.20216268059296794,0.15318068664047146,0.11628803376524394,0.08857205641336903,0.06763628188701146,4.36,3.9613332442995763,3.7015378168459026,3.5237278564983403,3.3991015372059294,3.3084277324007996,3.2421626805929677,3.1931806866404715,3.156288033765244,3.128572056413369,3.1076362818870114,2.48,2.8786667557004235,3.1384621831540973,3.3162721435016596,3.4408984627940704,3.5315722675992003,3.597837319407032,3.6468193133595284,3.683711966234756,3.7114279435866306,3.7323637181129885,second
+275,4.01,99,1.2414678416303147e+17,4.94,1.5973653311998313,178.0,Unknown,Acid,0,0.01944401328245751,0.011126013781933102,2.77,2.754444789374034,2.7388895787480676,2.7233343681221016,2.7077791574961356,2.6922239468701696,2.6766687362442037,2.6611135256182377,2.6455583149922717,2.6300031043663057,2.6144478937403397,3.12,3.12,3.12,3.12,3.12,3.12,3.12,3.12,3.12,3.12,3.12,3.33,3.345555210625966,3.3611104212519325,3.3766656318778985,3.3922208425038645,3.4077760531298305,3.4233312637557964,3.4388864743817624,3.4544416850077284,3.4699968956336944,3.4855521062596604,zero
+280,9.89,97,1.0982965841888189e+17,0.7,-0.35667494393873245,63.2,Ring,Acid,1,0.08800236767472545,0.06061885482522003,3.26,2.525226014437191,2.254332175591446,2.124439631687252,2.0544632806519143,2.0155012518198085,1.992355361125225,1.9790496728990203,1.971040829436093,1.9661490103278616,1.963283964056399,0.99,0.6226130072185954,0.487166087795723,0.42221981584362617,0.38723164032595725,0.36775062590990426,0.3561776805626125,0.34952483644951016,0.3455204147180465,0.34307450516393084,0.3416419820281995,1.24,1.6073869927814044,1.7428339122042769,1.8077801841563739,1.8427683596740427,1.8622493740900956,1.8738223194373875,1.8804751635504897,1.8844795852819534,1.8869254948360692,1.8883580179718005,third
+276,5.5,99,4.7065328810731117e+17,2.2,0.7884573603642703,167.8,Linear,Enzyme,0,0.08623550913606225,0.07072119063705111,9.12,9.051011592691149,8.9820231853823,8.913034778073449,8.844046370764598,8.77505796345575,8.706069556146899,8.63708114883805,8.568092741529199,8.49910433422035,8.4301159269115,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.4,1.4689884073088497,1.5379768146176995,1.6069652219265493,1.6759536292353991,1.744942036544249,1.8139304438530988,1.8829188511619486,1.9519072584707986,2.0208956657796486,2.0898840730884984,zero
+274,8.98,98,6.1992112032277544e+16,2.62,0.9631743177730056,75.7,Linear,None,0,0.012858763013600838,0.011346895827181503,5.52,5.509712989589119,5.499425979178238,5.4891389687673575,5.4788519583564765,5.4685649479455956,5.4582779375347155,5.4479909271238345,5.4377039167129535,5.427416906302073,5.417129895891192,4.07,4.07,4.07,4.07,4.07,4.07,4.07,4.07,4.07,4.07,4.07,1.44,1.4502870104108807,1.4605740208217612,1.470861031232642,1.4811480416435225,1.4914350520544033,1.501722062465284,1.5120090728761646,1.5222960832870454,1.532583093697926,1.5428701041088067,zero
+278,7.84,90,4.490800209822942e+17,0.87,-0.13926206733350766,102.9,Linear,Acid,1,5.510842640811185,3.188109874923115,3.95,2.0032254785837127,2.000725868045471,2.0016789809207642,2.000588024997959,2.0007152769811305,2.0000349734686163,1.9992098266472011,2.000961719687493,2.0018087756667615,2.001781495789234,4.17,4.17,4.17,4.17,4.17,4.17,4.17,4.17,4.17,4.17,4.17,1.51,3.456774521416288,3.4592741319545297,3.4583210190792366,3.459411975002042,3.4592847230188704,3.4599650265313846,3.4607901733528,3.459038280312508,3.4581912243332393,3.458218504210767,first
+271,7.99,98,2.963494937830227e+17,3.2,1.1631508098056809,61.6,Ring,Enzyme,1,0.03818058267180776,0.019199741411230112,9.18,2.36393909174896,1.8206937404936299,1.6159667557690975,1.51862644123217,1.4689788944342934,1.4408418479205192,1.4259575618945741,1.417297561906289,1.4122077575069654,1.4094474484496058,2.69,2.69,2.69,2.69,2.69,2.69,2.69,2.69,2.69,2.69,2.69,2.93,5.202020302750347,5.383102086502124,5.451344414743635,5.483791186255943,5.500340368521902,5.509719384026494,5.514680812701809,5.517567479364571,5.519264080831012,5.520184183850131,third
+271,6.64,99,8.259074312029251e+16,4.39,1.47932922708708,175.9,Unknown,Acid,1,0.006826766132416983,0.003922219344888404,8.99,6.383457932098444,5.194021745396725,4.4837269274661375,4.006686296212234,3.6542747867798293,3.384180153752731,3.1710244301089463,2.995748323882232,2.8494441022073786,2.725774578098708,5.0,3.6967289660492217,3.1020108726983624,2.7468634637330687,2.5083431481061167,2.3321373933899148,2.1970900768763655,2.0905122150544733,2.0028741619411163,1.9297220511036894,1.8678872890493539,2.84,4.143271033950779,4.7379891273016375,5.093136536266931,5.331656851893883,5.507862606610085,5.642909923123634,5.749487784945527,5.837125838058884,5.910277948896311,5.972112710950646,third
+274,5.11,99,2.099262847908408e+17,2.94,1.0784095813505903,94.5,Ring,Base,1,0.028072773515984806,0.019046442998785832,9.88,6.951148990135023,5.443030174860893,4.531718963745085,3.932021911330911,3.522535836568001,3.2269565988807862,3.007961173426742,2.845454523186966,2.7212696330079096,2.624365388230093,3.93,3.93,3.93,3.93,3.93,3.93,3.93,3.93,3.93,3.93,3.93,3.73,5.194425504932489,5.948484912569553,6.404140518127457,6.703989044334544,6.908732081715999,7.056521700559606,7.166019413286628,7.247272738406516,7.309365183496044,7.357817305884953,second
+279,6.86,92,5.41058468453807e+16,2.82,1.0367368849500223,187.8,Ring,Acid,0,0.322326764887188,0.20647177381975815,5.93,4.946414606905738,4.707788483911462,4.639384074926102,4.618914942747585,4.612715398527755,4.61082867613313,4.610253064686462,4.610077373470043,4.610023726902865,4.610007267855867,1.32,0.3364146069057382,0.09778848391146136,0.02938407492610181,0.00891494274758421,0.002715398527754496,0.0008286761331284451,0.0002530646864605287,7.737347004162275e-05,2.3726902863955538e-05,7.267855864994957e-06,3.23,4.213585393094262,4.452211516088538,4.520615925073898,4.541085057252415,4.547284601472245,4.5491713238668705,4.5497469353135385,4.549922626529957,4.549976273097135,4.549992732144133,second
+277,4.73,91,4.351011244529574e+16,2.07,0.7275486072772777,30.8,Unknown,None,1,0.30050661746537427,0.1637353962870014,5.82,1.207332296665633,1.1707829338225344,1.1689543769783182,1.1690321226606126,1.169739842157477,1.1688970460102177,1.1688045180889075,1.1684236648858022,1.1675919786564504,1.1693193468660608,2.44,2.44,2.44,2.44,2.44,2.44,2.44,2.44,2.44,2.44,2.44,1.38,2.9175559011114562,2.9297390220591555,2.930348541007228,2.9303226257797963,2.9300867192808417,2.930367651329928,2.9303984939703653,2.930525445038067,2.930802673781184,2.930226884377981,third
+274,5.76,94,2.1978924153936896e+17,3.0,1.0986122886681098,166.4,Unknown,Acid,1,0.26390415027030034,0.19294057306970128,5.39,1.2504920959441588,1.2062516470264186,1.203672385820565,1.2031640012471485,1.2036648140590842,1.2050208188529046,1.2044426326622268,1.2029070882520336,1.2031567985982885,1.2040363776286962,4.76,4.76,4.76,4.76,4.76,4.76,4.76,4.76,4.76,4.76,4.76,0.99,2.369835968018614,2.384582784324527,2.3854425380598117,2.3856119995842833,2.3854450619803047,2.3849930603823646,2.3851857891125907,2.3856976372493217,2.3856144004672366,2.385321207457101,third
+273,9.97,92,2.0959693371596416e+17,1.48,0.3920420877760237,136.1,Branched,Enzyme,0,0.5222360084613548,0.4268125014018902,8.59,8.172211193230915,7.754422386461831,7.336633579692748,6.918844772923664,6.50105596615458,6.083267159385496,5.665478352616412,5.247689545847328,4.829900739078244,4.412111932309159,1.91,1.91,1.91,1.91,1.91,1.91,1.91,1.91,1.91,1.91,1.91,2.7,3.117788806769084,3.535577613538168,3.9533664203072516,4.371155227076335,4.788944033845419,5.206732840614503,5.624521647383587,6.0423104541526715,6.460099260921755,6.87788806769084,zero
+270,13.06,96,4.361860249769348e+17,1.11,0.10436001532424286,69.5,Linear,Base,0,0.11659623372891548,0.09179817269831073,2.44,2.3467230130168675,2.253446026033735,2.160169039050603,2.0668920520674705,1.973615065084338,1.8803380781012056,1.787061091118073,1.6937841041349408,1.6005071171518084,1.507230130168676,3.33,3.33,3.33,3.33,3.33,3.33,3.33,3.33,3.33,3.33,3.33,3.96,4.053276986983133,4.146553973966265,4.239830960949398,4.33310794793253,4.426384934915662,4.519661921898795,4.612938908881927,4.70621589586506,4.799492882848192,4.892769869831325,zero
+273,6.98,96,8.047811989714042e+16,1.79,0.5822156198526637,176.3,Linear,Enzyme,0,0.03441829541101733,0.01768485975924002,4.27,4.154031008895145,4.041211624438111,3.9314563050108875,3.8246816948631492,3.72080691572686,3.6197533900605285,3.521444527967346,3.425805727170826,3.332764373014803,3.242249838463432,0.74,0.74,0.74,0.74,0.74,0.74,0.74,0.74,0.74,0.74,0.74,0.15,0.15,0.15,0.15,0.15,0.15,0.15,0.15,0.15,0.15,0.15,first
+274,6.66,99,3.0870192260053894e+17,4.85,1.5789787049493917,34.4,Linear,Enzyme,0,0.04128172499098173,0.021865397035544788,9.66,9.346185262972956,9.042565127981547,8.748808389925552,8.464593692930805,8.189611750120623,7.923563603118937,7.666159195354919,7.417117372062992,7.176165880282824,6.943041368859329,1.99,1.99,1.99,1.99,1.99,1.99,1.99,1.99,1.99,1.99,1.99,4.97,4.97,4.97,4.97,4.97,4.97,4.97,4.97,4.97,4.97,4.97,first
+276,8.23,95,5.555580734424642e+16,5.0,1.6094379124341003,166.6,Linear,Base,0,0.058178913647523936,0.042385223206647546,6.34,2.497455937449375,1.7554769112703188,1.3978017637707287,1.178661049537244,1.0283616310898485,0.9169235195293807,0.8298724547527259,0.760586299007266,0.7036193344444537,0.6551950911850604,3.96,2.0387279687246878,1.6677384556351593,1.4889008818853644,1.379330524768622,1.3041808155449242,1.2484617597646903,1.2049362273763629,1.1702931495036328,1.1418096672222269,1.1175975455925302,3.31,5.231272031275313,5.602261544364841,5.781099118114636,5.890669475231378,5.965819184455076,6.0215382402353095,6.0650637726236365,6.099706850496367,6.1281903327777725,6.152402454407469,third
+271,5.57,92,6.614138455804374e+16,2.17,0.7747271675523681,65.9,Ring,Base,1,0.12219119371836033,0.0931728127705091,5.5,4.727182796248136,4.353283024227748,4.154588740339223,4.044543385933364,3.9834378678258617,3.947962872710716,3.928227588084589,3.916322021612462,3.9096685238522175,3.9060109031181898,2.53,1.7571827962481357,1.3832830242277476,1.1845887403392228,1.0745433859333644,1.0134378678258615,0.9779628727107158,0.9582275880845891,0.9463220216124624,0.9396685238522177,0.93601090311819,3.16,3.9328172037518643,4.306716975772252,4.505411259660777,4.615456614066636,4.676562132174139,4.7120371272892845,4.731772411915411,4.743677978387538,4.750331476147783,4.75398909688181,second
+278,9.07,92,2.5491953070026794e+17,2.85,1.0473189942805592,81.7,Ring,Base,0,1.3167248646973002,1.121137763706323,2.54,0.8866911389243692,0.3095048119778801,0.10803066906734765,0.03770534588603559,0.013160157991129634,0.004593490852121509,0.001603450192265645,0.000559722307301792,0.0001953511332780311,6.849655543903537e-05,2.68,2.68,2.68,2.68,2.68,2.68,2.68,2.68,2.68,2.68,2.68,2.42,4.073308861075631,4.650495188022119,4.8519693309326515,4.922294654113963,4.9468398420088695,4.955406509147878,4.958396549807734,4.959440277692698,4.959804648866721,4.959931503444561,first
+278,10.21,91,3.110885175067156e+17,4.97,1.6034198401085373,100.0,Branched,None,0,2.4767209768608693,2.2210964457159084,2.77,0.28916066866461576,0.20495617606449165,0.16756990093151017,0.1450677967036096,0.12989408626025223,0.11851359919610376,0.10973803854714273,0.10272520248901444,0.09684798625202626,0.09186177583988034,1.06,1.06,1.06,1.06,1.06,1.06,1.06,1.06,1.06,1.06,1.06,2.47,3.2969464437784617,3.325014607978503,3.3374766996894967,3.344977401098797,3.350035304579916,3.3538288002679657,3.356753987150953,3.3590915991703287,3.3610506712493247,3.3627127413867064,third
+271,10.39,98,6.816881697064492e+16,3.7,1.308332819650179,94.3,Branched,Enzyme,0,0.008782620542934584,0.004477034559845815,6.85,6.802039922781655,6.754415636664504,6.707124790619998,6.66016504996398,6.613534096406576,6.5672296282621545,6.521249359724606,6.475591020827166,6.430252357442422,6.385231131282304,0.63,0.63,0.63,0.63,0.63,0.63,0.63,0.63,0.63,0.63,0.63,3.25,3.297960077218344,3.345584363335495,3.3928752093800014,3.43983495003602,3.486465903593424,3.532770371737845,3.5787506402753944,3.6244089791728333,3.6697476425575783,3.714768868717695,first
+274,9.86,100,4.8394324917810586e+17,0.63,-0.4620354595965587,123.1,Ring,Base,1,0.04172234217494275,0.028951137975030263,4.76,4.653718465862169,4.553279289901473,4.458360680834987,4.3686559130168305,4.283882279230444,4.203771555976761,4.128067923008675,4.056527963331044,3.9889206632006813,3.9250274121263655,2.82,2.82,2.82,2.82,2.82,2.82,2.82,2.82,2.82,2.82,2.82,2.14,2.246281534137832,2.346720710098527,2.4416393191650125,2.5313440869831694,2.616117720769556,2.696228444023239,2.7719320769913245,2.8434720366689565,2.911079336799319,2.974972587873635,first
+278,10.98,100,2.416128343982534e+17,4.53,1.5107219394949427,168.9,Branched,None,1,0.039174415824310554,0.030711072815738052,6.67,4.888739900950888,3.976821127756395,3.4272656656527576,3.0778095600321045,2.8475161597666108,2.6911401877229957,2.580231465039145,2.5031290623428593,2.4486996605346354,2.408616395010136,4.43,4.43,4.43,4.43,4.43,4.43,4.43,4.43,4.43,4.43,4.43,4.58,5.470630049524556,5.926589436121803,6.201367167173621,6.376095219983948,6.491241920116694,6.569429906138502,6.624884267480428,6.66343546882857,6.690650169732682,6.7106918024949325,second
+280,12.87,97,1.5748535009171994e+17,3.38,1.2178757094949273,43.5,Unknown,Acid,0,0.12618707807773483,0.10438974937195478,1.58,1.1292877979532614,0.9044193315458372,0.7634738954863748,0.6652542150978548,0.5932170466194024,0.5366786911546633,0.49099331800459595,0.4536011361416613,0.4222762126378935,0.39527237284164846,1.39,1.1646438989766308,1.0522096657729187,0.9817369477431875,0.9326271075489275,0.8966085233097013,0.8683393455773317,0.8454966590022981,0.8268005680708308,0.8111381063189468,0.7976361864208243,1.27,1.4953561010233691,1.6077903342270812,1.6782630522568125,1.7273728924510725,1.7633914766902985,1.791660654422668,1.8145033409977018,1.8331994319291691,1.848861893681053,1.8623638135791756,third
+277,12.61,95,4.591144352806599e+17,0.93,-0.07257069283483537,127.5,Linear,Base,0,0.5582988188695351,0.36301886963756264,9.48,9.033360944904372,8.586721889808743,8.140082834713116,7.693443779617487,7.246804724521859,6.800165669426231,6.353526614330602,5.906887559234974,5.4602485041393445,5.0136094490437175,1.48,1.48,1.48,1.48,1.48,1.48,1.48,1.48,1.48,1.48,1.48,4.03,4.476639055095628,4.923278110191257,5.369917165286885,5.8165562203825125,6.26319527547814,6.709834330573769,7.156473385669398,7.603112440765026,8.049751495860654,8.496390550956281,zero
+280,13.48,90,1.5073858914692352e+17,2.39,0.8712933659434193,59.9,Ring,Base,0,2.442937377316046,1.9735903605605292,2.08,0.29507098655623903,0.04188430716271448,0.005945385609327909,0.0008438144281656686,0.00011960056985349923,1.726607205656473e-05,2.502403405586965e-06,4.933878090160333e-07,1.5977528636712633e-07,6.490935791075117e-08,2.53,2.53,2.53,2.53,2.53,2.53,2.53,2.53,2.53,2.53,2.53,4.6,4.6,4.6,4.6,4.6,4.6,4.6,4.6,4.6,4.6,4.6,first
+272,2.71,97,2.48038656220474e+17,3.06,1.1184149159642893,78.0,Linear,None,1,0.058351520058096955,0.034266484695330356,6.28,4.181661518847859,3.267769565718158,2.7875000265782752,2.512865513568485,2.3442136664802065,2.2392451159524676,2.1721279944203395,2.1275253350587584,2.0993518387714025,2.0808010315487144,4.75,4.75,4.75,4.75,4.75,4.75,4.75,4.75,4.75,4.75,4.75,4.99,6.03916924057607,6.496115217140921,6.736249986710862,6.873567243215757,6.957893166759896,7.010377442023766,7.04393600278983,7.066237332470621,7.080324080614298,7.0895994842256425,second
+271,5.07,95,3.7944586698086605e+17,4.2,1.4350845252893227,40.0,Ring,Acid,1,0.18511956481020395,0.15360622881070551,7.22,2.5951193140573663,1.9389707989633167,1.7623804233086382,1.708102618570441,1.6908166923357375,1.684503626471007,1.6831261340198327,1.681976642981014,1.682301898671651,1.6820732389424182,0.79,0.79,0.79,0.79,0.79,0.79,0.79,0.79,0.79,0.79,0.79,0.64,2.952440342971317,3.280514600518342,3.3688097883456805,3.3959486907147793,3.4045916538321315,3.407748186764497,3.408436932990084,3.4090116785094935,3.408849050664175,3.408963380528791,second
+280,10.14,91,6.713274292207e+16,1.11,0.10436001532424286,60.5,Ring,Enzyme,0,0.7080489070992669,0.45963767812551737,3.74,0.7159142463587544,0.39624433243688223,0.2738885508783415,0.2090802789600753,0.1691999378711667,0.14202618703048975,0.12250960019581503,0.1075607254862806,0.09590622059690314,0.08653847095153189,3.44,3.44,3.44,3.44,3.44,3.44,3.44,3.44,3.44,3.44,3.44,1.76,3.272042876820623,3.4318778337815594,3.49305572456083,3.525459860519963,3.5454000310644167,3.5589869064847552,3.5687451999020925,3.5762196372568598,3.5820468897015485,3.586730764524234,second
+278,12.59,90,3.3591022542041984e+17,3.26,1.1817271953786161,60.4,Linear,Base,0,4.122090289570757,3.5736708727105415,6.17,0.2288892107823325,0.00847962837786907,0.00031473874372937996,1.1639777458500796e-05,6.231763692885077e-07,-8.654353944855583e-08,3.775989214412685e-07,1.046158792388956e-06,1.6673010985413888e-06,7.014671128254346e-07,0.69,0.69,0.69,0.69,0.69,0.69,0.69,0.69,0.69,0.69,0.69,3.81,3.81,3.81,3.81,3.81,3.81,3.81,3.81,3.81,3.81,3.81,first
+270,3.6,92,2.6571922489471904e+17,2.83,1.0402767116551463,78.3,Ring,Enzyme,0,0.4219978319421853,0.37062404821118383,4.32,3.982401734446252,3.6448034688925035,3.307205203338756,2.9696069377850076,2.632008672231259,2.2944104066775104,1.956812141123762,1.6192138755700136,1.2816156100162646,0.944017344462516,3.57,3.57,3.57,3.57,3.57,3.57,3.57,3.57,3.57,3.57,3.57,4.86,5.197598265553749,5.5351965311074975,5.872794796661245,6.210393062214993,6.547991327768742,6.88558959332249,7.223187858876239,7.5607861244299865,7.898384389983736,8.235982655537484,zero
+280,9.45,96,1.941379414069633e+17,2.66,0.9783261227936078,144.5,Unknown,None,0,0.2390254627054403,0.1608033265752032,6.01,0.9010189188762013,0.5426993453940467,0.3951381474350327,0.312984869276081,0.25953831669880145,0.2224830701631515,0.19465665889567077,0.1731779446447073,0.15621737995682328,0.14228024687260496,4.58,2.025509459438101,1.8463496726970234,1.7725690737175166,1.7314924346380407,1.704769158349401,1.6862415350815758,1.6723283294478355,1.6615889723223538,1.6531086899784118,1.6461401234363024,3.65,6.204490540561898,6.383650327302975,6.457430926282481,6.498507565361957,6.525230841650597,6.543758464918422,6.557671670552162,6.568411027677644,6.576891310021586,6.583859876563695,third
+278,1.64,99,2.798196442727175e+17,3.33,1.2029723039923526,146.5,Linear,None,0,0.06992973840537232,0.061310881346866776,1.67,1.614056209275702,1.5581124185514041,1.5021686278271063,1.4462248371028084,1.3902810463785105,1.3343372556542126,1.2783934649299147,1.2224496742056168,1.166505883481319,1.110562092757021,3.56,3.56,3.56,3.56,3.56,3.56,3.56,3.56,3.56,3.56,3.56,3.79,3.8459437907242977,3.901887581448596,3.9578313721728935,4.013775162897192,4.069718953621489,4.125662744345787,4.181606535070085,4.237550325794383,4.293494116518681,4.3494379072429785,zero
+276,5.97,99,4.83734836748793e+17,4.72,1.5518087995974639,166.0,Ring,None,1,0.08863237756531062,0.06813103666623642,1.68,1.5644687178906844,1.5172746773516093,1.4920251303040082,1.480492500224275,1.4744261901146773,1.472139960756365,1.4705531904345444,1.4697716273704395,1.4697903273709896,1.4695913453567724,1.35,1.2922343589453424,1.268637338675805,1.2560125651520044,1.2502462501121379,1.247213095057339,1.246069980378183,1.2452765952172726,1.24488581368522,1.2448951636854952,1.2447956726783866,3.39,3.4477656410546578,3.4713626613241955,3.483987434847996,3.489753749887863,3.4927869049426614,3.4939300196218177,3.494723404782728,3.49511418631478,3.495104836314505,3.495204327321614,third
+279,12.65,100,1.3012712269700173e+17,3.69,1.3056264580524357,39.4,Unknown,None,0,0.02463760266846836,0.017150897711838878,9.63,9.623086939699089,9.617372227623914,9.612636786557367,9.608716549620105,9.60548632331522,9.602828411283381,9.600632555970641,9.59880210019582,9.597284936367663,9.596029587427417,0.04,0.03308693969908807,0.02737222762391371,0.02263678655736656,0.018716549620104272,0.015486323315218842,0.012828411283380862,0.010632555970640192,0.008802100195818915,0.007284936367660293,0.006029587427414846,2.33,2.3369130603009123,2.3426277723760864,2.3473632134426334,2.351283450379896,2.3545136766847814,2.357171588716619,2.35936744402936,2.3611978998041816,2.36271506363234,2.3639704125725856,second
+278,2.86,96,1.3654751175498922e+17,0.75,-0.2876820724517809,51.0,Unknown,None,0,0.12496000048127939,0.10899444480834959,2.68,2.3603913932333396,2.135511028062554,1.96934822661487,1.8436727476540655,1.745243030546724,1.6659434676141176,1.6018427948307297,1.5494298937426068,1.5058017080051447,1.4690881131271059,1.44,1.1203913932333394,0.8955110280625537,0.7293482266148696,0.6036727476540651,0.5052430305467235,0.4259434676141173,0.36184279483072923,0.30942989374260627,0.2658017080051441,0.2290881131271053,1.96,2.2796086067666606,2.504488971937446,2.67065177338513,2.7963272523459346,2.8947569694532764,2.9740565323858825,3.038157205169271,3.0905701062573936,3.134198291994856,3.170911886872895,second
+272,9.14,96,2.6346692155727706e+17,4.48,1.4996230464268938,65.6,Branched,Base,0,0.09645060466494629,0.06265004758394577,1.76,1.1333940599787826,0.8978046902409601,0.766811640505382,0.6800650393799892,0.6173313819301033,0.5696661244154241,0.5311256748876246,0.49951664371166227,0.4730552940631318,0.45037096263734366,0.49,0.49,0.49,0.49,0.49,0.49,0.49,0.49,0.49,0.49,0.49,4.36,4.56886864667374,4.647398436586347,4.691062786498207,4.71997832020667,4.740889539356632,4.756777958528192,4.7696247750374585,4.780161118762779,4.788981568645623,4.796543012454219,third
+279,1.66,99,4.030817731752147e+17,3.3,1.1939224684724346,60.5,Ring,Base,0,0.11744958166481245,0.07333912464892829,9.07,3.2541271948197004,2.748733650276629,2.55736695244102,2.465040159908851,2.415805731960237,2.388356088701887,2.3725314857288105,2.3633156940159776,2.357897373155476,2.354691080128365,3.36,0.45206359740984936,0.1993668251383135,0.10368347622050891,0.05752007995442456,0.03290286598011734,0.01917804435094243,0.01126574286440402,0.006657847007987685,0.003948686577736807,0.0023455400641814294,4.11,7.01793640259015,7.270633174861686,7.366316523779491,7.412479920045576,7.437097134019884,7.450821955649058,7.458734257135597,7.463342152992013,7.4660513134222635,7.46765445993582,third
+276,12.22,94,1.916992661315175e+17,2.82,1.0367368849500223,143.0,Branched,Acid,1,0.31039832720906174,0.18530401450642817,9.13,3.2890710789342155,3.246443376475649,3.2449014084864594,3.2446913296643727,3.244682797505849,3.2446402205006843,3.244700483602809,3.244804126638204,3.244768570421718,3.2449866052891,3.14,0.21953553946710733,0.198221688237824,0.19745070424322916,0.19734566483218602,0.19734139875292403,0.19732011025034177,0.19735024180140404,0.19740206331910176,0.1973842852108586,0.19749330264454967,0.54,3.460464460532893,3.4817783117621763,3.4825492957567707,3.482654335167814,3.4826586012470764,3.4826798897496585,3.4826497581985962,3.482597936680899,3.482615714789142,3.482506697355451,third
+275,13.57,97,3.9806055633010106e+17,2.48,0.9082585601768908,90.0,Unknown,Base,1,0.14952079304865706,0.08185669696700612,8.35,1.5240683697211241,1.4181161960592765,1.407282841587196,1.4058662204429562,1.4053823858733288,1.4064995235976048,1.4047203924902456,1.4067773741089078,1.4062972473269264,1.4061940423292518,1.46,1.46,1.46,1.46,1.46,1.46,1.46,1.46,1.46,1.46,1.46,2.76,5.035310543426292,5.070627934646907,5.074239052804268,5.074711259852348,5.074872538042224,5.074500158800799,5.075093202503252,5.074407541963699,5.074567584224359,5.074601985890251,third
+273,11.17,90,4.390976026263433e+17,1.84,0.6097655716208943,126.7,Ring,None,1,2.6407551217974325,1.3218711736266744,1.95,1.4556424138558368,1.45525248457368,1.4555873371320551,1.455724900191805,1.4558295434592798,1.4560433666895694,1.4561366548665067,1.456097311028696,1.4564116807911236,1.4556624960387352,0.02,0.02,0.02,0.02,0.02,0.02,0.02,0.02,0.02,0.02,0.02,3.98,4.227178793072082,4.227373757713161,4.227206331433974,4.227137549904099,4.2270852282703615,4.226978316655216,4.2269316725667485,4.226951344485655,4.22679415960444,4.227168751980635,second
+276,6.65,95,1.2004880002738371e+17,2.16,0.7701082216960737,70.7,Unknown,None,1,0.12571698809099116,0.07951583762494219,6.85,5.086731083066518,4.3330199811046555,3.950687136834228,3.739649448069313,3.618689008552379,3.546320452704973,3.50344395637462,3.47708007986582,3.4610550612176554,3.451524968864896,4.19,2.4267310830665183,1.6730199811046558,1.2906871368342276,1.079649448069313,0.9586890085523792,0.8863204527049727,0.8434439563746192,0.8170800798658199,0.8010550612176554,0.791524968864896,0.8,2.563268916933482,3.3169800188953444,3.6993128631657726,3.910350551930687,4.031310991447621,4.103679547295028,4.146556043625381,4.17291992013418,4.1889449387823445,4.198475031135104,second
+277,3.22,97,3.0583168166581606e+17,3.3,1.1939224684724346,85.3,Linear,Enzyme,0,0.15605194907811112,0.11668152831350175,4.27,4.14515844073751,4.020316881475021,3.8954753222125325,3.7706337629500437,3.645792203687555,3.520950644425066,3.3961090851625766,3.271267525900088,3.1464259666375987,3.0215844073751095,3.68,3.68,3.68,3.68,3.68,3.68,3.68,3.68,3.68,3.68,3.68,2.32,2.4448415592624886,2.5696831185249778,2.6945246777874665,2.8193662370499553,2.944207796312444,3.069049355574933,3.1938909148374224,3.318732474099911,3.4435740333624003,3.5684155926248895,zero
+270,8.96,96,2.6684081322221197e+17,4.75,1.55814461804655,125.4,Linear,None,0,0.07132881854368471,0.04032143393098576,2.06,1.945741068411866,1.8378196047380353,1.7358825894121608,1.6395950625411615,1.5486489352655148,1.4627509348954293,1.381621431479608,1.3049944378052447,1.2326176093980274,1.1642522445221366,3.5,3.5,3.5,3.5,3.5,3.5,3.5,3.5,3.5,3.5,3.5,2.07,2.184258931588134,2.2921803952619646,2.3941174105878393,2.4904049374588384,2.581351064734485,2.6672490651045706,2.748378568520392,2.825005562194755,2.8973823906019724,2.9657477554778633,first
+274,11.69,92,4.830429048201203e+17,0.96,-0.040821994520255166,192.7,Linear,Acid,0,1.3954491398228126,0.8305005254212333,6.43,0.42038636339451063,0.21709353039507873,0.14637912054326097,0.11046824644277742,0.08869386805901378,0.0740703679630438,0.06357083741314094,0.05574978775934657,0.049583175443377016,0.044641501695220145,3.35,3.35,3.35,3.35,3.35,3.35,3.35,3.35,3.35,3.35,3.35,3.01,6.014806818302745,6.116453234802462,6.15181043972837,6.169765876778612,6.180653065970494,6.18796481601848,6.193214581293431,6.197125106120328,6.200208412278314,6.202679249152392,second
+276,9.26,96,1.3791044850358712e+17,3.34,1.205970806988609,120.7,Linear,Enzyme,0,0.09340508883060022,0.053337144595927984,4.07,3.776957830167466,3.505015170985201,3.2526422673597013,3.018403776064464,2.801034098384534,2.5993439894464103,2.412209657840165,2.2385727656194403,2.0774404283014527,1.9278852148669874,3.62,3.62,3.62,3.62,3.62,3.62,3.62,3.62,3.62,3.62,3.62,2.72,2.72,2.72,2.72,2.72,2.72,2.72,2.72,2.72,2.72,2.72,first
+271,10.08,95,2.5104476660628262e+17,4.81,1.5706970841176697,47.2,Unknown,Acid,1,0.12247675356647837,0.09473598736248845,8.83,1.6976491725977758,1.5876294280567647,1.5769042560521571,1.5756415874275713,1.5754107017133245,1.5763330926789343,1.574582882001768,1.577097879358045,1.5756768924095237,1.5765055071539245,2.4,2.4,2.4,2.4,2.4,2.4,2.4,2.4,2.4,2.4,2.4,2.64,5.0174502758007415,5.054123523981079,5.057698581315947,5.058119470857476,5.058196432762226,5.057888969107022,5.058472372666078,5.057634040213985,5.058107702530159,5.057831497615358,third
+279,7.35,97,5.96057979905001e+16,1.15,0.13976194237515863,147.4,Branched,Acid,1,0.04113411975047324,0.036637652429270105,5.61,4.151945909480732,3.3429884073890785,2.8413701614962372,2.504953855926084,2.2725660656389115,2.104563866915849,1.9801521694798754,1.888193142311966,1.8186051573055282,1.7646931496549918,0.42,0.42,0.42,0.42,0.42,0.42,0.42,0.42,0.42,0.42,0.42,0.77,1.4990270452596341,1.903505796305461,2.1543149192518816,2.322523072036958,2.4387169671805444,2.5227180665420756,2.5849239152600623,2.630903428844017,2.665697421347236,2.6926534251725043,second
+270,6.19,93,4.605764886305394e+17,0.85,-0.16251892949777494,36.0,Branched,None,0,0.4685116454943516,0.33963847885334947,6.23,4.282372271624647,2.9437901146025567,2.021416859990108,1.391800760383065,0.9571119183325844,0.6576773338392857,0.45292757903963576,0.3110779344513598,0.21400236929376718,0.14728044097699827,1.51,1.51,1.51,1.51,1.51,1.51,1.51,1.51,1.51,1.51,1.51,3.15,3.15,3.15,3.15,3.15,3.15,3.15,3.15,3.15,3.15,3.15,first
+271,8.27,98,2.813921808718597e+17,2.58,0.9477893989335261,99.2,Unknown,Enzyme,0,0.036253537294193984,0.021030614729618532,8.29,2.306004524214461,1.6631166627668341,1.367314453388341,1.188960833889648,1.0650407289115693,0.9736282429908727,0.9028803276838304,0.8449516648352635,0.796916190249385,0.7562374783305068,3.83,3.83,3.83,3.83,3.83,3.83,3.83,3.83,3.83,3.83,3.83,1.2,3.1946651585951793,3.4089611124110544,3.507561848870552,3.5670130553701163,3.6083197570294763,3.6387905856697085,3.662373224105389,3.681682778388245,3.6976946032502043,3.7112541738898304,third
+278,3.57,95,1.1898856286831467e+17,3.76,1.324418957401803,95.0,Linear,Base,1,0.1678392852982849,0.08773134405969898,1.26,1.343562442349887,1.3802119428731865,1.3972581368550616,1.404370938340554,1.4079948304475354,1.408918921308722,1.4097571295048419,1.4101987009319197,1.4099542365099798,1.4100349123334344,4.45,4.45,4.45,4.45,4.45,4.45,4.45,4.45,4.45,4.45,4.45,3.88,3.8382187788250564,3.8198940285634064,3.811370931572469,3.807814530829723,3.806002584776232,3.805540539345639,3.805121435247579,3.8049006495340403,3.80502288174501,3.8049825438332827,second
+270,11.12,94,9.971645971567926e+16,3.66,1.297463147413275,45.2,Ring,Enzyme,1,0.06497059739822128,0.037108077466877804,8.83,6.767660944665583,6.651210873495534,6.640505853610252,6.639479610735291,6.639379784371282,6.639376377941715,6.6393824138816555,6.639337067521641,6.639417966009432,6.639384518245149,1.12,0.08883047233279247,0.030605436747767528,0.025252926805126176,0.02473980536764582,0.024689892185641077,0.02468818897085751,0.024691206940827864,0.024668533760820774,0.024708983004716297,0.024692259122574403,0.81,1.8411695276672073,1.8993945632522322,1.9047470731948737,1.905260194632354,1.9053101078143586,1.9053118110291423,1.905308793059172,1.905331466239179,1.9052910169952832,1.9053077408774253,third
+279,3.36,91,4.643109927236665e+17,1.81,0.5933268452777344,22.3,Ring,Base,1,4.2568547346756045,3.580286106149395,2.77,1.512818177632463,1.512900450242933,1.5125004589628759,1.512418728378317,1.512682218646369,1.513289610221213,1.5142397620989594,1.5146595840745256,1.5156823137981772,1.514597278322458,2.91,1.6528181776324626,1.6529004502429328,1.6525004589628756,1.6524187283783167,1.6526822186463688,1.6532896102212127,1.654239762098959,1.6546595840745253,1.6556823137981769,1.6545972783224576,1.72,2.9771818223675375,2.9770995497570674,2.9774995410371248,2.9775812716216836,2.977317781353631,2.9767103897787877,2.975760237901041,2.975340415925475,2.9743176862018235,2.975402721677543,second
+275,12.73,95,1.2250276284959293e+17,4.03,1.3937663759585917,186.4,Ring,Enzyme,0,0.11035711570728465,0.070138375021257,7.94,7.269064258264217,6.654787710564369,6.092123153948606,5.576928963628678,5.1054164697484445,4.673996453087744,4.2792791450624,3.9180742277242087,3.5873908337609492,3.284437546496383,0.28,0.28,0.28,0.28,0.28,0.28,0.28,0.28,0.28,0.28,0.28,1.24,1.9109357417357826,2.525212289435631,3.087876846051394,3.603071036371322,4.074583530251555,4.506003546912256,4.9007208549376,5.2619257722757915,5.5926091662390505,5.895562453503617,first
+278,9.66,98,4.3783462865242925e+17,3.87,1.3532545070416904,72.9,Branched,None,0,0.1686533551798852,0.12123859347733257,6.67,6.535077315856092,6.400154631712184,6.265231947568276,6.130309263424368,5.99538657928046,5.860463895136552,5.725541210992644,5.5906185268487345,5.455695842704826,5.320773158560918,1.5,1.5,1.5,1.5,1.5,1.5,1.5,1.5,1.5,1.5,1.5,1.1,1.2349226841439083,1.3698453682878164,1.5047680524317244,1.6396907365756326,1.7746134207195408,1.9095361048634492,2.0444587890073573,2.179381473151266,2.3143041572951737,2.4492268414390823,zero
+277,8.38,99,1.78951905106766e+17,4.56,1.5173226235262947,147.6,Unknown,Acid,1,0.03831457514304379,0.0312916867208519,4.22,2.2401256532435636,1.8821327588041719,1.7554606559449815,1.7037140525296695,1.6800303297998593,1.6702378542854723,1.664970389616834,1.6633546681443636,1.6622390946620313,1.6616741096386962,3.51,3.51,3.51,3.51,3.51,3.51,3.51,3.51,3.51,3.51,3.51,4.76,5.4199581155854775,5.539289080398608,5.581513114685005,5.598761982490109,5.6066565567333795,5.609920715238174,5.611676536794388,5.6122151106185445,5.612586968445989,5.6127752967871,third
+277,12.4,91,4.138986437783442e+17,3.7,1.308332819650179,82.0,Ring,Base,0,2.8586292800717366,2.0492610582684083,2.26,0.06273262430090078,0.03224017751300103,0.021709847108249983,0.016373510703900106,0.013130076705182073,0.010977439727035436,0.009419985672133877,0.008249905704921297,0.007347875406756053,0.006618377459131156,4.42,3.32136631215045,3.3061200887565003,3.300854923554125,3.29818675535195,3.296565038352591,3.2954887198635174,3.2947099928360664,3.29412495285246,3.2936739377033777,3.293309188729565,2.29,3.3886336878495498,3.4038799112434996,3.409145076445875,3.41181324464805,3.413434961647409,3.4145112801364825,3.4152900071639336,3.41587504714754,3.4163260622966223,3.416690811270435,third
+278,5.54,100,4.1846933070580416e+17,2.0,0.6931471805599453,39.1,Branched,None,1,0.06784942369315049,0.051865319090799694,3.39,1.5943691661500843,1.2452815148207377,1.0950688076373436,1.0150352707830002,0.9694554531782651,0.9412555570596366,0.9243154552203787,0.9132280808121279,0.9061264550526078,0.9016378677170404,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.1,0.6985436112833056,0.8149061617264209,0.8649770641208857,0.8916549097390001,0.9068481822739118,0.916248147646788,0.9218948482598739,0.9255906397292909,0.9279578483157975,0.9294540440943201,third
+277,1.29,94,2.0703315620414477e+17,2.05,0.7178397931503168,146.5,Ring,Enzyme,0,0.3886558262015619,0.19561240778567351,6.19,5.879075339038751,5.5681506780775,5.257226017116252,4.9463013561550015,4.635376695193752,4.324452034232502,4.013527373271252,3.702602712310002,3.391678051348752,3.0807533903875006,2.34,2.34,2.34,2.34,2.34,2.34,2.34,2.34,2.34,2.34,2.34,1.62,1.9309246609612498,2.2418493219225,2.552773982883749,2.863698643844998,3.1746233048062478,3.4855479657674975,3.7964726267287476,4.107397287689998,4.418321948651248,4.729246609612499,zero
+273,11.68,97,1.0339525724373498e+17,4.44,1.4906543764441336,125.8,Ring,Acid,0,0.02846227206741672,0.015336069603443695,3.91,3.821975961187831,3.7359335680954,3.6518281941960598,3.569616172588299,3.489254962763165,3.4107029482314712,3.333919399392744,3.2588644735352212,3.185499214835855,3.1137855543603083,3.67,3.67,3.67,3.67,3.67,3.67,3.67,3.67,3.67,3.67,3.67,1.61,1.6980240388121697,1.7840664319046002,1.8681718058039405,1.9503838274117014,2.0307450372368354,2.109297051768529,2.1860806006072564,2.261135526464779,2.3345007851641455,2.406214445639692,first
+279,10.54,97,4.2514191011369376e+17,2.25,0.8109302162163288,147.9,Ring,Enzyme,1,0.29339156308835596,0.17224717325966454,3.78,3.59039977260782,3.525395138639231,3.5022289684750034,3.493911767182151,3.4909951260253185,3.489845161197518,3.489497281388244,3.4892993672435972,3.4893277170404433,3.48927498594015,0.55,0.3603997726078202,0.29539513863923134,0.27222896847500383,0.26391176718215137,0.26099512602531894,0.2598451611975183,0.2594972813882441,0.25929936724359764,0.2593277170404436,0.25927498594015036,1.25,1.4396002273921797,1.5046048613607685,1.5277710315249962,1.5360882328178487,1.539004873974681,1.5401548388024817,1.540502718611756,1.5407006327564023,1.5406722829595563,1.5407250140598496,second
+274,13.74,98,1.5426785535877094e+17,2.72,1.000631880307906,151.4,Ring,Acid,0,0.0319991322709256,0.01815335211698431,7.04,6.631074985319793,6.304645671125003,6.038875365732852,5.820670708943947,5.640301420290586,5.489200131968455,5.3601359576259275,5.249655493417625,5.154974215445622,5.073402320417269,2.55,2.1410749853197917,1.814645671125002,1.5488753657328511,1.3306707089439458,1.1503014202905852,0.9992001319684544,0.8701359576259265,0.7596554934176238,0.6649742154456217,0.5834023204172689,2.63,3.038925014680208,3.365354328874998,3.631124634267149,3.8493292910560544,4.0296985797094145,4.180799868031546,4.309864042374073,4.420344506582376,4.515025784554378,4.596597679582731,second
+278,5.14,90,2.259873961228103e+17,4.19,1.4327007339340465,151.1,Branched,Enzyme,1,2.773182775121881,2.1422162176209136,7.03,5.004014447187572,5.00410324209115,5.004158723738435,5.004155106414241,5.004030648530055,5.003994637554933,5.0040799295272,5.004167606624116,5.0041419116329475,5.004104928715332,1.08,0.06700722359378607,0.06705162104557527,0.0670793618692184,0.06707755320712126,0.06701532426502846,0.06699731877746729,0.06703996476359955,0.06708380331205802,0.06707095581647428,0.0670524643576668,1.16,2.172992776406214,2.1729483789544246,2.1729206381307824,2.1729224467928794,2.1729846757349724,2.1730026812225334,2.1729600352364,2.172916196687942,2.172929044183526,2.172947535642334,third
+273,12.2,92,2.1086791270382224e+17,4.54,1.5129270120532565,173.8,Linear,None,1,0.5254028057121043,0.4646692578979484,9.57,2.3930147279734353,2.3532354025847617,2.353120833525669,2.3550281280051473,2.352141933458864,2.353975690155844,2.3567854701449185,2.3521433785586656,2.3530946965474846,2.354600435094317,0.65,0.65,0.65,0.65,0.65,0.65,0.65,0.65,0.65,0.65,0.65,2.65,6.238492636013281,6.258382298707618,6.258439583237164,6.257485935997426,6.258929033270568,6.258012154922077,6.256607264927539,6.258928310720666,6.258452651726257,6.257699782452841,second
+276,5.08,94,9.003592155378304e+16,3.98,1.3812818192963463,104.3,Linear,Base,0,0.14578563602766845,0.11293194447215209,3.96,3.8433714911778654,3.7267429823557308,3.6101144735335957,3.493485964711461,3.376857455889326,3.2602289470671915,3.1436004382450564,3.026971929422922,2.9103434206007868,2.793714911778652,2.28,2.28,2.28,2.28,2.28,2.28,2.28,2.28,2.28,2.28,2.28,2.2,2.316628508822135,2.4332570176442694,2.5498855264664044,2.666514035288539,2.783142544110674,2.8997710529328087,3.0163995617549437,3.1330280705770783,3.2496565793992134,3.366285088221348,zero
+275,4.45,99,9.433707947630421e+16,4.53,1.5107219394949427,180.4,Unknown,None,1,0.01477518277039451,0.010943623537605834,1.07,1.0658004969719523,1.0616865160622526,1.0576563158505607,1.053708189931082,1.0498404661176592,1.0460515075582693,1.042339711337907,1.0387035059731506,1.035141351400425,1.0316517389760003,0.81,0.81,0.81,0.81,0.81,0.81,0.81,0.81,0.81,0.81,0.81,0.96,0.9641995030280478,0.9683134839377474,0.9723436841494394,0.9762918100689181,0.9801595338823408,0.9839484924417307,0.987660288662093,0.9912964940268492,0.9948586485995748,0.9983482610239998,first
+276,4.17,91,1.8548206410652234e+17,0.8,-0.2231435513142097,89.4,Unknown,Acid,0,1.1101692000067205,0.6683533906997865,5.42,0.39458779894190943,0.23067100997727158,0.16533251673985866,0.1295419297999931,0.1068778572949409,0.09099976411819943,0.07932906960956407,0.07042762302337721,0.06328200664322829,0.05746766363759102,3.58,1.0672938994709549,0.985335504988636,0.9526662583699295,0.9347709648999968,0.9234389286474707,0.9154998820590999,0.9096645348047823,0.9052138115116888,0.9016410033216143,0.8987338318187957,4.92,7.432706100529045,7.514664495011363,7.547333741630069,7.565229035100002,7.576561071352529,7.5845001179409,7.590335465195218,7.594786188488311,7.598358996678385,7.601266168181204,third
+271,13.22,93,2.0161905874246986e+17,3.32,1.199964782928397,61.9,Unknown,Enzyme,0,0.23897006295725667,0.17519276526912897,1.79,1.5988239496341945,1.407647899268389,1.2164718489025839,1.0252957985367785,0.8341197481709731,0.6429436978051676,0.45176764743936215,0.2605915970735566,0.06941554670775085,-0.12176050365805446,1.74,1.74,1.74,1.74,1.74,1.74,1.74,1.74,1.74,1.74,1.74,3.96,4.151176050365805,4.342352100731611,4.533528151097416,4.724704201463221,4.9158802518290265,5.107056302194833,5.298232352560638,5.489408402926443,5.68058445329225,5.871760503658054,zero
+277,7.88,95,5.780817038374646e+16,1.08,0.0769610411361284,172.4,Linear,Acid,1,0.07029670767490687,0.052941755684719614,6.12,3.8081816184672723,2.901572066427031,2.4550458560275623,2.2108741103242493,2.0689911714182703,1.98345354771578,1.9305590771827954,1.8987235467088568,1.878005154447666,1.8650099399113347,4.37,4.37,4.37,4.37,4.37,4.37,4.37,4.37,4.37,4.37,4.37,2.37,3.5259091907663636,3.9792139667864843,4.202477071986219,4.324562944837876,4.395504414290865,4.43827322614211,4.464720461408602,4.4806382266455715,4.490997422776166,4.497495030044332,second
+270,5.62,97,1.4231617130413162e+17,2.88,1.0577902941478545,96.6,Ring,None,0,0.024366795007635975,0.016916555678202543,9.69,9.67050656399389,9.651013127987781,9.631519691981673,9.612026255975563,9.592532819969454,9.573039383963346,9.553545947957238,9.534052511951128,9.51455907594502,9.495065639938911,2.54,2.54,2.54,2.54,2.54,2.54,2.54,2.54,2.54,2.54,2.54,1.65,1.6694934360061087,1.6889868720122174,1.7084803080183262,1.727973744024435,1.7474671800305437,1.7669606160366527,1.7864540520427614,1.8059474880488702,1.825440924054979,1.8449343600610877,zero
+277,13.11,95,3.6865269335346477e+17,0.61,-0.4942963218147801,114.1,Ring,Base,0,0.4482942540164177,0.2712702806864063,2.57,2.211364596786866,1.8527291935737311,1.4940937903605973,1.1354583871474633,0.7768229839343288,0.4181875807211941,0.059552177508059634,-0.2990832257050744,-0.6577186289182084,-1.0163540321313438,4.48,4.48,4.48,4.48,4.48,4.48,4.48,4.48,4.48,4.48,4.48,4.24,4.598635403213135,4.957270806426269,5.315906209639403,5.674541612852536,6.033177016065671,6.391812419278805,6.750447822491941,7.109083225705074,7.467718628918208,7.826354032131343,zero
+272,3.79,96,2.2996731258892432e+17,3.97,1.3787660946990992,162.5,Ring,Acid,0,0.08418698719851433,0.043560104058699964,7.82,4.573224597339373,4.217868801820984,4.122991835229353,4.09383984232417,4.0844993116751604,4.081466703869155,4.080478587110161,4.080156504295608,4.080051350294518,4.080016807392132,1.87,0.24661229866968665,0.06893440091049195,0.02149591761467636,0.006919921162085045,0.002249655837580023,0.0007333519345774441,0.00023929355508065824,7.825214780410252e-05,2.5675147259638722e-05,8.403696066824443e-06,1.27,2.893387701330314,3.0710655990895086,3.118504082385324,3.1330800788379154,3.1377503441624204,3.139266648065423,3.1397607064449202,3.139921747852197,3.1399743248527416,3.1399915963039344,third
+280,3.79,100,4.5179350502642355e+17,2.49,0.9122827104766164,39.9,Linear,Acid,0,0.09977865301431642,0.08382502755966362,7.7,7.397134503530851,7.23507061922259,7.145725587355797,7.095516709592363,7.067297467314953,7.051229028566314,7.042104703894033,7.0369102090752,7.033938612108607,7.032251545964483,0.67,0.36713450353085153,0.20507061922258976,0.11572558735579719,0.06551670959236197,0.03729746731495201,0.021229028566312657,0.012104703894032011,0.006910209075198981,0.003938612108606208,0.0022515459644821202,0.98,1.2828654964691486,1.4449293807774104,1.534274412644203,1.584483290407638,1.6127025326850482,1.6287709714336873,1.637895296105968,1.643089790924801,1.646061387891394,1.6477484540355178,second
+276,10.5,92,2.178068477884398e+17,3.11,1.1346227261911428,152.2,Branched,Base,1,0.8431328419467049,0.6986611361517953,5.31,3.6763662322190087,3.1998804814802955,3.0614084462253395,3.021436617626795,3.0093946301218453,3.005628027288081,3.0051478878507822,3.0042376234599732,3.004272494259173,3.0050193357659927,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,1.32,2.953633767780991,3.4301195185197044,3.5685915537746604,3.608563382373205,3.6206053698781546,3.624371972711919,3.6248521121492177,3.6257623765400266,3.625727505740827,3.624980664234007,first
+271,3.13,96,2.984021897767461e+17,0.8,-0.2231435513142097,69.7,Ring,None,0,0.09340062645293182,0.06634563096306248,5.41,5.020495038484487,4.659033774317478,4.323583080284664,4.012235304007206,3.72330837702775,3.4552217064120976,3.206481689516748,2.9756817139889042,2.761502157766471,2.562710389078056,2.03,2.03,2.03,2.03,2.03,2.03,2.03,2.03,2.03,2.03,2.03,3.36,3.36,3.36,3.36,3.36,3.36,3.36,3.36,3.36,3.36,3.36,first
+274,3.65,94,2.3859648880119056e+17,3.18,1.1568811967920856,171.0,Ring,None,0,0.2864862865604673,0.157525902958244,9.05,8.05171575616297,7.907761415674105,7.88455362563436,7.880748764186174,7.8801234702334275,7.880020218945999,7.880003356859618,7.8800004636929755,7.880000115115411,7.880000111549375,1.17,0.1717157561629683,0.027761415674104006,0.004553625634359533,0.0007487641861738789,0.0001234702334267201,2.021894599888582e-05,3.35685961726075e-06,4.636929750721085e-07,1.1511541072205976e-07,1.1154937394191945e-07,3.62,4.618284243837032,4.762238584325896,4.785446374365641,4.789251235813826,4.789876529766573,4.789979781054002,4.789996643140383,4.789999536307025,4.7899998848845895,4.789999888450626,second
+270,4.54,99,3.0830027864773306e+17,3.07,1.1216775615991057,180.1,Linear,Acid,0,0.02165612958944909,0.017209416150697113,7.94,2.8932943802654103,2.1170203056161316,1.7499308363899562,1.5252259374196595,1.3690260448720895,1.252463016321141,1.1623914275423153,1.0887579013293178,1.0273077247261189,0.9752126683012259,0.33,0.33,0.33,0.33,0.33,0.33,0.33,0.33,0.33,0.33,0.33,2.23,3.9122352065781967,4.170993231461289,4.2933563878700145,4.368258020860114,4.420324651709303,4.459178994559619,4.489202857485894,4.51374736622356,4.534230758424626,4.551595777232924,third
+275,13.92,94,1.459665206352292e+17,3.85,1.3480731482996928,37.4,Unknown,Enzyme,0,0.2036379513715161,0.13916711620504046,2.45,0.9371831285473806,0.6879019401179454,0.5694789195455067,0.4961192092127545,0.4459301022852703,0.407973892322941,0.3783751018651267,0.3546620404294562,0.3348295927074375,0.31786575357680963,1.98,1.98,1.98,1.98,1.98,1.98,1.98,1.98,1.98,1.98,1.98,3.39,3.894272290484207,3.977366019960685,4.016840360151498,4.041293596929083,4.0580232992382435,4.070675369225687,4.080541632711625,4.088445986523515,4.095056802430855,4.1007114154743975,third
+276,5.64,98,4.676371580086416e+17,2.63,0.9669838461896731,141.0,Ring,Acid,1,0.13248198438514744,0.08014702481546822,1.21,1.0127237180807633,0.9205121717098443,0.8698206094535428,0.8414565486839989,0.8255040105177941,0.8163330219445768,0.8106899370017447,0.8076976392641946,0.8058803132706822,0.8047121579556833,1.37,1.2713618590403817,1.2252560858549222,1.1999103047267714,1.1857282743419997,1.1777520052588972,1.1731665109722884,1.1703449685008724,1.1688488196320974,1.1679401566353411,1.1673560789778417,1.04,1.1386381409596185,1.184743914145078,1.2100896952732287,1.2242717256580005,1.232247994741103,1.2368334890277117,1.2396550314991277,1.2411511803679027,1.242059843364659,1.2426439210221585,third
+274,4.16,97,6.097394957410897e+16,3.13,1.1410330045520618,52.1,Linear,Acid,1,0.01961784705876539,0.009809256636242495,2.43,2.2903041672844777,2.1702938942865804,2.0663125913251914,1.9753985468182274,1.8958470811862955,1.8261619864558924,1.7649296410933282,1.7108190100047256,1.6625816445360195,1.6190516824729584,4.35,4.35,4.35,4.35,4.35,4.35,4.35,4.35,4.35,4.35,4.35,2.19,2.2598479163577614,2.31985305285671,2.3718437043374045,2.4173007265908866,2.4570764594068524,2.4919190067720542,2.522535179453336,2.5495904949976373,2.5737091777319905,2.595474158763521,second
+272,5.05,100,2.67895420210772e+17,4.09,1.4085449700547104,95.7,Linear,Enzyme,0,0.016724761471914065,0.012410593256305507,6.22,4.573614658639382,3.8116982295204154,3.352148812167984,3.039794028733287,2.807630885513472,2.6265044257921257,2.4817544210571247,2.361750564185717,2.2596853358494253,2.1720315518179274,2.67,1.8468073293196912,1.4658491147602077,1.236074406083992,1.0798970143666435,0.9638154427567361,0.8732522128960629,0.8008772105285623,0.7408752820928586,0.6898426679247127,0.6460157759089638,3.87,4.693192670680309,5.074150885239792,5.3039255939160075,5.460102985633356,5.576184557243264,5.666747787103937,5.739122789471438,5.799124717907141,5.850157332075287,5.893984224091036,third
+273,4.33,100,2.6727485313744486e+17,2.9,1.0647107369924282,82.6,Linear,Enzyme,0,0.01962001263485428,0.016306193858744142,3.96,2.5262796154645315,1.9970352975959467,1.7046788515977531,1.5104815581604947,1.371082840065414,1.2646302894605868,1.1787306018816945,1.108548874222109,1.0499479170693555,0.9996434834246632,3.13,3.13,3.13,3.13,3.13,3.13,3.13,3.13,3.13,3.13,3.13,2.66,3.137906794845156,3.314321567468018,3.4117737161340824,3.4765061472798355,3.522972386644862,3.5584565701798043,3.5870897993727686,3.6104837085926302,3.6300173609768818,3.6467855055251124,third
+277,12.78,97,2.0556332135084915e+17,2.7,0.9932517730102834,78.4,Linear,None,0,0.10488958103046536,0.08853153358341827,5.98,5.498684373829728,5.056109143607604,4.649076463214168,4.274713229362888,3.9305192579707597,3.6141310856109437,3.3233198165193985,3.055991122594883,2.8101852433989545,2.584076986155969,4.01,4.01,4.01,4.01,4.01,4.01,4.01,4.01,4.01,4.01,4.01,3.74,4.221315626170273,4.663890856392396,5.070923536785832,5.445286770637113,5.789480742029241,6.105868914389057,6.396680183480602,6.664008877405118,6.909814756601046,7.135923013844032,first
+270,2.65,99,2.4135974711550326e+17,2.43,0.8878912573524571,61.7,Ring,None,0,0.016953983902110996,0.013731660361270834,1.07,0.9574219978856844,0.8673286584766631,0.7931796998218668,0.7310340545388978,0.6787549467209759,0.6343487791921154,0.5959227191175143,0.561684698003553,0.5308065314599131,0.5032466280124949,4.08,4.023710998942843,3.978664329238332,3.941589849910933,3.910517027269449,3.884377473360488,3.8621743895960576,3.8429613595587573,3.8258423490017766,3.8104032657299567,3.7966233140062475,3.25,3.306289001057158,3.351335670761668,3.388410150089067,3.419482972730551,3.445622526639512,3.4678256104039424,3.487038640441243,3.5041576509982235,3.5195967342700434,3.5333766859937525,third
+270,4.45,93,9.238460027559906e+16,2.58,0.9477893989335261,72.7,Unknown,Acid,0,0.09397627139447703,0.07953445035514131,5.0,4.637877690997926,4.30198214539569,3.9903806917119704,3.7013031125127545,3.4331783675119834,3.1845187963973642,2.953918184773335,2.7400517641610613,2.5416762119984373,2.357629651640087,0.47,0.47,0.47,0.47,0.47,0.47,0.47,0.47,0.47,0.47,0.47,3.13,3.4921223090020743,3.82801785460431,4.13961930828803,4.428696887487247,4.696821632488017,4.945481203602636,5.176081815226666,5.38994823583894,5.5883237880015635,5.772370348359914,first
+276,4.73,98,1.2303782218154062e+17,3.0,1.0986122886681098,64.1,Branched,Acid,0,0.034856714351891166,0.019778517754246744,7.08,6.959142499085372,6.861169901081276,6.78111626098868,6.715582155574845,6.6620127440150565,6.6180693155461245,6.581629172256024,6.551235436511073,6.526031684345593,6.505098522138087,0.68,0.5591424990853721,0.4611699010812753,0.381116260988681,0.3155821555748454,0.26201274401505725,0.21806931554612471,0.18162917225602415,0.15123543651107257,0.12603168434559386,0.10509852213808667,3.33,3.450857500914628,3.548830098918725,3.628883739011319,3.6944178444251548,3.7479872559849428,3.7919306844538756,3.828370827743976,3.858764563488928,3.8839683156544065,3.9049014778619138,second
+280,7.07,90,4.2087835502340826e+17,4.94,1.5973653311998313,47.8,Linear,Acid,0,6.820943930872404,4.860240852853429,2.12,0.009093296842766569,3.899459922385266e-05,1.6532028688718e-07,4.998055779591245e-07,-7.298465683150174e-07,1.5033105690015996e-06,-1.0862038651295378e-07,-5.331542077022403e-07,1.3983855733401842e-06,2.6523445321425757e-07,4.59,4.59,4.59,4.59,4.59,4.59,4.59,4.59,4.59,4.59,4.59,3.45,3.45,3.45,3.45,3.45,3.45,3.45,3.45,3.45,3.45,3.45,first
+279,13.55,96,4.718437650840815e+17,3.08,1.1249295969854831,45.6,Branched,Enzyme,0,0.501117553678887,0.32964055878067633,6.25,4.185416891335807,2.803069169960059,1.8753289660760417,1.2585156480591515,0.8425146220235109,0.5644977260510252,0.3784735976577683,0.2532804268107861,0.16995276489744515,0.113828488040421,3.09,3.09,3.09,3.09,3.09,3.09,3.09,3.09,3.09,3.09,3.09,3.49,3.49,3.49,3.49,3.49,3.49,3.49,3.49,3.49,3.49,3.49,first
+273,6.63,94,2.6282882825179075e+17,2.75,1.0116009116784799,133.7,Branched,Enzyme,1,0.2713124424294596,0.18793049430098988,4.36,1.9865145745439747,1.697060358406047,1.6411219743094634,1.6294431148235262,1.626548056653835,1.626161493515665,1.626027517124051,1.6260432541242569,1.625625244612335,1.6268132372901183,1.37,1.37,1.37,1.37,1.37,1.37,1.37,1.37,1.37,1.37,1.37,2.45,3.636742712728013,3.781469820796977,3.8094390128452686,3.8152784425882373,3.816725971673083,3.816919253242168,3.816986241437975,3.8169783729378723,3.817187377693833,3.8165933813549415,second
+278,2.77,91,2.622668896719915e+16,3.75,1.3217558399823195,57.6,Branched,Base,1,0.20880291962966915,0.17096755988245074,9.77,7.969109726470026,7.630496179177781,7.555247365902072,7.537880433255483,7.53377981481341,7.532827490254141,7.532713482798392,7.532512381854587,7.532668765307636,7.532598388098551,2.61,0.8091097264700267,0.47049617917778075,0.3952473659020717,0.37788043325548293,0.37377981481340944,0.37282749025414075,0.3727134827983916,0.3725123818545865,0.37266876530763593,0.37259838809854995,1.19,2.990890273529973,3.329503820822219,3.404752634097928,3.422119566744517,3.4262201851865903,3.4271725097458585,3.427286517201608,3.4274876181454133,3.4273312346923634,3.4274016119014497,second
+276,8.59,92,1.051751484623045e+17,4.53,1.5107219394949427,69.1,Unknown,Enzyme,1,0.40713422339835154,0.358732361008911,8.57,2.455055691913194,2.357280500123251,2.354445516885302,2.354859014239706,2.355724525511527,2.3554402857346775,2.3555439562195004,2.355735417973912,2.355848776959821,2.3547763784589324,4.39,4.39,4.39,4.39,4.39,4.39,4.39,4.39,4.39,4.39,4.39,3.18,6.237472154043402,6.2863597499383745,6.28777724155735,6.287570492880148,6.287137737244238,6.287279857132662,6.28722802189025,6.2871322910130445,6.28707561152009,6.287611810770535,second
+273,3.23,92,1.1251894844370664e+17,0.86,-0.15082288973458366,194.7,Ring,None,1,0.2803545141129834,0.18537087269072458,9.22,2.1723237012643026,1.697231342598489,1.611962398893012,1.5946506947628831,1.5911799827389383,1.5908123242336432,1.5899659764950338,1.5907771115889233,1.5902779719106062,1.5904701452709555,2.15,2.15,2.15,2.15,2.15,2.15,2.15,2.15,2.15,2.15,2.15,0.01,3.533838149367849,3.771384328700756,3.814018800553494,3.822674652618559,3.8244100086305317,3.824593837883179,3.8250170117524838,3.824611444205539,3.8248610140446977,3.8247649273645226,second
+273,6.25,97,3.230683614511181e+17,4.33,1.4655675420143985,22.1,Linear,None,0,0.0889330888584197,0.04495823171510512,2.18,1.9213784920138044,1.7211298401351907,1.5609258184400463,1.4307318313958755,1.323598238638095,1.233398129905166,1.155204988484982,1.0873714867440585,1.0281692661521658,0.9760309936093864,1.91,1.6513784920138044,1.4511298401351906,1.2909258184400463,1.1607318313958754,1.0535982386380949,0.963398129905166,0.8852049884849821,0.8173714867440585,0.7581692661521657,0.7060309936093864,3.7,3.9586215079861957,4.15887015986481,4.319074181559954,4.449268168604125,4.556401761361906,4.646601870094835,4.724795011515019,4.792628513255942,4.851830733847835,4.903969006390614,second
+276,13.46,97,3.025114904396924e+17,1.09,0.08617769624105241,31.3,Ring,None,0,0.13251116275707062,0.11356364275113866,9.92,8.713255478213664,8.279264967209532,8.105902304541237,8.033613439179634,8.0029355389497,7.989829345570492,7.9842168483354765,7.981810484151597,7.98077791512863,7.980334691495102,1.94,0.7332554782136645,0.29926496720953066,0.1259023045412357,0.05361343917963361,0.02293553894969871,0.009829345570491844,0.004216848335476717,0.001810484151597598,0.0007779151286300209,0.00033469149510102883,2.05,3.2567445217863353,3.690735032790469,3.8640976954587645,3.9363865608203663,3.967064461050301,3.980170654429508,3.9857831516645232,3.9881895158484024,3.98922208487137,3.989665308504899,second
+276,7.36,96,3.1350247488034874e+17,4.02,1.3912819026309295,104.1,Branched,Enzyme,1,0.21233145735183606,0.13806804922280375,5.96,2.2957259247043904,1.769866595373825,1.6328362025223393,1.592609821456967,1.5798752617654575,1.5763330766098593,1.5750986003389877,1.574842381770644,1.57454339008173,1.5747847517618383,2.35,2.35,2.35,2.35,2.35,2.35,2.35,2.35,2.35,2.35,2.35,1.62,3.452137037647805,3.7150667023130874,3.7835818987388303,3.8036950892715167,3.8100623691172713,3.8118334616950706,3.8124506998305066,3.812578809114678,3.812728304959135,3.812607624119081,second
+272,1.14,96,4.283025573635852e+16,2.86,1.0508216248317612,75.1,Linear,Base,0,0.015679403089043926,0.011433852808507648,1.15,1.1177526866048788,1.0872646156597408,1.0583955424131612,1.0310186069500238,1.0050222887752709,0.980306126480937,0.9567775861003704,0.9343520611082355,0.9129528724205112,0.892511268394491,0.71,0.71,0.71,0.71,0.71,0.71,0.71,0.71,0.71,0.71,0.71,1.91,1.9261236566975604,1.9413676921701295,1.9558022287934191,1.9694906965249879,1.982488855612364,1.9948469367595312,2.0066112069498145,2.0178239694458817,2.028523563789744,2.038744365802754,second
+274,8.13,97,3.700033435565199e+17,4.51,1.506297153514587,30.9,Unknown,Base,0,0.11904541293165372,0.0876651647936652,5.1,2.5881859058714283,1.7348812607701525,1.3050910043996529,1.045240917766034,0.872849228378698,0.7484896413503526,0.65516209591751,0.5832021166167491,0.5250671285103022,0.4773296865407796,0.22,0.22,0.22,0.22,0.22,0.22,0.22,0.22,0.22,0.22,0.22,0.05,1.3059070470642857,1.7325593696149235,1.9474544978001733,2.077379541116983,2.163575385810651,2.2257551793248234,2.272418952041245,2.308398941691625,2.3374664357448487,2.36133515672961,second
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+273,8.21,100,3.474404277363863e+17,4.09,1.4085449700547104,197.0,Linear,None,1,0.025504777206038064,0.016392222092128303,5.3,5.211964910638321,5.126831647403219,5.044504473826508,4.964890611447703,4.887901042925039,4.813449512030125,4.741452370245687,4.671828576765562,4.604499698494702,4.539389910049171,3.92,3.92,3.92,3.92,3.92,3.92,3.92,3.92,3.92,3.92,3.92,1.42,1.5080350893616785,1.5931683525967808,1.675495526173493,1.7551093885522975,1.8320989570749615,1.906550487969875,1.9785476297543132,2.048171423234438,2.115500301505299,2.1806100899508296,first
+274,7.53,100,2.2720730020001344e+17,3.37,1.2149127443642704,113.6,Linear,Acid,0,0.019588290031298916,0.016286271979925188,1.73,1.5281782883006407,1.3841002841922634,1.2736903371123616,1.186358927480125,1.1158851412018669,1.0568593118682883,1.005444853138071,0.9608185789127449,0.9216718625780363,0.8869387880994011,2.95,2.95,2.95,2.95,2.95,2.95,2.95,2.95,2.95,2.95,2.95,1.83,1.8972739038997866,1.9452999052692457,1.9821032209625464,2.0112136908399587,2.034704952932711,2.0543802293772373,2.07151838228731,2.0863938070290855,2.099442712473988,2.1110204039668665,third
+280,2.9,90,7.0923145138925336e+16,1.42,0.35065687161316933,137.0,Linear,Enzyme,0,1.1494123910620913,0.9787827308993499,4.08,0.8457474204465756,0.6429458151382972,0.553694934262463,0.5012257941737498,0.4664541423216869,0.4411965030131714,0.42223871728989354,0.4073603912852027,0.3953438318787205,0.38549831641083193,1.88,0.26287371022328765,0.16147290756914848,0.11684746713123137,0.09061289708687473,0.07322707116084332,0.060598251506585564,0.05111935864494663,0.04368019564260119,0.03767191593936012,0.03274915820541581,4.93,6.547126289776711,6.64852709243085,6.693152532868767,6.7193871029131245,6.736772928839156,6.749401748493414,6.758880641355053,6.766319804357398,6.772328084060639,6.777250841794583,third
+280,5.61,94,4.1879472734554144e+17,2.27,0.8197798314933114,164.6,Ring,Acid,1,1.2174552297356702,0.786978043931462,2.52,1.0785693318189455,1.071144797253375,1.0712463224187796,1.0695697103420898,1.0721116075913328,1.0708367525723828,1.0716144312322282,1.0714029911453389,1.0711377315260433,1.071590018344523,4.27,4.27,4.27,4.27,4.27,4.27,4.27,4.27,4.27,4.27,4.27,1.05,1.7707153340905273,1.7744276013733125,1.7743768387906103,1.7752151448289555,1.7739441962043339,1.7745816237138088,1.774192784383886,1.7742985044273307,1.7744311342369785,1.7742049908277386,second
+273,8.99,91,1.4491463371860688e+17,4.86,1.5810384379124025,115.9,Branched,Enzyme,0,0.5609662331898441,0.4071804132690219,5.3,0.6073826554556785,0.4308827499851333,0.3520017922764183,0.30486381062603773,0.27284345605241395,0.2491459197447777,0.2305603288111084,0.2157382561415554,0.20352761077097825,0.1930713695908188,2.46,2.46,2.46,2.46,2.46,2.46,2.46,2.46,2.46,2.46,2.46,2.75,4.314205781514774,4.373039083338289,4.39933273590786,4.415045396457987,4.425718847982529,4.433618026751741,4.43981322372963,4.444753914619482,4.448824129743008,4.4523095434697275,third
+279,11.9,95,2.6675309863664605e+17,3.51,1.2556160374777743,59.8,Unknown,None,0,0.4359920416735069,0.3202771582381319,6.03,4.2543786593755915,3.0006374150118864,2.116775721673176,1.4950583163502955,1.0540008037314545,0.7441004944391191,0.525443599804284,0.37040300874766763,0.26167678176075293,0.18474996476013247,4.34,4.34,4.34,4.34,4.34,4.34,4.34,4.34,4.34,4.34,4.34,1.64,3.415621340624408,4.6693625849881135,5.553224278326823,6.1749416836497035,6.615999196268544,6.92589950556088,7.144556400195715,7.299596991252332,7.408323218239246,7.485250035239868,first
+271,13.13,93,1.5514642046487667e+17,1.24,0.2151113796169455,65.1,Unknown,Enzyme,0,0.18388812098087082,0.13265834967481663,8.69,2.4493163488749907,1.4254211705589865,1.0057668876949184,0.7765082008012775,0.6325065217897656,0.5335089829721718,0.46170523583926254,0.4064184739274521,0.36312397614057546,0.32819140164735205,0.81,0.81,0.81,0.81,0.81,0.81,0.81,0.81,0.81,0.81,0.81,1.99,5.110341825562505,5.622289414720506,5.832116556152541,5.946745899599361,6.018746739105118,6.068245508513915,6.104147382080369,6.131790763036274,6.153438011929713,6.170904299176324,second
+279,9.55,91,3.616636894348671e+17,4.41,1.4838746894587547,48.4,Linear,Enzyme,0,3.31577286098699,2.6144819468466425,4.76,0.3603209442349259,0.1918961447856952,0.13298734945117072,0.1029829732508112,0.08489077946156035,0.072686812078053,0.06402773944434524,0.057499716041409764,0.05242300253143878,0.04837502122314845,4.74,0.3403209442349263,0.17189614478569562,0.11298734945117114,0.08298297325081162,0.06489077946156077,0.05268681207805343,0.04402773944434567,0.03749971604141019,0.032423002531439205,0.028375021223148875,4.54,8.939679055765074,9.108103855214305,9.167012650548829,9.197017026749188,9.215109220538439,9.227313187921947,9.235972260555654,9.24250028395859,9.247576997468562,9.251624978776851,second
+272,5.09,95,4.31201416922748e+17,1.05,0.04879016416943205,181.6,Branched,None,0,0.2456433946605049,0.19550927987857405,7.34,5.403589563403734,5.400012030628263,5.399999746497383,5.40000093957664,5.3999987275925925,5.400000259059122,5.4000024777100935,5.399999953012276,5.399998365916074,5.400001949677568,0.97,0.0017947817018659326,6.015314130184046e-06,-1.2675130917049395e-07,4.6978831893564425e-07,-6.362037046630604e-07,1.2952956020203415e-07,1.2388550460113184e-06,-2.3493862714460473e-08,-8.17041964333116e-07,9.748387824728382e-07,0.49,1.4582052182981342,1.45999398468587,1.4600001267513094,1.459999530211681,1.4600006362037048,1.45999987047044,1.459998761144954,1.460000023493863,1.4600008170419645,1.4599990251612178,third
+275,10.13,91,4.720986416413912e+17,4.38,1.4770487243883548,154.6,Ring,Enzyme,0,2.446195885252368,1.4544675715423019,7.1,0.29224260487506243,0.20673380840639924,0.16886895082739578,0.146133901309976,0.13081942530122306,0.11935428534870957,0.11048383866723382,0.10341177368822194,0.09750660506658859,0.09248110137010591,2.2,2.2,2.2,2.2,2.2,2.2,2.2,2.2,2.2,2.2,2.2,4.52,6.7892524650416455,6.817755397197867,6.830377016390868,6.837955366230007,6.843060191566258,6.846881904883763,6.8498387204442555,6.852196075437259,6.854164464977804,6.855839632876632,third
+273,10.41,99,4.546974248479317e+17,2.33,0.8458682675776092,30.6,Branched,None,1,0.05185686594412749,0.044839934544944886,2.39,2.44889021453705,2.5033964719205786,2.553845153443547,2.600543719247555,2.643768677078191,2.6837720506262377,2.72079156800724,2.7550506617615063,2.786758468854107,2.8161098306748773,2.77,2.77,2.77,2.77,2.77,2.77,2.77,2.77,2.77,2.77,2.77,4.47,4.41110978546295,4.356603528079422,4.306154846556454,4.259456280752446,4.21623132292181,4.176227949373763,4.139208431992761,4.1049493382384945,4.073241531145894,4.043890169325124,first
+279,9.29,91,3.456616117412454e+17,3.08,1.1249295969854831,56.8,Unknown,None,0,3.1690640359489386,1.9857487478373448,3.25,0.25798484879109845,0.02051823138403988,0.001627784573440938,0.00012975453379707492,1.038710534686293e-05,9.339582228485013e-07,1.3626077965343414e-07,3.091205502677906e-07,-1.2172998111492563e-06,1.1205942730025532e-06,2.52,2.52,2.52,2.52,2.52,2.52,2.52,2.52,2.52,2.52,2.52,3.78,3.78,3.78,3.78,3.78,3.78,3.78,3.78,3.78,3.78,3.78,first
+273,2.84,97,4.749713386770049e+17,1.1,0.09531017980432493,108.8,Linear,None,0,0.13074839045839487,0.10401537539605632,4.69,4.406653410939356,4.237173553739227,4.132060958339869,4.065165007143948,4.022054997143722,3.994002998866514,3.9755894639684453,3.963536614927855,3.9555474463426274,3.950294476394625,0.75,0.4666534109393547,0.2971735537392263,0.19206095833986817,0.1251650071439471,0.0820549971437207,0.05400299886651301,0.035589463968444285,0.023536614927853382,0.015547446342626278,0.010294476394623827,0.63,0.9133465890606454,1.0828264462607735,1.1879390416601319,1.254834992856053,1.2979450028562793,1.3259970011334872,1.344410536031556,1.3564633850721468,1.364452553657374,1.3697055236053763,second
+276,3.17,96,4.496126268084076e+16,1.96,0.6729444732424258,155.1,Ring,Acid,0,0.03045172269547545,0.02428781702120252,2.33,2.1267849140005657,1.9502757574538818,1.7953366511221813,1.658256277369905,1.5367648190552576,1.428753948224473,1.3322533226342714,1.2454305857518593,1.1665913667549286,1.0941792805316584,3.85,3.646784914000566,3.470275757453882,3.3153366511221813,3.178256277369905,3.0567648190552577,2.948753948224473,2.8522533226342714,2.7654305857518593,2.6865913667549286,2.6141792805316584,2.68,2.883215085999434,3.0597242425461184,3.214663348877819,3.3517437226300952,3.4732351809447426,3.581246051775527,3.677746677365729,3.764569414248141,3.8434086332450716,3.915820719468342,second
+278,9.57,98,4.0244625399092314e+17,2.44,0.8919980393051105,24.7,Linear,Acid,0,0.15502179721153692,0.09932674839339785,2.67,2.358582252098774,2.083488517373932,1.8401858230550585,1.6249167181347834,1.4348682990555015,1.2673570331290507,1.1198229157985904,0.9898294706385995,0.8750637493548761,0.7733363317845394,2.21,2.21,2.21,2.21,2.21,2.21,2.21,2.21,2.21,2.21,2.21,3.08,3.391417747901226,3.666511482626068,3.9098141769449417,4.1250832818652166,4.315131700944499,4.48264296687095,4.63017708420141,4.7601705293614005,4.874936250645124,4.97666366821546,first
+277,1.47,91,1.9492585051694154e+17,4.83,1.5748464676644813,123.3,Unknown,None,0,1.3462734225073345,1.0283132168113984,3.09,0.4047502221838382,0.2167836966865912,0.14797036363472846,0.11221923024641654,0.09050940606702859,0.07573021053259049,0.06521084434729717,0.05718248218860349,0.05091720955997775,0.045892587847156815,2.17,2.17,2.17,2.17,2.17,2.17,2.17,2.17,2.17,2.17,2.17,3.05,4.392624888908082,4.486608151656705,4.521014818182637,4.538890384876793,4.549745296966487,4.557134894733706,4.562394577826352,4.566408758905699,4.569541395220012,4.572053706076423,second
+279,13.33,96,1.5774778383575027e+17,2.96,1.085189268335969,165.9,Linear,Acid,0,0.16753465740921783,0.1478290653820762,4.18,3.6556828149836917,3.197137542247213,2.7955927538043333,2.4436372490821627,2.1360323971719777,1.8677876113754477,1.6341187744313266,1.430448238515449,1.2524048252407327,1.095846666536893,2.51,2.51,2.51,2.51,2.51,2.51,2.51,2.51,2.51,2.51,2.51,0.45,0.45,0.45,0.45,0.45,0.45,0.45,0.45,0.45,0.45,0.45,first
+276,4.4,92,3.257537069680161e+17,1.9,0.6418538861723947,130.0,Unknown,Base,0,1.2609963897801515,0.9226992166477238,4.31,0.4461820181576831,0.2350442551345502,0.15960575911542277,0.12089559052261484,0.09726239686685895,0.08136257031642745,0.06989196755385126,0.06134202508979811,0.054597695222811535,0.04918043355381814,3.04,3.04,3.04,3.04,3.04,3.04,3.04,3.04,3.04,3.04,3.04,1.84,3.7719089909211587,3.877477872432725,3.9151971204422886,3.9345522047386927,3.9463688015665705,3.954318714841786,3.960054016223074,3.964328987455101,3.967701152388594,3.970409783223091,second
+273,12.81,92,1.9589200635485274e+17,4.75,1.55814461804655,44.4,Branched,Base,0,0.4880885310415813,0.2512765576000994,8.41,0.6524611784279372,0.46234289314664745,0.37749831026698605,0.32713007852037235,0.2925236215383609,0.2672635809878765,0.24733187515053195,0.23131781811384555,0.21815281451211638,0.20698919341550676,2.62,2.62,2.62,2.62,2.62,2.62,2.62,2.62,2.62,2.62,2.62,3.39,5.9758462738573535,6.0392190356177835,6.067500563244337,6.084289973826541,6.095825459487211,6.10424547300404,6.110889374949821,6.11622739396205,6.1206157284959595,6.124336935528163,third
+272,11.45,96,1.4166144338441088e+17,1.14,0.131028262406404,122.0,Unknown,Enzyme,1,0.051859762096036446,0.045648524884425876,1.89,1.6751019999267172,1.515168632118124,1.3940124977991466,1.3018389041824339,1.231891122838329,1.1778844989046378,1.1351580972543398,1.1018869729189158,1.0760402406280971,1.055798486290125,4.75,4.5351019999267175,4.3751686321181245,4.254012497799147,4.161838904182434,4.091891122838329,4.0378844989046385,3.995158097254341,3.961886972918917,3.936040240628098,3.915798486290126,3.37,3.5848980000732826,3.7448313678818757,3.8659875022008534,3.958161095817566,4.028108877161671,4.082115501095362,4.12484190274566,4.158113027081084,4.183959759371903,4.204201513709875,second
+273,8.05,96,4.1640137426375206e+17,4.84,1.5769147207285403,194.0,Ring,Acid,1,0.17808350303512316,0.08909417587623292,1.1,1.1778627690126826,1.2293887394512188,1.2633008462295363,1.2851765975450364,1.2987078128295118,1.307707820641222,1.3135530688097796,1.31701419540239,1.3192354044101338,1.3207583036557715,1.14,1.2178627690126824,1.2693887394512187,1.3033008462295361,1.325176597545036,1.3387078128295116,1.3477078206412219,1.3535530688097794,1.3570141954023898,1.3592354044101336,1.3607583036557713,3.83,3.7521372309873176,3.700611260548781,3.666699153770464,3.6448234024549637,3.6312921871704886,3.6222921793587783,3.6164469311902203,3.6129858045976104,3.6107645955898664,3.6092416963442284,second
+273,9.67,97,3.949170162992183e+17,2.4,0.8754687373538999,121.0,Unknown,None,0,0.10871132643409398,0.08257090853865602,2.22,0.8226346689387407,0.5188493436694015,0.38162712320567155,0.3027625437540928,0.25096589327657204,0.21467787162725313,0.1876681874769577,0.1666021386531048,0.14990179170751056,0.13627377777327482,4.89,4.19131733446937,4.0394246718347,3.970813561602835,3.931381271877046,3.905482946638285,3.887338935813626,3.873834093738478,3.8633010693265515,3.8549508958537544,3.8481368888866365,3.22,3.9186826655306297,4.070575328165299,4.139186438397164,4.178618728122954,4.204517053361714,4.222661064186374,4.236165906261522,4.246698930673448,4.255049104146245,4.261863111113363,third
+278,9.95,90,4.1074478183462637e+17,4.44,1.4906543764441336,111.8,Ring,Enzyme,0,5.040415410317688,4.1276760541237945,4.24,0.07545683679268526,0.0013446688589336892,2.381390155744093e-05,3.663101125852831e-07,2.761650053577821e-07,1.2208186887159072e-06,3.147388932994027e-08,-6.922443214536202e-07,-7.506755603180034e-07,4.1967884862142944e-07,0.69,0.69,0.69,0.69,0.69,0.69,0.69,0.69,0.69,0.69,0.69,0.03,0.03,0.03,0.03,0.03,0.03,0.03,0.03,0.03,0.03,0.03,first
+276,8.48,91,4.871713353080132e+17,4.22,1.4398351280479205,70.0,Branched,Enzyme,0,2.9158755278596473,2.0745495956109856,2.58,0.26648445186708014,0.1889579853810834,0.15443597223673375,0.13370264171109197,0.11970698241806682,0.10925170626086289,0.10112709079254242,0.09465368178101333,0.08927115019491265,0.08467369210111482,1.37,1.37,1.37,1.37,1.37,1.37,1.37,1.37,1.37,1.37,1.37,1.0,1.7711718493776398,1.797014004872972,1.808521342587755,1.815432452762969,1.8200976725273108,1.823582764579712,1.8262909697358187,1.8284487727396619,1.8302429499350288,1.8317754359662946,third
+276,11.63,90,4.56883640100412e+17,2.57,0.9439058989071284,140.3,Linear,None,0,4.2282011383856135,3.119280071878547,1.12,0.038160030856902616,0.0012990472294967313,4.422661537699958e-05,1.5297970851729392e-06,1.8567041054329683e-07,2.889994703359088e-07,1.5880229932721614e-06,8.897494179809621e-07,2.161791858316526e-07,5.224033256674599e-07,0.15,0.15,0.15,0.15,0.15,0.15,0.15,0.15,0.15,0.15,0.15,0.67,0.67,0.67,0.67,0.67,0.67,0.67,0.67,0.67,0.67,0.67,first
+276,3.95,99,1.4039947705827467e+17,3.55,1.2669476034873244,174.8,Linear,Base,0,0.02572471220852633,0.01965804856555314,6.1,4.875414144316444,4.062294655431593,3.478986679211874,3.0466849759675156,2.7095591453162693,2.436893612222601,2.2151726070877764,2.0318315993550904,1.8762549112390952,1.7417499029338046,0.91,0.91,0.91,0.91,0.91,0.91,0.91,0.91,0.91,0.91,0.91,4.8,5.412292927841778,5.818852672284203,6.110506660394063,6.326657512016242,6.495220427341866,6.631553193888699,6.742413696456111,6.8340842003224544,6.9118725443804525,6.979125048533098,second
+274,12.16,100,4.269044811517689e+17,2.47,0.9042181506398859,60.1,Linear,None,1,0.03680484203236677,0.02829472022094581,9.54,6.174339122206682,4.633843785396186,3.769739275788798,3.234474795591229,2.874722582277167,2.6273407717418134,2.44771229008082,2.3162370957423795,2.2197538893422983,2.146492190240498,1.79,1.79,1.79,1.79,1.79,1.79,1.79,1.79,1.79,1.79,1.79,0.88,2.562830438896659,3.333078107301907,3.7651303621056007,4.032762602204386,4.212638708861417,4.3363296141290935,4.42614385495959,4.49188145212881,4.540123055328851,4.576753904879752,second
+279,12.41,93,2.3791658746747085e+17,4.06,1.4011829736136412,135.1,Branched,Base,0,0.9209778782187452,0.5714741630690714,3.38,0.341605344526272,0.19346936921073923,0.13622543598769798,0.10545358617810761,0.08610411736342467,0.07287222392071717,0.06319815536926227,0.055760400697150755,0.04994323248980625,0.04523662958179002,3.09,1.5708026722631356,1.4967346846053693,1.4681127179938485,1.4527267930890533,1.443052058681712,1.4364361119603581,1.4315990776846306,1.4278802003485749,1.4249716162449027,1.4226183147908944,2.72,4.239197327736863,4.313265315394631,4.341887282006151,4.357273206910946,4.366947941318288,4.373563888039642,4.378400922315368,4.3821197996514245,4.385028383755096,4.387381685209104,third
+272,4.47,92,1.7663513626976477e+17,4.06,1.4011829736136412,118.9,Unknown,None,0,0.3791754139956157,0.3309820460639201,1.32,0.3924100233586142,0.23651055764818224,0.17018730417636774,0.1330235553172187,0.10945066260446283,0.09288796161924578,0.08083534795432959,0.07151013122921679,0.0641035944368135,0.0580959350409682,3.29,2.826205011679307,2.7482552788240913,2.715093652088184,2.6965117776586096,2.6847253313022317,2.676443980809623,2.6704176739771652,2.6657550656146087,2.662051797218407,2.6590479675204843,0.77,1.233794988320693,1.311744721175909,1.3449063479118162,1.3634882223413907,1.3752746686977688,1.3835560191903773,1.3895823260228353,1.3942449343853918,1.3979482027815935,1.4009520324795162,third
+272,6.9,98,4.734208681438406e+17,2.36,0.8586616190375187,23.2,Ring,Base,0,0.07157051594146832,0.05561924475861023,5.88,3.5316915114960326,2.5168535218500625,1.9535578173166268,1.5993390296570977,1.351268632477874,1.1713040351134443,1.0336373880977354,0.9241535896751438,0.8358789614389074,0.7630035889210127,1.45,1.45,1.45,1.45,1.45,1.45,1.45,1.45,1.45,1.45,1.45,4.04,5.214154244251984,5.721573239074968,6.003221091341686,6.18033048517145,6.304365683761062,6.394347982443277,6.463181305951132,6.517923205162427,6.5620605192805455,6.598498205539493,second
+279,5.55,94,3.2376007199367725e+17,0.6,-0.5108256237659907,124.9,Unknown,Base,0,0.8143668201021724,0.4579403280292491,9.74,0.5059770643525998,0.3582426698475008,0.29241822831143777,0.253360536483055,0.22654389809020034,0.20696803690186616,0.19152145372290716,0.17911720777341208,0.1689235437000036,0.16027871393764964,1.2,1.2,1.2,1.2,1.2,1.2,1.2,1.2,1.2,1.2,1.2,1.46,4.5380076452158,4.587252443384167,4.609193923896188,4.622213154505649,4.631152033969934,4.637677321032712,4.642826182092365,4.646960930742196,4.650358818766666,4.65324042868745,third
+279,6.04,99,3.923090433388304e+17,2.29,0.8285518175661483,85.4,Ring,Enzyme,0,0.11431063394533471,0.05890857145214386,5.4,5.125403536858398,4.961071173346763,4.85955124724499,4.795562320584555,4.754706671693162,4.728474340810711,4.711472515628637,4.700501146356046,4.693333844271116,4.688695981145285,0.72,0.44540353685839745,0.28107117334676346,0.17955124724499047,0.11556232058455447,0.0747066716931621,0.04847434081071033,0.03147251562863723,0.020501146356046402,0.013333844271116427,0.008695981145284836,0.86,1.1345964631416026,1.2989288266532364,1.4004487527550094,1.4644376794154454,1.5052933283068377,1.5315256591892896,1.5485274843713626,1.5594988536439534,1.5666661557288835,1.571304018854715,second
+271,10.45,93,2.60692233910076e+17,1.73,0.5481214085096876,188.4,Unknown,Enzyme,0,0.308986858377968,0.20113547787177743,6.27,1.5332091208145737,0.8730368254703281,0.610408936164824,0.46964128060650523,0.38122334034024324,0.32117920039552716,0.27707348246111974,0.2439415242578169,0.21786925959693404,0.19668444637671847,3.6,3.6,3.6,3.6,3.6,3.6,3.6,3.6,3.6,3.6,3.6,1.49,3.8583954395927123,4.188481587264835,4.319795531917587,4.390179359696747,4.434388329829877,4.464410399802236,4.486463258769439,4.5030292378710906,4.516065370201533,4.52665777681164,second
+277,1.62,93,2.4824721791299888e+17,4.01,1.3887912413184778,40.6,Linear,None,0,0.7194310669457424,0.4565197836063904,2.09,0.5585483185379213,0.22650793225023938,0.1033449778457178,0.04941616175623303,0.02414841245129786,0.011934655982550831,0.005927366534522723,0.002945302900093378,0.0014670794617469324,0.0007324383105307799,3.3,1.7685483185379214,1.4365079322502394,1.3133449778457178,1.259416161756233,1.2341484124512978,1.2219346559825508,1.2159273665345227,1.2129453029000934,1.2114670794617468,1.210732438310531,0.3,1.8314516814620785,2.1634920677497607,2.286655022154282,2.340583838243767,2.365851587548702,2.3780653440174486,2.3840726334654767,2.3870546970999063,2.3885329205382524,2.3892675616894685,second
+272,2.86,98,4.473539484439394e+16,2.33,0.8458682675776092,110.8,Linear,Enzyme,0,0.00676297878970089,0.00498606837845931,2.24,2.1898533757130707,2.1414004098284476,2.0945592984356147,2.0492530946994436,2.0054105216380504,1.9629644560553372,1.9218513825619228,1.8820113935751415,1.8433881893190447,1.8059290778243993,4.21,4.1598533757130705,4.111400409828447,4.064559298435614,4.019253094699443,3.97541052163805,3.932964456055337,3.8918513825619225,3.8520113935751414,3.813388189319044,3.775929077824399,1.65,1.7001466242869294,1.7485995901715528,1.7954407015643854,1.8407469053005563,1.8845894783619495,1.9270355439446627,1.9681486174380771,2.0079886064248584,2.046611810680955,2.0840709221756004,second
+273,12.69,94,1.7151600206204144e+17,3.58,1.275362800412609,62.8,Ring,None,0,0.17705221206027136,0.09369534242156118,5.78,2.1988469818026837,1.35631978616129,0.9813635018586769,0.768139411435308,0.6314521210772385,0.5356769082800142,0.4657891246018184,0.4114948791282633,0.36857077759994117,0.33377049830561045,1.85,1.85,1.85,1.85,1.85,1.85,1.85,1.85,1.85,1.85,1.85,2.92,4.710576509098658,5.131840106919355,5.319318249070662,5.425930294282346,5.494273939461381,5.542161545859993,5.577105437699092,5.604252560435868,5.62571461120003,5.643114750847195,second
+280,1.12,90,4.6761960561087405e+17,4.3,1.4586150226995167,147.6,Linear,Base,1,7.578453661916256,6.06483179778172,1.44,1.009576279934579,1.0113951063071038,1.010053781382621,1.0112174246188896,1.0104862918306754,1.0108176915794362,1.0103986600070556,1.0104424570252744,1.010663669074989,1.0107218990084932,3.22,3.0047881399672907,3.0056975531535537,3.0050268906913113,3.005608712309446,3.00524314591534,3.00540884578972,3.005199330003529,3.005221228512639,3.0053318345374964,3.005360949504249,3.62,3.8352118600327096,3.8343024468464466,3.834973109308689,3.834391287690554,3.8347568540846604,3.83459115421028,3.834800669996471,3.834778771487361,3.834668165462504,3.8346390504957513,third
+274,7.6,95,4.387350400808119e+17,2.11,0.7466879474879751,37.9,Unknown,Acid,0,0.339623594003708,0.2523242714547836,3.59,3.318301124797033,3.046602249594067,2.7749033743911005,2.5032044991881337,2.2315056239851674,1.9598067487822006,1.688107873579235,1.4164089983762682,1.1447101231733021,0.8730112479703358,1.32,1.32,1.32,1.32,1.32,1.32,1.32,1.32,1.32,1.32,1.32,0.62,0.8916988752029664,1.1633977504059332,1.4350966256088995,1.706795500811866,1.9784943760148326,2.2501932512177993,2.5218921264207648,2.7935910016237315,3.065289876826698,3.336988752029664,zero
+276,4.39,90,4.986974983993189e+17,1.64,0.494696241836107,118.3,Ring,None,1,4.61516488088442,3.896479721487666,3.42,1.6146522681204003,1.6141827341726462,1.617078997799535,1.615536212505339,1.6143993832133565,1.6143611995654885,1.6167830493014388,1.614043023095311,1.6134131294350174,1.6171773693752933,4.49,2.684652268120401,2.6841827341726465,2.6870789977995364,2.6855362125053395,2.6843993832133575,2.684361199565489,2.686783049301439,2.684043023095311,2.6834131294350176,2.6871773693752936,3.33,5.135347731879598,5.1358172658273515,5.132921002200463,5.134463787494661,5.135600616786642,5.135638800434511,5.13321695069856,5.135956976904687,5.136586870564981,5.1328226306247045,second
+272,8.46,91,4.666468721739954e+17,1.68,0.5187937934151675,62.5,Unknown,Acid,0,1.5588254393179455,1.1504258344340557,1.51,0.26293964854564345,-0.9841207029087126,-2.231181054363069,-3.478241405817425,-4.725301757271781,-5.97236210872614,-7.219422460180494,-8.466482811634853,-9.713543163089208,-10.960603514543568,1.95,1.95,1.95,1.95,1.95,1.95,1.95,1.95,1.95,1.95,1.95,2.81,4.057060351454357,5.304120702908714,6.55118105436307,7.798241405817426,9.045301757271783,10.292362108726142,11.539422460180496,12.786482811634853,14.033543163089208,15.280603514543568,zero
+279,12.97,90,3.7428455575108845e+17,3.47,1.244154593958768,167.1,Ring,Acid,0,5.280918499619445,4.6242082156240265,5.27,0.07744246840446989,0.001136871987265235,1.6936750723617787e-05,4.066937634072531e-07,-6.110720857728563e-07,-5.500871485312996e-07,4.595229762194604e-07,1.3986611369665219e-06,-1.976694439585201e-07,1.872795915379328e-07,3.5,3.5,3.5,3.5,3.5,3.5,3.5,3.5,3.5,3.5,3.5,3.33,3.33,3.33,3.33,3.33,3.33,3.33,3.33,3.33,3.33,3.33,first
+272,5.04,99,3.753187205707346e+17,3.65,1.2947271675944,123.8,Branched,Base,1,0.036462036721852525,0.03248042156495538,2.18,2.0962246324205562,2.032379117726468,1.9832685601800721,1.9447968494926426,1.9151178141504182,1.8926739865337203,1.8756996534301889,1.8622208560347824,1.8509713507579542,1.8421276599081242,3.09,3.09,3.09,3.09,3.09,3.09,3.09,3.09,3.09,3.09,3.09,3.49,3.5318876837897224,3.5638104411367664,3.588365719909964,3.6076015752536787,3.6224410929247908,3.63366300673314,3.6421501732849055,3.648889571982609,3.6545143246210228,3.658936170045938,second
+272,6.05,96,3.413799224285936e+17,4.7,1.547562508716013,124.0,Linear,None,0,0.12497318351803877,0.0782887689439853,2.34,1.1320600736824735,0.8518498064774501,0.7116760747389245,0.6234361889474289,0.561847381196848,0.5150454076757676,0.4786452440127515,0.44913140416542996,0.424208374741655,0.40301378020324774,3.21,3.21,3.21,3.21,3.21,3.21,3.21,3.21,3.21,3.21,3.21,0.66,1.0626466421058423,1.1560500645075167,1.202774641753692,1.232187937017524,1.2527175396010508,1.2683181974414108,1.280451585329083,1.2902895319448568,1.2985972084194486,1.3056620732655841,third
+273,11.09,92,3.13741725254768e+16,2.14,0.7608058290337602,189.0,Unknown,Enzyme,0,0.07817253018923791,0.06694285064816305,9.91,9.309229256437533,8.744879190833187,8.214734747972745,7.716694905108708,7.248849215635088,6.809391620060273,6.396605619166197,6.008864274008335,5.644630205915707,5.302455596490878,4.63,4.63,4.63,4.63,4.63,4.63,4.63,4.63,4.63,4.63,4.63,4.84,4.84,4.84,4.84,4.84,4.84,4.84,4.84,4.84,4.84,4.84,first
+272,6.84,97,2.235686704974658e+17,1.35,0.30010459245033816,58.1,Linear,Base,0,0.05259491387221165,0.03927258926155478,3.83,3.787924068902231,3.7458481378044617,3.7037722067066925,3.661696275608923,3.6196203445111537,3.5775444134133845,3.535468482315615,3.4933925512178456,3.4513166201200765,3.409240689022307,2.51,2.51,2.51,2.51,2.51,2.51,2.51,2.51,2.51,2.51,2.51,1.6,1.6420759310977693,1.6841518621955387,1.726227793293308,1.7683037243910773,1.8103796554888467,1.8524555865866161,1.8945315176843853,1.9366074487821547,1.9786833798799242,2.0207593109776933,zero
+275,13.19,94,2.7272085789458614e+17,3.94,1.3711807233098425,144.3,Unknown,None,1,0.38047297802433294,0.2958720022671825,3.12,2.7006647312858174,2.4571579406814497,2.3147461734096155,2.232821928721685,2.184111015848196,2.156672915926945,2.14006373156137,2.1303802147614035,2.125369289945293,2.122052187656155,0.26,0.26,0.26,0.26,0.26,0.26,0.26,0.26,0.26,0.26,0.26,1.72,2.1393352687141824,2.38284205931855,2.5252538265903843,2.607178071278315,2.655888984151804,2.683327084073055,2.6999362684386297,2.7096197852385964,2.7146307100547067,2.7179478123438447,first
+278,13.24,99,1.9830621835150086e+17,2.89,1.0612565021243408,78.3,Ring,Base,0,0.04955871489838494,0.02713924534456786,3.5,2.739366192590687,2.2520977962413196,1.9103054369754076,1.6612204549682645,1.4683323392784178,1.314872831572093,1.1914246641638016,1.0896753283054454,1.0031920685651456,0.929271702037226,1.11,1.11,1.11,1.11,1.11,1.11,1.11,1.11,1.11,1.11,1.11,2.75,3.1303169037046565,3.37395110187934,3.544847281512296,3.6693897725158675,3.765833830360791,3.842563584213953,3.9042876679180987,3.9551623358472767,3.9984039657174266,4.035364148981387,second
+274,6.23,91,4.43519174242543e+17,0.82,-0.19845093872383832,122.1,Branched,None,0,1.9873985220714505,1.7822114601119783,4.93,0.7925200715734174,0.5536128851295611,0.4794552944953727,0.4485511100664946,0.434178954868205,0.42716310431062504,0.4236502218798203,0.42186344451243435,0.42095403862560776,0.4204900307169729,4.51,0.37252007157341727,0.13361288512956088,0.05945529449537248,0.028551110066494356,0.014178954868204766,0.007163104310624803,0.003650221879820046,0.0018634445124340606,0.0009540386256074724,0.0004900307169725722,3.04,7.177479928426583,7.416387114870439,7.490544705504627,7.521448889933505,7.535821045131795,7.542836895689375,7.546349778120179,7.548136555487566,7.549045961374392,7.549509969283027,second
+270,7.36,94,1.69609501028983e+17,3.55,1.2669476034873244,161.0,Linear,Acid,0,0.11050964542551388,0.06537004049621553,4.7,4.611592283659589,4.523184567319178,4.434776850978767,4.346369134638356,4.257961418297945,4.1695537019575335,4.081145985617122,3.9927382692767113,3.9043305529362997,3.8159228365958886,0.12,0.12,0.12,0.12,0.12,0.12,0.12,0.12,0.12,0.12,0.12,0.59,0.6784077163404112,0.7668154326808223,0.8552231490212334,0.9436308653616445,1.0320385817020556,1.120446298042467,1.208854014382878,1.2972617307232892,1.3856694470637003,1.4740771634041114,zero
+279,4.78,96,3.312298710699007e+16,2.05,0.7178397931503168,53.7,Linear,Enzyme,0,0.03517797944545132,0.026877251634362956,5.75,2.246275417664683,1.651739418838106,1.3681674170417322,1.192345629925582,1.0718948361267029,0.9809187295194373,0.9097573630500766,0.8527534623753332,0.805221853773188,0.7644611143836532,0.32,0.32,0.32,0.32,0.32,0.32,0.32,0.32,0.32,0.32,0.32,2.83,3.9979081941117722,4.196086860387298,4.29061086098609,4.349218123358139,4.389368387957766,4.419693756826854,4.443414212316641,4.462415512541556,4.478259382075604,4.491846295205449,third
+279,12.45,96,9.323624107425464e+16,0.55,-0.5978370007556204,197.7,Ring,None,0,0.09902073630880687,0.061482829445393974,5.03,1.396531077505786,1.0065849544668126,0.8278369237630551,0.7191709404367079,0.6447953707488392,0.5890654691650824,0.5461513544554051,0.5114359239650398,0.4823312831997881,0.4576909559195315,1.42,1.42,1.42,1.42,1.42,1.42,1.42,1.42,1.42,1.42,1.42,2.61,3.8211563074980717,3.951138348511063,4.010721025412315,4.046943019854431,4.071734876417054,4.090311510278306,4.104616215181532,4.116188025344988,4.125889572266738,4.1341030146934905,third
+277,6.63,92,4.656782108302922e+17,3.51,1.2556160374777743,132.2,Branched,Enzyme,0,2.0833883617889137,1.4610092896300213,7.47,1.4110180536896963,0.26691923897170045,0.05055555403365555,0.009557591877251735,0.0018070403511522906,0.0003425926144510642,6.45736719516567e-05,1.2284952323558133e-05,2.313896634811129e-06,5.181810563627841e-07,3.76,3.76,3.76,3.76,3.76,3.76,3.76,3.76,3.76,3.76,3.76,4.58,10.638981946310302,11.7830807610283,11.999444445966345,12.040442408122749,12.04819295964885,12.04965740738555,12.04993542632805,12.049987715047678,12.049997686103366,12.049999481818945,first
+271,1.23,92,5.899985698790842e+16,4.33,1.4655675420143985,104.1,Linear,Enzyme,1,0.10899776293975875,0.07482328186562089,7.33,1.5332251708015163,1.296259316810166,1.239690930787384,1.2240775405117852,1.2193989764757718,1.2177745998800358,1.2176445528475812,1.217249508499412,1.2172171962125986,1.2176040258953225,3.19,3.19,3.19,3.19,3.19,3.19,3.19,3.19,3.19,3.19,3.19,0.59,2.5222582763994943,2.6012468943966116,2.620103023070872,2.625307486496072,2.6268670078414096,2.627408466706655,2.6274518157174733,2.627583497166863,2.6275942679291338,2.6274653247015594,third
+272,1.63,97,3.428947493294471e+16,3.52,1.2584609896100056,174.9,Linear,Base,1,0.008066657894456774,0.007118878815239203,6.79,5.297146438266651,4.508962170053857,3.995775806734052,3.6347331904699485,3.3678704101626478,3.1634773216663916,2.998981813165204,2.865342572340819,2.7554000315019174,2.6633867639621496,3.76,3.0135732191333253,2.6194810850269277,2.3628879033670254,2.1823665952349733,2.0489352050813228,1.946738660833195,1.8644909065826014,1.7976712861704087,1.742700015750958,1.6966933819810741,4.15,4.896426780866675,5.290518914973072,5.547112096632975,5.727633404765027,5.861064794918677,5.963261339166805,6.045509093417398,6.112328713829592,6.167299984249042,6.213306618018926,third
+277,4.09,99,8.49316767937235e+16,3.09,1.128171090909654,70.8,Unknown,Enzyme,1,0.018184333441973465,0.015733599041910497,7.74,6.417419449722791,5.523678241048524,4.882273735281343,4.411297880424382,4.051794911905026,3.767449601743904,3.5431428878848847,3.36457886824128,3.219201110165147,3.0988817263315713,2.79,2.79,2.79,2.79,2.79,2.79,2.79,2.79,2.79,2.79,2.79,4.45,5.111290275138605,5.558160879475739,5.878863132359329,6.1143510597878095,6.294102544047488,6.4362751991280485,6.548428556057559,6.6377105658793605,6.710399444917427,6.7705591368342155,second
+271,7.48,96,2.704584731621978e+17,4.72,1.5518087995974639,162.5,Ring,Base,1,0.0846541737570763,0.06483358592809434,1.05,1.0704832439919438,1.0886574727020266,1.104782862173524,1.1190997709427222,1.1318109199377522,1.1430828536647117,1.153071697009991,1.1619232952091478,1.1697732138469075,1.176746738857163,4.77,4.77,4.77,4.77,4.77,4.77,4.77,4.77,4.77,4.77,4.77,1.79,1.7695167560080562,1.7513425272979735,1.735217137826476,1.720900229057278,1.708189080062248,1.6969171463352883,1.686928302990009,1.6780767047908522,1.6702267861530926,1.6632532611428368,first
+274,2.48,95,3.363290928488846e+17,1.02,0.01980262729617973,198.1,Linear,Acid,1,0.26035143046770437,0.13124969330874947,2.07,1.9448663531217938,1.9136115563883505,1.9054053605602916,1.9030381082747954,1.9025273172263146,1.9023122758102797,1.9023192225237255,1.9020807487489424,1.9024611517926109,1.9023911340934474,0.37,0.3074331765608971,0.2918057781941753,0.2877026802801459,0.28651905413739764,0.2862636586131574,0.2861561379051399,0.28615961126186296,0.2860403743744713,0.2862305758963055,0.2861955670467238,1.97,2.0325668234391028,2.048194221805825,2.0522973197198544,2.0534809458626024,2.053736341386843,2.0538438620948605,2.0538403887381373,2.053959625625529,2.053769424103695,2.0538044329532763,third
+277,13.63,92,3.216038210835338e+17,2.68,0.9858167945227654,124.2,Ring,Acid,1,1.4388168532893992,0.9541039242826564,4.16,4.0594654053235875,4.059201569937189,4.059836142925673,4.059449752817374,4.058870664720362,4.058924630043956,4.058878281190561,4.0596783024486465,4.05975114610758,4.059545385381474,0.72,0.619465405323588,0.6192015699371896,0.6198361429256735,0.6194497528173748,0.618870664720363,0.6189246300439579,0.6188782811905624,0.6196783024486475,0.6197511461075804,0.6195453853814751,3.69,3.7905345946764117,3.7907984300628104,3.7901638570743263,3.790550247182625,3.791129335279637,3.791075369956043,3.7911217188094377,3.7903216975513527,3.79024885389242,3.7904546146185254,second
+275,9.66,99,4.463867414352519e+17,1.63,0.4885800148186709,82.0,Ring,Acid,1,0.06991360902415196,0.042093216326724435,7.64,4.225817494335518,3.031524155693236,2.4595349026335502,2.1420913772817105,1.9523414088822473,1.8341810450061033,1.758782701826346,1.7085842194810328,1.67637316421317,1.654838924177321,3.72,3.72,3.72,3.72,3.72,3.72,3.72,3.72,3.72,3.72,3.72,1.29,2.9970912528322415,3.5942379221533822,3.8802325486832254,4.038954311359145,4.1338292955588765,4.192909477496949,4.230608649086828,4.255707890259484,4.271813417893416,4.28258053791134,second
+272,1.68,93,1.3536669617039757e+17,0.85,-0.16251892949777494,111.5,Branched,Acid,1,0.1867363422804344,0.15440485580472638,9.68,8.936536390704385,8.370748178782407,7.9383460753838895,7.609592130982203,7.3620992837191785,7.174446120002919,7.029197361987168,6.918599002456011,6.835069099075518,6.771553059092792,2.34,2.34,2.34,2.34,2.34,2.34,2.34,2.34,2.34,2.34,2.34,4.83,5.573463609295615,6.139251821217592,6.57165392461611,6.900407869017797,7.147900716280821,7.3355538799970805,7.480802638012832,7.591400997543989,7.6749309009244815,7.738446940907208,first
+272,2.81,99,3.696050756231025e+17,0.96,-0.040821994520255166,149.7,Ring,Acid,0,0.035906958809460134,0.02487373875429534,3.98,3.8672986941027174,3.7577887446777813,3.651379780476619,3.547983823002129,3.4475156532273563,3.349892569926604,3.255034045646002,3.1628617267035093,3.0732994331889127,2.9862731589638267,0.11,0.11,0.11,0.11,0.11,0.11,0.11,0.11,0.11,0.11,0.11,2.35,2.35,2.35,2.35,2.35,2.35,2.35,2.35,2.35,2.35,2.35,first
+280,13.16,96,2.424479678434384e+17,1.59,0.4637340162321402,145.8,Branched,Acid,0,0.2985054712942011,0.2592416800116358,4.07,3.831195622964639,3.5923912459292784,3.353586868893917,3.1147824918585565,2.8759781148231953,2.637173737787834,2.3983693607524734,2.1595649837171127,1.920760606681752,1.681956229646391,2.09,2.09,2.09,2.09,2.09,2.09,2.09,2.09,2.09,2.09,2.09,3.38,3.618804377035361,3.857608754070722,4.0964131311060825,4.335217508141444,4.574021885176805,4.812826262212166,5.051630639247527,5.2904350162828875,5.529239393318248,5.768043770353609,zero
+272,2.71,98,2.9145794755003674e+17,3.36,1.2119409739751128,144.7,Branched,Enzyme,1,0.044061842400786734,0.031855918256611514,5.89,4.296038105262987,3.47225099230033,2.974355515960794,2.654583662966523,2.4418518736899752,2.2954272259557342,2.1904975239209823,2.116476828431851,2.0633614904715225,2.023773070782834,3.36,3.36,3.36,3.36,3.36,3.36,3.36,3.36,3.36,3.36,3.36,3.07,3.866980947368506,4.278874503849835,4.527822242019602,4.687708168516738,4.794074063155012,4.867286387022133,4.919751238039508,4.956761585784074,4.983319254764238,5.003113464608582,second
+272,7.14,93,3.1194686442432344e+16,1.23,0.20701416938432612,68.1,Ring,Enzyme,1,0.04303260557908735,0.038516277731925494,8.36,7.642740837032866,7.156657416534958,6.814812550226936,6.571082411918648,6.391675648071131,6.258233586585823,6.15927342229237,6.084662315389812,6.02781289848443,5.984648536052261,3.39,2.6727408370328662,2.1866574165349575,1.8448125502269361,1.6010824119186486,1.4216756480711312,1.2882335865858237,1.1892734222923702,1.1146623153898125,1.0578128984844302,1.0146485360522615,3.19,3.907259162967134,4.393342583465042,4.735187449773064,4.978917588081352,5.158324351928869,5.291766413414177,5.39072657770763,5.465337684610188,5.52218710151557,5.565351463947739,second
+275,2.29,98,1.3116943354317282e+17,3.49,1.2499017362143359,41.4,Branched,None,1,0.031815157939507475,0.025867270274629494,6.3,4.904895435124693,4.089911791654308,3.5601770186885666,3.2026481782904863,2.9469192086564173,2.763393060752132,2.628358623245439,2.5255575128922256,2.4479154315766665,2.3887285608472504,4.79,4.79,4.79,4.79,4.79,4.79,4.79,4.79,4.79,4.79,4.79,3.81,4.507552282437653,4.915044104172845,5.179911490655717,5.358675910854757,5.486540395671791,5.5783034696239335,5.64582068837728,5.697221243553887,5.736042284211667,5.765635719576375,second
+270,2.57,99,4.5183853198371014e+17,4.63,1.5325568680981427,69.8,Linear,Enzyme,0,0.03173877702954069,0.021953320065133116,1.8,1.7548715141930775,1.710874462663895,1.6679804754968437,1.6261618477183133,1.5853916660096634,1.5456436895580998,1.5068922949544157,1.4691124761929926,1.4322798446717995,1.3963706291923939,0.19,0.19,0.19,0.19,0.19,0.19,0.19,0.19,0.19,0.19,0.19,1.48,1.5251284858069225,1.569125537336105,1.6120195245031563,1.6538381522816867,1.6946083339903366,1.7343563104419002,1.7731077050455843,1.8108875238070075,1.8477201553282006,1.8836293708076064,first
+272,2.85,94,4.971733351649221e+17,0.92,-0.08338160893905101,85.8,Branched,Base,1,0.4407362710569725,0.2390068634346819,9.07,1.4181672850670406,1.4171188847709897,1.4175009327487986,1.4172655925483881,1.416825617290894,1.4167463827115643,1.416372544792868,1.4160537388921175,1.416070650631095,1.4167894890397228,1.3,1.3,1.3,1.3,1.3,1.3,1.3,1.3,1.3,1.3,1.3,2.69,5.240610904977655,5.240960371743005,5.2408330224170685,5.2409114691505385,5.241058127569704,5.241084539096147,5.2412091517357124,5.241315420369296,5.241309783122969,5.241070170320094,third
+277,10.08,100,3.4574916985649216e+17,3.81,1.3376291891386096,168.9,Branched,Enzyme,1,0.04795228598341083,0.041635848514531754,7.22,4.78066736368634,3.674821750227254,3.071926264248656,2.712527448486743,2.4811455557673963,2.329722644272122,2.227302922110511,2.1557456278354707,2.107047113703194,2.073139454027564,3.37,3.37,3.37,3.37,3.37,3.37,3.37,3.37,3.37,3.37,3.37,1.94,3.15966631815683,3.7125891248863727,4.014036867875672,4.1937362757566286,4.309427222116301,4.385138677863938,4.436348538944744,4.472127186082264,4.496476443148403,4.513430272986218,second
+275,6.29,91,2.5116599149696294e+17,3.34,1.205970806988609,153.8,Linear,Base,1,1.3014255088280993,0.8175866886748621,1.36,1.1489201666023334,1.1501156602323421,1.1505826792933729,1.151308115441108,1.151211378415256,1.1507174748928755,1.1501323346441181,1.149482659490732,1.1491748304715348,1.1501529844475717,1.56,1.56,1.56,1.56,1.56,1.56,1.56,1.56,1.56,1.56,1.56,2.35,2.4203599444658885,2.419961446589219,2.4198057735688754,2.4195639615196303,2.4195962071949144,2.419760841702375,2.4199558884519603,2.4201724468364225,2.420275056509488,2.4199490051841415,third
+270,11.78,91,3.9052462330989005e+17,0.7,-0.35667494393873245,30.0,Ring,Acid,1,0.9682874029579379,0.5639418581667284,2.21,1.5385519007573776,1.3409737773003887,1.2831035283788892,1.2660107355483758,1.2607060673311328,1.2595187430486987,1.2588185840159771,1.2590083477659055,1.2587792225632584,1.2588105122199655,0.36,0.36,0.36,0.36,0.36,0.36,0.36,0.36,0.36,0.36,0.36,1.21,1.8814480992426221,2.0790262226996115,2.1368964716211103,2.153989264451624,2.159293932668867,2.160481256951301,2.161181415984023,2.160991652234094,2.1612207774367413,2.161189487780034,first
+277,11.61,99,3.892568952903142e+17,1.71,0.5364933705145685,94.3,Unknown,Enzyme,1,0.08334201614478803,0.0441878545544576,1.15,1.017827368554718,0.920751301419357,0.8472753531223527,0.7911292314156255,0.7476101155694455,0.712799789946896,0.6848414077696525,0.6624873739212678,0.6445315223725715,0.6298918527029572,4.48,4.48,4.48,4.48,4.48,4.48,4.48,4.48,4.48,4.48,4.48,0.3,0.36608631572264105,0.41462434929032144,0.4513623234388236,0.47943538429218713,0.5011949422152772,0.518600105026552,0.5325792961151737,0.5437563130393661,0.5527342388137143,0.5600540736485214,second
+276,7.0,99,4.793946638738638e+17,2.99,1.095273387402595,135.6,Linear,Enzyme,1,0.0878371488331091,0.045967372994307996,10.0,4.248943681362135,2.833907687469927,2.23868192556476,1.937313041538664,1.7693292688115971,1.6706548174898412,1.6112738150977164,1.5753424139602237,1.5524960004617754,1.5383963654217818,1.25,1.25,1.25,1.25,1.25,1.25,1.25,1.25,1.25,1.25,1.25,0.14,3.015528159318932,3.7230461562650357,4.020659037217619,4.171343479230668,4.255335365594201,4.30467259125508,4.334363092451142,4.352328793019888,4.3637519997691125,4.3708018172891085,second
+273,13.85,92,1.8176589486094234e+17,2.16,0.7701082216960737,39.6,Ring,Enzyme,0,0.45289162261897514,0.2800751800763585,5.27,3.6682162431963388,2.5525664306864377,1.7761933781519113,1.2379912092662027,0.8610444127464258,0.5997165211517356,0.41781244315218746,0.2905821000120102,0.20257585991360716,0.14107180556728977,3.05,3.05,3.05,3.05,3.05,3.05,3.05,3.05,3.05,3.05,3.05,2.16,3.76178375680366,4.8774335693135615,5.653806621848088,6.192008790733796,6.568955587253574,6.830283478848264,7.012187556847813,7.13941789998799,7.227424140086393,7.28892819443271,first
+277,3.56,91,1.5257737207209427e+17,2.69,0.9895411936137477,194.9,Linear,Acid,0,1.053789737748614,0.7155223506441124,4.47,4.2267610783547,4.220193737975506,4.220005442048035,4.220000147524204,4.219999456632172,4.21999971563035,4.2199994826875145,4.21999917493965,4.219999160846659,4.220000295933995,0.25,0.006761078354700843,0.00019373797550634436,5.442048035626244e-06,1.4752420487833684e-07,-5.433678278006594e-07,-2.843696490224435e-07,-5.17312484297379e-07,-8.250603486303349e-07,-8.391533395734453e-07,2.9593399566495704e-07,3.51,3.753238921645299,3.7598062620244934,3.7599945579519645,3.759999852475795,3.760000543367828,3.760000284369649,3.760000517312484,3.7600008250603487,3.7600008391533395,3.7599997040660043,second
+272,1.89,94,2.1013489096415626e+17,0.73,-0.31471074483970024,130.2,Branched,Base,0,0.18628124581899358,0.09430146330398315,3.22,2.7741813579447583,2.3900911502792654,2.058624693199576,1.77275264877184,1.5268989450196315,1.3157916488447745,1.1344629660273429,0.9782492412256567,0.8429754474246954,0.7262636234942698,4.54,4.54,4.54,4.54,4.54,4.54,4.54,4.54,4.54,4.54,4.54,3.02,3.465818642055242,3.8499088497207348,4.181375306800424,4.467247351228161,4.713101054980369,4.924208351155226,5.105537033972658,5.261750758774344,5.397024552575306,5.513736376505731,first
+272,13.39,99,1.2526838930816107e+17,1.6,0.47000362924573563,63.3,Ring,Acid,0,0.012169764950961628,0.0102342505229222,9.65,8.123386106588745,7.014438801423456,6.168632142428117,5.509660735220835,4.983112252985749,4.544304158928047,4.174454121724837,3.8610065536427856,3.5919345252850308,3.3576308525047978,0.7,0.7,0.7,0.7,0.7,0.7,0.7,0.7,0.7,0.7,0.7,4.72,5.4833069467056275,6.037780599288273,6.460683928785942,6.790169632389583,7.053443873507126,7.272847920535977,7.457772939137582,7.614496723178608,7.749032737357485,7.866184573747602,second
+272,6.9,92,1.921681885770531e+17,1.12,0.11332868530700327,123.8,Linear,Acid,0,0.4125195813204934,0.21165790700090448,7.14,5.1328615761085405,3.6900902636771145,2.650023688643113,1.9064648353620133,1.372871083370506,0.9860989048139652,0.709351534509533,0.5106198327451229,0.36704035710076316,0.26394077199262095,2.31,2.31,2.31,2.31,2.31,2.31,2.31,2.31,2.31,2.31,2.31,2.6,2.6,2.6,2.6,2.6,2.6,2.6,2.6,2.6,2.6,2.6,first
+270,1.34,93,4.6917919610844896e+17,3.21,1.1662709371419244,192.8,Ring,Acid,1,0.4772625668628435,0.2810035187052053,9.02,1.8065146727352266,1.6510694476266905,1.640825059706387,1.6400107251236156,1.6393190259258814,1.642469447582532,1.6405075742646282,1.6399953728257934,1.6393610857558065,1.6410208406245779,4.83,4.83,4.83,4.83,4.83,4.83,4.83,4.83,4.83,4.83,4.83,0.88,4.486742663632387,4.564465276186655,4.569587470146807,4.569994637438192,4.570340487037059,4.568765276208734,4.5697462128676865,4.5700023135871035,4.570319457122097,4.569489579687712,second
+275,11.6,96,3.553986246664081e+17,1.77,0.5709795465857378,31.6,Ring,None,0,0.20673746883615912,0.14076573546449841,4.7,4.534610024931073,4.369220049862146,4.203830074793219,4.0384400997242915,3.873050124655364,3.7076601495864367,3.542270174517509,3.376880199448582,3.211490224379655,3.0461002493107276,4.19,4.19,4.19,4.19,4.19,4.19,4.19,4.19,4.19,4.19,4.19,4.75,4.915389975068927,5.080779950137854,5.2461699252067815,5.411559900275709,5.576949875344636,5.742339850413564,5.907729825482491,6.073119800551418,6.238509775620345,6.4038997506892725,zero
+274,8.78,100,1.888192766428368e+17,4.92,1.5933085305042167,29.8,Ring,Acid,1,0.016278732026321283,0.009664326287444807,9.71,9.51160139894524,9.341682331117683,9.195256390302642,9.068468257521808,8.958869355404698,8.864165752634733,8.782179780827107,8.710850034528786,8.64823137121851,8.59273046997833,1.98,1.7816013989452393,1.6116823311176836,1.4652563903026417,1.3384682575218072,1.228869355404697,1.134165752634732,1.052179780827106,0.9808500345287846,0.9182313712185078,0.8627304699783284,4.64,4.83839860105476,5.008317668882316,5.154743609697358,5.281531742478193,5.391130644595303,5.4858342473652675,5.567820219172893,5.639149965471215,5.701768628781492,5.757269530021672,second
+278,6.33,94,6.879836160800391e+16,3.76,1.324418957401803,83.2,Branched,Enzyme,0,0.14957798310201248,0.10170594788047332,6.75,1.1653369897062227,0.8301095203123044,0.6796455755615848,0.5888535808303129,0.5275003668111833,0.4815372214373241,0.4458680404923823,0.4174179780073201,0.3936967308143141,0.3734644928137925,4.9,4.9,4.9,4.9,4.9,4.9,4.9,4.9,4.9,4.9,4.9,0.92,2.781554336764592,2.8932968265625654,2.943451474812805,2.9737154730565623,2.9941665443962724,3.0094875928542253,3.0213773198358727,3.03086067399756,3.0387677563952287,3.045511835728736,third
+275,9.5,100,7.097655364465703e+16,3.19,1.1600209167967532,75.4,Branched,None,0,0.007178179874236785,0.0047422611048089335,3.17,3.1378017375250633,3.1079694054991225,3.0802635365475464,3.0544736907745293,3.0304271445181232,3.0079687588608714,2.9869575971455786,2.9672669249753083,2.9487842102133834,2.931411122983387,0.29,0.2739008687625316,0.2589847027495613,0.2451317682737732,0.2322368453872647,0.22021357225906152,0.20898437943043574,0.19847879857278933,0.18863346248765409,0.17939210510669162,0.17070556149169347,4.06,4.076099131237468,4.091015297250438,4.1048682317262255,4.117763154612734,4.129786427740938,4.141015620569563,4.15152120142721,4.161366537512345,4.170607894893307,4.179294438508306,third
+274,2.73,92,3.617328535002966e+17,4.74,1.556037135706985,183.1,Branched,None,0,1.0449999249044235,0.650026377902495,2.13,0.5223958154635537,0.22755004645882804,0.11541227661541975,0.062413665404940435,0.034859652350687095,0.01983925230092043,0.011373865086892754,0.006563567138057091,0.003799932573664823,0.002203022419676416,2.78,1.1723958154635534,0.8775500464588277,0.7654122766154196,0.7124136654049402,0.6848596523506869,0.6698392523009202,0.6613738650868926,0.6565635671380569,0.6537999325736645,0.6522030224196761,2.18,3.787604184536446,4.082449953541172,4.19458772338458,4.247586334595058,4.2751403476493115,4.290160747699079,4.298626134913106,4.303436432861941,4.306200067426334,4.307796977580322,second
+277,4.42,92,2.085525998454684e+17,1.87,0.6259384308664954,143.3,Branched,None,0,0.9330392731156008,0.5774787532574246,8.6,0.6234037659166456,0.3234574904219979,0.2183930935992572,0.1649825094152345,0.13234925235171996,0.11069807950947014,0.09496065740252216,0.08323214083444908,0.07411729986468224,0.06673348953616628,1.67,1.67,1.67,1.67,1.67,1.67,1.67,1.67,1.67,1.67,1.67,4.03,8.018298117041677,8.168271254789001,8.220803453200373,8.247508745292384,8.26382537382414,8.274650960245266,8.28251967129874,8.288383929582777,8.29294135006766,8.296633255231917,second
+279,6.37,93,2.362569248624495e+17,2.16,0.7701082216960737,85.9,Ring,Base,0,0.9145533049647238,0.6109696923816387,2.67,0.27832741004023637,0.0521218844308709,0.010559672886038252,0.0021662765206953254,0.00044710860298641085,9.195825588669061e-05,1.9069974054746248e-05,3.9535449746694154e-06,7.019491754993651e-07,3.004434273921855e-07,4.83,2.4383274100402375,2.2121218844308723,2.1705596728860397,2.1621662765206966,2.1604471086029875,2.160091958255888,2.1600190699740556,2.1600039535449755,2.1600007019491763,2.160000300443428,1.31,3.701672589959763,3.9278781155691282,3.969440327113961,3.977833723479304,3.979552891397013,3.9799080417441126,3.979980930025945,3.979996046455025,3.9799992980508243,3.9799996995565725,second
+276,4.59,93,6.784244417238918e+16,2.11,0.7466879474879751,150.9,Branched,Base,0,0.1698490746586317,0.09863451957390769,9.43,9.294120740273094,9.158241480546188,9.022362220819282,8.886482961092376,8.750603701365472,8.614724441638566,8.47884518191166,8.342965922184755,8.20708666245785,8.071207402730945,4.7,4.7,4.7,4.7,4.7,4.7,4.7,4.7,4.7,4.7,4.7,3.04,3.1758792597269054,3.311758519453811,3.4476377791807162,3.5835170389076216,3.7193962986345266,3.8552755583614324,3.991154818088338,4.127034077815243,4.262913337542148,4.398792597269054,zero
+277,1.26,91,4.932075159200077e+16,0.81,-0.21072103131565253,142.4,Ring,Base,0,0.3406383343733365,0.20367117938723855,4.23,3.220952014396346,2.4526655508327235,1.865991539031351,1.420509285392691,1.0834556395664543,0.8255817579640311,0.6281617568591515,0.47849943144980217,0.36489944748194003,0.2778802089311063,3.15,3.15,3.15,3.15,3.15,3.15,3.15,3.15,3.15,3.15,3.15,1.03,1.03,1.03,1.03,1.03,1.03,1.03,1.03,1.03,1.03,1.03,first
+274,12.89,90,1.9128268774851405e+17,0.96,-0.040821994520255166,24.4,Branched,None,1,1.3295126857197372,0.7361434953863114,6.5,4.189847919307149,3.747408225882302,3.6628516220548586,3.646110156384243,3.6424914479851416,3.6428421965813884,3.641190490224832,3.6435892913958887,3.6416054895134082,3.643110818986462,4.89,4.89,4.89,4.89,4.89,4.89,4.89,4.89,4.89,4.89,4.89,3.72,6.030152080692851,6.4725917741176975,6.557148377945141,6.573889843615755,6.577508552014857,6.57715780341861,6.578809509775166,6.57641070860411,6.578394510486589,6.576889181013536,first
+271,1.97,94,4.94576750239754e+17,3.04,1.1118575154181303,127.9,Linear,Enzyme,0,0.3760892337081629,0.32733947790920187,2.0,0.6983168936574073,0.5099222627195334,0.4207292067475023,0.3665758257301849,0.3288299263319931,0.3010902376047463,0.27912522968710674,0.2613475935687322,0.24665188813210814,0.23417324659846897,2.28,2.28,2.28,2.28,2.28,2.28,2.28,2.28,2.28,2.28,2.28,0.22,0.6538943687808642,0.7166925790934888,0.7464235977508326,0.764474724756605,0.777056691222669,0.7863032541317512,0.793624923437631,0.7995508021437558,0.8044493706226306,0.8086089178005103,third
+276,2.19,99,1.3938068313421366e+17,3.32,1.199964782928397,100.8,Branched,None,1,0.025538043560997203,0.021074729790056146,6.02,5.9115202081283265,5.80701116043956,5.7063269641567835,5.609327549753386,5.515879002822885,5.4258517365486165,5.33912046950313,5.25556422564819,5.175066334334776,5.097514430303084,4.46,4.46,4.46,4.46,4.46,4.46,4.46,4.46,4.46,4.46,4.46,0.74,0.8484797918716723,0.9529888395604393,1.0536730358432165,1.1506724502466137,1.244120997177114,1.334148263451383,1.42087953049687,1.5044357743518102,1.5849336656652238,1.6624855696969159,first
+277,4.45,100,1.4479615939475232e+17,3.29,1.1908875647772805,191.2,Unknown,Enzyme,0,0.02008191906137798,0.01272786596126678,5.55,5.2067317921042715,4.909592688015463,4.6501385554061505,4.422059597149378,4.219970959000808,4.039406047278711,3.876892011972633,3.7301157436135712,3.5969755726007255,3.4756701318749514,4.15,3.8067317921042725,3.509592688015464,3.250138555406152,3.0220595971493793,2.819970959000808,2.639406047278712,2.476892011972634,2.330115743613572,2.1969755726007265,2.0756701318749524,0.09,0.4332682078957284,0.7304073119845365,0.9898614445938491,1.2179404028506218,1.4200290409991927,1.6005939527212887,1.763107988027367,1.9098842563864287,2.0430244273992746,2.1643298681250487,second
+270,2.57,92,1.4008245391736029e+17,4.43,1.4883995840570443,65.4,Ring,Base,1,0.2224697587074814,0.14117248744431865,7.48,5.25560113876268,4.70042317163419,4.5198241133277035,4.4563834695890545,4.433307206174786,4.4248285655268695,4.421963327817386,4.420638204282657,4.42041658391352,4.420187705394804,3.65,1.425601138762679,0.8704231716341891,0.6898241133277024,0.6263834695890529,0.6033072061747837,0.5948285655268677,0.591963327817385,0.5906382042826556,0.5904165839135181,0.5901877053948027,1.05,3.2743988612373207,3.8295768283658105,4.010175886672297,4.073616530410947,4.096692793825215,4.105171434473132,4.108036672182615,4.109361795717344,4.1095834160864815,4.109812294605197,second
+280,5.17,92,4.590297394508326e+17,3.34,1.205970806988609,105.4,Linear,Enzyme,0,3.1507262019838236,1.8949878861519989,7.43,5.440001550576641,5.439999610998996,5.44000070933803,5.440000932386049,5.440000246608058,5.440000417605089,5.439999025772909,5.439999313531288,5.439999854066471,5.440000351115652,1.99,1.5505766399714203e-06,-3.8900100538930476e-07,7.093380276219839e-07,9.323860468184073e-07,2.466080569707633e-07,4.176050867199933e-07,-9.742270922942782e-07,-6.864687136728096e-07,-1.4593353019001684e-07,3.5111564998916193e-07,3.28,5.269998449423358,5.270000389001003,5.2699992906619695,5.26999906761395,5.269999753391941,5.26999958239491,5.27000097422709,5.270000686468711,5.270000145933528,5.2699996488843475,second
+270,2.66,100,2.0888187436595555e+17,3.68,1.3029127521808397,145.1,Unknown,None,0,0.00939807839246612,0.0070899447268471215,8.89,7.987901375460349,7.519683386185187,7.242168649513916,7.06593734121846,6.9504199080316225,6.871779915482522,6.818032481303557,6.7804424338756615,6.7541040834940995,6.735612788575382,1.1,0.6489506877301738,0.41484169309259256,0.2760843247569575,0.18796867060922934,0.13020995401581054,0.09088995774126052,0.06401624065177804,0.045221216937830044,0.03205204174704902,0.02280639428769008,0.84,1.291049312269826,1.5251583069074073,1.6639156752430422,1.7520313293907706,1.8097900459841894,1.8491100422587394,1.8759837593482218,1.8947787830621698,1.9079479582529508,1.9171936057123098,third
+279,1.95,91,6.678541220217447e+16,3.0,1.0986122886681098,29.3,Linear,Enzyme,1,0.6122960743884136,0.36422076137996906,5.1,2.522199657925072,2.367469183602018,2.353262648166936,2.3519428477917224,2.352081256825942,2.3502104315049475,2.3533041990432744,2.3525441432940033,2.3513469027029186,2.352040990278927,4.65,2.0721996579250725,1.9174691836020186,1.9032626481669368,1.9019428477917233,1.9020812568259426,1.9002104315049482,1.9033041990432749,1.9025441432940038,1.9013469027029188,1.902040990278927,4.77,7.347800342074928,7.502530816397981,7.516737351833064,7.518057152208278,7.517918743174058,7.519789568495053,7.516695800956726,7.517455856705998,7.518653097297082,7.517959009721075,second
+270,2.42,99,3.7212009745905126e+17,4.23,1.4422019930581866,170.9,Linear,Enzyme,0,0.026139065098347083,0.01654433280477742,3.03,3.0090887479213224,2.9881774958426446,2.9672662437639667,2.9463549916852894,2.9254437396066115,2.9045324875279337,2.8836212354492563,2.8627099833705785,2.8417987312919006,2.8208874792132232,4.75,4.75,4.75,4.75,4.75,4.75,4.75,4.75,4.75,4.75,4.75,3.44,3.4609112520786773,3.481822504157355,3.502733756236033,3.5236450083147104,3.5445562603933882,3.565467512472066,3.5863787645507434,3.6072900166294213,3.628201268708099,3.6491125207867765,zero
+276,5.95,97,4.041261855027812e+17,4.37,1.4747630091074988,99.9,Linear,Base,0,0.17702213778299083,0.12483807509701057,7.95,7.808382289773608,7.666764579547214,7.525146869320822,7.383529159094429,7.241911448868036,7.100293738641644,6.958676028415251,6.817058318188859,6.675440607962465,6.533822897736073,4.62,4.62,4.62,4.62,4.62,4.62,4.62,4.62,4.62,4.62,4.62,0.62,0.7616177102263927,0.9032354204527855,1.0448531306791782,1.1864708409055709,1.3280885511319633,1.4697062613583562,1.611323971584749,1.7529416818111414,1.894559392037534,2.036177102263927,zero
+273,3.29,90,4.958731462914875e+17,4.23,1.4422019930581866,56.2,Unknown,Base,1,2.982206104061503,2.311633166454002,7.91,2.1557762125488544,2.1568620843813706,2.154215973790943,2.153020522962215,2.1553798614690085,2.156750855703214,2.153853195496564,2.1532945003698822,2.155065400711145,2.1553332284521187,1.15,1.15,1.15,1.15,1.15,1.15,1.15,1.15,1.15,1.15,1.15,3.11,5.987111893725572,5.986568957809315,5.987892013104527,5.988489738518892,5.9873100692654955,5.986624572148393,5.988073402251718,5.98835274981506,5.987467299644428,5.987333385773941,second
+271,4.04,100,3.41658443248483e+17,3.64,1.2919836816486494,133.7,Linear,Base,1,0.018118452370556506,0.014362617681880348,8.9,8.435431162209547,8.051002892869102,7.728431274310694,7.455960267062313,7.225296999202343,7.028847642379738,6.859716627360352,6.711794457391651,6.582358172984535,6.469300806102352,4.27,3.805431162209547,3.421002892869102,3.0984312743106948,2.8259602670623143,2.5952969992023442,2.398847642379739,2.229716627360353,2.0817944573916516,1.9523581729845363,1.8393008061023526,3.38,3.8445688377904523,4.228997107130898,4.551568725689305,4.824039732937686,5.054703000797655,5.25115235762026,5.420283372639647,5.568205542608347,5.697641827015463,5.810699193897647,second
+279,4.5,97,1.5602452418012176e+17,1.57,0.45107561936021673,146.3,Unknown,Base,1,0.1076729391771354,0.09562683597898483,6.96,5.697541608194019,5.1024384920858745,4.787865338907268,4.612533876018845,4.510948168539689,4.451297296657194,4.41565099087293,4.394591110114522,4.381684965827521,4.374006806397454,3.2,1.9375416081940189,1.342438492085874,1.0278653389072676,0.8525338760188457,0.7509481685396897,0.691297296657195,0.65565099087293,0.6345911101145226,0.621684965827522,0.6140068063974552,0.36,1.6224583918059812,2.2175615079141258,2.5321346610927327,2.7074661239811544,2.80905183146031,2.868702703342805,2.90434900912707,2.9254088898854773,2.938315034172478,2.9459931936025447,second
+274,5.59,95,1.7048251263181014e+17,2.39,0.8712933659434193,184.7,Linear,None,1,0.13197004653226047,0.10097853891145314,5.12,2.8244691172865704,2.2407056017347315,2.0359433945500642,1.9566721009870367,1.9251667981784433,1.9112796003498682,1.906508958792275,1.9036564801978935,1.9029721933393193,1.9027814426032312,1.99,1.99,1.99,1.99,1.99,1.99,1.99,1.99,1.99,1.99,1.99,3.12,4.2677654413567145,4.559647199132633,4.662028302724968,4.701663949506481,4.717416600910778,4.724360199825066,4.7267455206038616,4.728171759901053,4.72851390333034,4.728609278698384,second
+273,6.51,90,2.5785715312876285e+17,1.84,0.6097655716208943,174.9,Ring,None,0,1.5507659202510824,0.7912252738014195,3.51,0.3628640591404638,0.1911430469124312,0.12979243179890346,0.09832178817899173,0.07908315503850524,0.06616929441846861,0.05683195424022785,0.049877365796736,0.044399674984804856,0.0399938628208571,4.2,4.2,4.2,4.2,4.2,4.2,4.2,4.2,4.2,4.2,4.2,1.97,3.543567970429768,3.6294284765437843,3.660103784100549,3.6758391059105042,3.6854584224807474,3.6919153527907658,3.696584022879886,3.700061317101632,3.7028001625075975,3.7050030685895714,second
+273,13.08,95,3.426753843155737e+17,2.93,1.075002423028976,60.5,Branched,Base,1,0.22768636963023242,0.1841444823131016,8.07,7.763245437091931,7.763335761614784,7.7631811789949,7.763234943266734,7.763192944821327,7.763273194161135,7.763193856692357,7.763296258323509,7.763238827253372,7.763240871592502,0.2,0.04662271854596553,0.046667880807391905,0.046590589497450444,0.04661747163336689,0.046596472410664,0.046636597080567915,0.046596928346179345,0.046648129161755175,0.04661941362668677,0.046620435796251906,3.32,3.4733772814540345,3.473332119192608,3.47340941050255,3.473382528366633,3.4734035275893365,3.4733634029194325,3.4734030716538213,3.4733518708382456,3.473380586373314,3.473379564203749,third
+277,10.92,96,4.492259488078398e+17,4.44,1.4906543764441336,146.6,Unknown,Base,0,0.35385967761311193,0.19929566070298868,5.78,4.354956332828187,3.2805171867478107,2.47095033562573,1.8631098323231594,1.4038901954994347,1.0571338295410775,0.7970709135481634,0.6010808580860455,0.45286115257161685,0.3412455034491243,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,1.22,2.645043667171813,3.7194828132521893,4.52904966437427,5.136890167676841,5.596109804500565,5.942866170458922,6.202929086451837,6.398919141913955,6.547138847428384,6.658754496550876,first
+271,1.68,94,2.3004813095680582e+17,2.24,0.8064758658669485,166.0,Ring,Base,1,0.1749346794923112,0.09298964841022737,7.38,7.380421514884559,7.380440614473723,7.380360811005907,7.38036952729201,7.380465464326981,7.380298604809621,7.380460892754377,7.380411146218366,7.380386862731027,7.380389102629893,0.04,0.04021075744227991,0.04022030723686176,0.04018040550295398,0.040184763646005615,0.04023273216349113,0.04014930240481014,0.040230446377188776,0.04020557310918265,0.04019343136551327,0.0401945513149466,4.12,4.11978924255772,4.119779692763138,4.119819594497045,4.119815236353994,4.119767267836509,4.11985069759519,4.119769553622812,4.119794426890818,4.119806568634488,4.119805448685054,third
+276,6.89,95,2.7289016019823914e+17,2.08,0.7323678937132266,27.1,Branched,None,1,0.2857748599899801,0.20811539665926243,9.68,7.732363133176682,7.732370048130549,7.73250362306669,7.732400438104944,7.732301046623942,7.732502343840997,7.73239669525592,7.73234146837394,7.732427250898174,7.732552944378685,1.03,0.056181566588340566,0.05618502406527391,0.05625181153334483,0.05620021905247143,0.05615052331197027,0.05625117192049774,0.05619834762795927,0.056170734186969905,0.056213625449087055,0.056276472189343084,3.64,4.613818433411659,4.613814975934726,4.613748188466654,4.613799780947527,4.613849476688029,4.613748828079502,4.61380165237204,4.613829265813028,4.613786374550911,4.613723527810656,third
+272,2.32,92,4.1021964250683283e+17,2.83,1.0402767116551463,112.6,Linear,Base,0,0.8806017084794868,0.6466838990701604,6.15,0.6386734969937014,0.3365104179608125,0.22852178523300867,0.17311476079940943,0.13925515755898182,0.11650936707414342,0.10007462313957423,0.08783052263491978,0.07818139734834034,0.0704241288380316,1.48,1.48,1.48,1.48,1.48,1.48,1.48,1.48,1.48,1.48,1.48,2.93,5.68566325150315,5.836744791019594,5.890739107383497,5.918442619600296,5.93537242122051,5.946745316462929,5.954962688430213,5.9610847386825405,5.96590930132583,5.969787935580984,second
+271,8.7,95,1.3047917444089405e+17,0.87,-0.13926206733350766,103.9,Unknown,Base,0,0.06365663745788275,0.03241040203761999,9.95,9.899074690033693,9.848149380067387,9.797224070101082,9.746298760134776,9.69537345016847,9.644448140202163,9.593522830235857,9.54259752026955,9.491672210303244,9.440746900336938,4.52,4.52,4.52,4.52,4.52,4.52,4.52,4.52,4.52,4.52,4.52,0.61,0.6609253099663062,0.7118506199326123,0.7627759298989185,0.8137012398652247,0.864626549831531,0.9155518597978372,0.9664771697641434,1.0174024797304497,1.068327789696756,1.119253099663062,zero
+279,2.92,90,3.92385543854221e+16,0.63,-0.4620354595965587,150.9,Unknown,Enzyme,0,0.5536312000276722,0.4693207972927103,5.77,0.947509485802497,0.5156279245387129,0.35435590118464294,0.27016271640946604,0.21798558558960077,0.18297889472303863,0.15739571736827962,0.1382615681422938,0.12329496252157064,0.11115507590646627,4.42,4.42,4.42,4.42,4.42,4.42,4.42,4.42,4.42,4.42,4.42,2.91,5.321245257098751,5.537186037730644,5.617822049407678,5.659918641795267,5.686007207205199,5.70351055263848,5.716302141315859,5.725869215928853,5.733352518739214,5.739422462046766,second
+274,6.41,98,6.435200856685556e+16,1.85,0.6151856390902335,179.0,Ring,None,0,0.013348266424275999,0.008203211740645356,5.2,5.18932138686058,5.178642773721159,5.167964160581739,5.157285547442317,5.146606934302897,5.135928321163476,5.125249708024055,5.114571094884634,5.103892481745214,5.093213868605792,4.28,4.28,4.28,4.28,4.28,4.28,4.28,4.28,4.28,4.28,4.28,3.42,3.430678613139421,3.4413572262788414,3.4520358394182624,3.462714452557683,3.473393065697104,3.484071678836525,3.494750291975946,3.5054289051153664,3.5161075182547874,3.526786131394208,zero
+270,2.92,97,3.1053416804432264e+16,2.31,0.8372475245337022,76.0,Unknown,Enzyme,1,0.005316839503384757,0.004766594132966217,7.66,4.883544291391699,3.8822819632587082,3.3397232840232087,2.9852143832021385,2.738094025871057,2.5520420356338196,2.4069707361295025,2.2926562454684607,2.2000179830170774,2.1221765221134294,0.44,0.44,0.44,0.44,0.44,0.44,0.44,0.44,0.44,0.44,0.44,2.59,3.5154852362027667,3.849239345580431,4.030092238658931,4.148261872265954,4.230635324709648,4.292652654788728,4.341009754623499,4.379114584843847,4.409994005660975,4.435941159295524,third
+273,1.49,99,1.0003844782158602e+17,4.21,1.43746264769429,111.5,Unknown,Base,0,0.011409082379733157,0.0066722525378921,1.57,1.5557353899957307,1.5416003845153528,1.527593806019073,1.5137144876148843,1.499961272917245,1.486333016381483,1.4728285827746597,1.459446847026134,1.446186694227562,1.4330470196328977,1.71,1.71,1.71,1.71,1.71,1.71,1.71,1.71,1.71,1.71,1.71,4.87,4.884264610004269,4.898399615484648,4.912406193980927,4.926285512385117,4.940038727082755,4.953666983618517,4.967171417225341,4.980553152973867,4.993813305772439,5.006952980367103,first
+270,5.72,92,1.863233518032538e+17,1.32,0.27763173659827955,122.9,Unknown,None,0,0.2959065176120677,0.24131661035288807,4.26,0.8253168587368866,0.5887930038839678,0.48230848087520706,0.4185828139970608,0.3745407436534344,0.34212102256734284,0.3170919098629348,0.29662528252405296,0.27967082539384447,0.2653257390605656,0.2,0.2,0.2,0.2,0.2,0.2,0.2,0.2,0.2,0.2,0.2,4.14,5.284894380421038,5.363735665372011,5.399230506374931,5.420472395334313,5.435153085448856,5.445959659144219,5.454302696712356,5.461124905825316,5.466776391535385,5.471558086979812,third
+280,5.23,95,9.666233866007355e+16,4.57,1.5195132049061133,162.3,Branched,Acid,0,0.18287320199609883,0.15045115048815358,4.77,0.8931865452500062,0.5330265676314432,0.3845993387916286,0.3024413122453327,0.24977993840746204,0.21305661963664208,0.18575400115224594,0.16496066562669714,0.1483509003975039,0.13474813851450615,4.64,2.701593272625003,2.5215132838157217,2.4472996693958144,2.4062206561226662,2.379889969203731,2.3615283098183206,2.3478770005761227,2.337480332813348,2.329175450198752,2.3223740692572528,0.07,2.0084067273749966,2.1884867161842783,2.2627003306041855,2.3037793438773337,2.330110030796269,2.3484716901816793,2.3621229994238773,2.3725196671866517,2.380824549801248,2.387625930742747,third
+278,8.83,93,2.21306693307813e+16,4.5,1.5040773967762742,161.9,Branched,None,1,0.07416266044229408,0.05464715135671677,7.94,6.651304941046327,5.96165278258975,5.553928363162178,5.300686884439861,5.140230563816589,5.035296989388134,4.965993031965169,4.920598752566985,4.889742101251604,4.869065597388928,4.16,2.8713049410463265,2.1816527825897496,1.7739283631621772,1.5206868844398602,1.3602305638165888,1.2552969893881334,1.1859930319651695,1.140598752566985,1.1097421012516033,1.0890655973889272,3.74,5.028695058953674,5.71834721741025,6.126071636837823,6.37931311556014,6.539769436183412,6.644703010611867,6.714006968034831,6.759401247433015,6.790257898748397,6.810934402611073,second
+277,10.2,96,2.3579712718680765e+17,2.19,0.7839015438284094,131.2,Linear,Enzyme,0,0.18573970544188995,0.14069275912300142,5.23,4.507841914050105,3.885407830175563,3.3481026453434453,2.8840560695803736,2.484647347847695,2.141675997343256,1.8473255967333473,1.5941637861526967,1.3751422672044766,1.1852663660316058,1.59,1.59,1.59,1.59,1.59,1.59,1.59,1.59,1.59,1.59,1.59,1.74,1.74,1.74,1.74,1.74,1.74,1.74,1.74,1.74,1.74,1.74,first
+270,6.15,93,1.2280676344544608e+17,3.61,1.2837077723447896,140.3,Branched,Enzyme,1,0.12492257038725113,0.07858840133625085,1.68,1.013971178920153,0.8361599500712773,0.7705598089302081,0.7439332476318405,0.73232800850277,0.7274084289623244,0.7251625925706428,0.7243698582040701,0.7238534887873839,0.7236756110862638,2.94,2.606985589460076,2.518079975035638,2.485279904465104,2.47196662381592,2.4661640042513846,2.463704214481162,2.4625812962853213,2.462184929102035,2.4619267443936916,2.461837805543132,1.57,1.9030144105399234,1.9919200249643614,2.024720095534896,2.03803337618408,2.043835995748615,2.0462957855188377,2.0474187037146785,2.0478150708979648,2.048073255606308,2.048162194456868,third
+270,9.61,94,1.6494526075046394e+17,2.45,0.8960880245566357,69.0,Ring,Base,1,0.10747064385878877,0.06406247121232696,7.85,7.3869546590369515,6.983288305833422,6.630816649275614,6.322848692401631,6.054619954386612,5.821562083368809,5.619284865887841,5.443576226884699,5.290402229701744,5.15597572573116,4.4,4.4,4.4,4.4,4.4,4.4,4.4,4.4,4.4,4.4,4.4,3.5,3.963045340963048,4.366711694166578,4.719183350724386,5.027151307598369,5.2953800456133875,5.528437916631191,5.730715134112159,5.906423773115301,6.0595977702982555,6.194024274268839,first
+272,9.78,96,1.927418928660691e+17,2.3,0.8329091229351039,30.3,Branched,None,1,0.07055941596507866,0.06094363576579019,8.62,8.295124630557238,8.002691668913787,7.739354230047583,7.502133199641272,7.28864252844854,7.096638700002583,6.924006861790764,6.768760825254613,6.6290430657898245,6.503124722746257,0.16,0.16,0.16,0.16,0.16,0.16,0.16,0.16,0.16,0.16,0.16,2.96,3.2848753694427604,3.577308331086212,3.840645769952416,4.077866800358727,4.291357471551459,4.483361299997417,4.655993138209235,4.811239174745386,4.950956934210176,5.076875277253742,first
+272,8.37,100,3.1921949559569216e+17,1.84,0.6097655716208943,134.5,Unknown,None,0,0.01992893315168364,0.017454033642253328,5.34,5.324056853478653,5.3081137069573066,5.2921705604359595,5.276227413914612,5.260284267393265,5.244341120871918,5.228397974350572,5.212454827829225,5.196511681307878,5.180568534786531,1.13,1.13,1.13,1.13,1.13,1.13,1.13,1.13,1.13,1.13,1.13,1.29,1.305943146521347,1.3218862930426938,1.3378294395640407,1.3537725860853875,1.3697157326067344,1.3856588791280815,1.4016020256494284,1.4175451721707752,1.4334883186921221,1.449431465213469,zero
+280,6.15,98,9.850139599990726e+16,0.55,-0.5978370007556204,35.0,Branched,Acid,1,0.05136391114593827,0.03210053505778922,6.05,5.856219329391068,5.674955275911896,5.505391324802692,5.346765070207228,5.198388862154972,5.059610286553416,4.92981053955835,4.8084044275738576,4.69484036725232,4.588600385494417,1.19,1.19,1.19,1.19,1.19,1.19,1.19,1.19,1.19,1.19,1.19,1.88,2.0737806706089326,2.255044724088104,2.4246086751973084,2.5832349297927726,2.7316111378450283,2.870389713446584,3.0001894604416504,3.121595572426143,3.2351596327476795,3.341399614505583,first
+273,13.62,96,3.6311910286768326e+17,4.47,1.4973884086254774,114.8,Unknown,Acid,0,0.15529612977859336,0.13009378692036488,3.34,1.0959055639167052,0.7971029134930412,0.6567579668680974,0.5718864520276216,0.5126966115927962,0.46928801561065187,0.43501782313688087,0.4072301308981914,0.38424985980399495,0.3647530412632509,3.02,3.02,3.02,3.02,3.02,3.02,3.02,3.02,3.02,3.02,3.02,1.81,2.558031478694432,2.6576323621689864,2.704414011043968,2.7327045159907932,2.7524344628024013,2.7669039947964498,2.7783273922877063,2.7875899563672695,2.7952500467320016,2.8017489862455833,third
+270,2.56,94,2.104221608725832e+17,2.95,1.0818051703517284,36.9,Branched,Base,0,0.1371012723144914,0.11928723771680211,7.42,1.2192744913061249,0.8673390625409192,0.710112183484665,0.6154408100781265,0.5510612728422561,0.5029592541155445,0.4660058377992101,0.4361713636255717,0.41118980234123803,0.39006233829461656,4.13,4.13,4.13,4.13,4.13,4.13,4.13,4.13,4.13,4.13,4.13,0.84,2.906908502897959,3.0242203124863605,3.076629272171778,3.1081863966406242,3.1296462423859146,3.1456802486281514,3.1579980540669297,3.167942878791476,3.176270065886254,3.1833125539017946,third
+278,8.97,98,1.7891977659896422e+17,2.73,1.0043016091968684,104.9,Branched,Enzyme,0,0.0689196757331072,0.05554020209424535,4.48,3.0034985111597345,2.2652922833876126,1.8145819118557704,1.5114192757776497,1.2972623416192999,1.135433039231245,1.008839202025067,0.9085181174111412,0.8266324012474713,0.7576208267250133,0.78,0.78,0.78,0.78,0.78,0.78,0.78,0.78,0.78,0.78,0.78,4.64,5.378250744420133,5.747353858306194,5.972709044072115,6.124290362111175,6.23136882919035,6.3122834803843775,6.375580398987466,6.425740941294429,6.4666837993762645,6.5011895866374925,second
+280,10.93,92,3.326274951551418e+17,4.54,1.5129270120532565,73.6,Branched,Enzyme,1,2.2831160476429386,1.8083973076811495,7.62,1.6119999347104188,1.6129650369330755,1.6114251750953237,1.6103762784544058,1.6114345738737235,1.6133110297216429,1.6122211514876597,1.6104186417222872,1.6107027450459999,1.612003880963732,3.43,3.43,3.43,3.43,3.43,3.43,3.43,3.43,3.43,3.43,3.43,3.28,5.28266668842986,5.282344987688976,5.282858274968226,5.283207907181864,5.282855142042092,5.282229656759451,5.282592949504113,5.283193786092571,5.283099084984668,5.282665373012091,third
+274,2.09,95,1.522496713200548e+17,1.17,0.1570037488096647,65.9,Branched,None,0,0.1178560539638596,0.07045060188916646,6.1,2.8409031308575834,1.8522761194510342,1.373166136976405,1.0918680814748796,0.905775088305556,0.7745675285662298,0.6755980457499419,0.5996843675390451,0.5393612015091894,0.48958139666477885,2.28,2.28,2.28,2.28,2.28,2.28,2.28,2.28,2.28,2.28,2.28,0.91,2.5395484345712083,3.033861940274483,3.2734169315117976,3.41406595926256,3.507112455847222,3.5727162357168853,3.622200977125029,3.6601578162304773,3.6903193992454053,3.7152093016676107,second
+280,7.0,99,4.411423536270764e+17,1.91,0.6471032420585384,37.4,Linear,Base,0,0.14970469920065363,0.08615150378051974,7.36,5.407368843288706,4.615885737382389,4.217034514257966,3.993894714409167,3.8611496595325687,3.7802761161423,3.7294238600190237,3.6974421829660553,3.676919708476201,3.663816182485684,3.72,1.7673688432887067,0.9758857373823904,0.5770345142579671,0.35389471440916775,0.22114965953256954,0.1402761161423006,0.08942386001902441,0.05744218296605562,0.03691970847620145,0.02381618248568456,0.11,2.0626311567112934,2.85411426261761,3.2529654857420334,3.4761052855908328,3.608850340467431,3.6897238838577,3.740576139980976,3.7725578170339444,3.7930802915237987,3.8061838175143157,second
+278,8.21,99,2.589052041636952e+16,1.25,0.22314355131420976,68.6,Ring,None,0,0.006470300984769702,0.004274442524414331,8.34,8.245048847234083,8.155079584348348,8.069750009751628,7.988746797792038,7.9117917341933275,7.838626302596471,7.7690099876806045,7.702720275163022,7.639552651799181,7.579320605382696,2.26,2.1650488472340825,2.075079584348348,1.9897500097516272,1.9087467977920367,1.8317917341933265,1.7586263025964706,1.689009987680604,1.6227202751630219,1.55955265179918,1.4993206053826955,1.72,1.8149511527659177,1.904920415651652,1.9902499902483728,2.0712532022079633,2.1482082658066735,2.2213736974035294,2.290990012319396,2.357279724836978,2.42044734820082,2.4806793946173045,second
+270,11.42,97,3.403789290410449e+17,3.18,1.1568811967920856,31.6,Ring,Enzyme,0,0.05827829341429894,0.047800518639189805,3.56,2.672241035948156,2.1434936999568914,1.78633864944433,1.533316416963408,1.3410716323627827,1.1923135947686498,1.074291776819045,0.9768448947174306,0.895298445982963,0.826321091354014,1.09,1.09,1.09,1.09,1.09,1.09,1.09,1.09,1.09,1.09,1.09,3.74,4.183879482025922,4.448253150021555,4.626830675277835,4.753341791518297,4.849464183818609,4.923843202615676,4.982854111590479,5.031577552641286,5.07235077700852,5.106839454322994,second
+270,7.28,95,4.9938099693961446e+17,2.38,0.8671004876833833,118.5,Linear,Base,1,0.20840752884101502,0.16402316401154013,5.4,2.3760410395269083,1.940336685313982,1.838511006652898,1.8119790215665417,1.8049414532753298,1.8036587840261005,1.8025372663540287,1.8030764211847778,1.8026862202334732,1.802713422798991,0.34,0.34,0.34,0.34,0.34,0.34,0.34,0.34,0.34,0.34,0.34,2.33,3.8419794802365463,4.059831657343009,4.110744496673551,4.124010489216729,4.127529273362335,4.12817060798695,4.128731366822986,4.128461789407611,4.128656889883263,4.128643288600505,second
+276,13.67,91,9.113967364181635e+16,4.11,1.4134230285081433,66.5,Ring,Enzyme,1,0.5454999601346948,0.405788673219373,3.02,2.842702828874877,2.764879256835107,2.7257522310230393,2.708028423363797,2.698807754208091,2.69530800044223,2.6935456530613315,2.6921752576661326,2.69214433967063,2.69219226829107,4.85,4.85,4.85,4.85,4.85,4.85,4.85,4.85,4.85,4.85,4.85,3.29,3.4672971711251233,3.545120743164893,3.5842477689769607,3.601971576636203,3.611192245791909,3.61469199955777,3.6164543469386685,3.6178247423338674,3.61785566032937,3.61780773170893,first
+273,3.94,92,4.333277296140699e+17,2.49,0.9122827104766164,42.3,Branched,Acid,1,1.0796882371186936,0.6099465843684723,1.95,1.3701851863017824,1.3708568609366902,1.3701012802896622,1.370185469525548,1.3704934261154613,1.3701189388997916,1.3707304616922527,1.3697074411908963,1.3711134805721317,1.37068060027958,0.93,0.93,0.93,0.93,0.93,0.93,0.93,0.93,0.93,0.93,0.93,4.36,4.553271604566073,4.553047713021104,4.55329957323678,4.553271510158151,4.553168857961513,4.5532936870334035,4.5530898461025835,4.553430852936369,4.552962173142624,4.553106466573475,third
+273,3.05,98,7.172044401535345e+16,4.83,1.5748464676644813,109.4,Ring,None,0,0.01270776950829067,0.009261108685074754,3.61,3.5998337843933674,3.589667568786735,3.5795013531801025,3.5693351375734697,3.559168921966837,3.5490027063602048,3.5388364907535723,3.52867027514694,3.518504059540307,3.5083378439336745,3.29,3.29,3.29,3.29,3.29,3.29,3.29,3.29,3.29,3.29,3.29,0.32,0.33016621560663256,0.34033243121326506,0.3504986468198976,0.3606648624265302,0.37083107803316273,0.3809972936397953,0.3911635092464278,0.40132972485306034,0.41149594045969284,0.4216621560663254,zero
+270,1.87,97,1.868496350109012e+17,0.97,-0.030459207484708574,85.8,Ring,Enzyme,1,0.031991633219478365,0.023305940478236663,4.57,2.3236902824318304,1.851446375362124,1.6491672284399426,1.5440160727869439,1.4841826692150286,1.4490890681172508,1.4280929374163323,1.414472299031521,1.4065770906090205,1.4017935073608188,2.52,2.52,2.52,2.52,2.52,2.52,2.52,2.52,2.52,2.52,2.52,2.65,3.3987699058560565,3.5561845415459583,3.6236109238533523,3.6586613090710185,3.6786057769283236,3.6903036439609163,3.697302354194556,3.7018425669894928,3.7044743031303264,3.7060688308797274,third
+277,9.3,90,4.5833546218722464e+17,4.69,1.545432582458188,173.5,Branched,Acid,0,4.8868252966689205,3.412482079849165,3.77,-0.13946023733513524,-4.048920474670274,-7.958380712005411,-11.867840949340545,-15.77730118667568,-19.68676142401082,-23.596221661345957,-27.50568189868109,-31.415142136016218,-35.324602373351354,1.39,1.39,1.39,1.39,1.39,1.39,1.39,1.39,1.39,1.39,1.39,0.75,4.659460237335136,8.568920474670273,12.47838071200541,16.387840949340543,20.297301186675682,24.20676142401082,28.116221661345957,32.025681898681086,35.93514213601622,39.84460237335135,zero
+270,1.6,98,3.6089333569883526e+17,1.43,0.3576744442718159,152.6,Branched,Base,0,0.039578050986161094,0.025449591002711033,7.02,6.988337559211071,6.956675118422141,6.925012677633212,6.893350236844284,6.861687796055355,6.830025355266426,6.798362914477497,6.7667004736885685,6.73503803289964,6.70337559211071,0.57,0.57,0.57,0.57,0.57,0.57,0.57,0.57,0.57,0.57,0.57,4.03,4.061662440788929,4.093324881577859,4.1249873223667874,4.156649763155716,4.188312203944645,4.219974644733574,4.2516370855225025,4.283299526311431,4.31496196710036,4.346624407889289,zero
+273,3.47,96,2.093545920726777e+17,2.64,0.9707789171582248,33.2,Unknown,Enzyme,0,0.08953524516750648,0.052759453354010895,2.8,2.6064553324791544,2.426289225873536,2.258568651688615,2.1024212361809376,1.9570710294612121,1.821785216399686,1.6958703379809639,1.5786722913040108,1.4695763295821482,1.368007062143058,1.81,1.81,1.81,1.81,1.81,1.81,1.81,1.81,1.81,1.81,1.81,3.48,3.6735446675208454,3.853710774126464,4.021431348311385,4.177578763819062,4.322928970538787,4.458214783600314,4.584129662019036,4.701327708695989,4.810423670417852,4.911992937856942,first
+273,9.22,91,3.9576764373653446e+17,3.91,1.3635373739972745,197.6,Branched,None,0,1.5320211536151978,1.371805302375673,7.87,2.311162237963043,0.6785631366576066,0.19958394736925947,0.058718772368511044,0.017245160615826535,0.0050660223338922,0.0014902817356940113,0.0004387031232239649,0.0001290922836950806,3.813043009259268e-05,1.92,1.92,1.92,1.92,1.92,1.92,1.92,1.92,1.92,1.92,1.92,3.97,9.528837762036957,11.161436863342393,11.64041605263074,11.781281227631489,11.822754839384173,11.834933977666108,11.838509718264305,11.839561296876775,11.839870907716305,11.839961869569906,first
+271,13.5,90,3.3732451791375456e+17,2.81,1.0331844833456545,127.9,Linear,Base,0,1.5139933068554925,0.9190029737406378,5.25,1.374117808996947,1.3174039396517059,1.3109189719841212,1.310115530072338,1.3100142380779107,1.3100017387494913,1.3099999554848882,1.3099998791903458,1.3100001495808806,1.3100004586767673,1.97,0.03205890449847377,0.0037019698258532858,0.0004594859920608979,5.776503616931558e-05,7.119038955654248e-06,8.693747460694209e-07,-2.2257555500571657e-08,-6.04048267517244e-08,7.479044070928851e-08,2.2933838401210895e-07,0.13,2.067941095501526,2.0962980301741463,2.0995405140079386,2.09994223496383,2.099992880961044,2.0999991306252537,2.100000022257555,2.100000060404826,2.0999999252095587,2.0999997706616154,third
+279,8.36,94,3.986703817675314e+17,4.49,1.501852701754163,61.6,Ring,Base,0,1.0027917558508699,0.7440736771065066,7.37,3.3045572781355856,1.4815709578885738,0.6642532464835476,0.2980970911229913,0.13384742509406433,0.06009252929218243,0.026952848106780017,0.012083679684842873,0.0054205450546109535,0.0024354044387958403,1.56,1.56,1.56,1.56,1.56,1.56,1.56,1.56,1.56,1.56,1.56,2.57,6.635442721864414,8.458429042111426,9.275746753516453,9.641902908877007,9.806152574905935,9.879907470707817,9.913047151893219,9.927916320315155,9.934579454945387,9.937564595561202,first
+278,1.48,97,4.5059691345418054e+17,3.05,1.1151415906193203,119.1,Ring,Acid,1,0.26753109396007924,0.20598706555237878,8.14,2.6219715053227106,2.312383929676726,2.276631997024992,2.27229217341304,2.2718842345035384,2.27249970574636,2.2684283972959,2.2753884264154163,2.2712631036844555,2.2734713945996585,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,3.77,6.529014247338646,6.683808035161638,6.7016840014875045,6.703853913293481,6.704057882748232,6.70375014712682,6.705785801352051,6.702305786792293,6.704368448157773,6.7032643027001715,second
+280,13.14,97,3.4149060011755226e+17,3.08,1.1249295969854831,44.4,Unknown,Acid,1,0.2736235528876137,0.2428858761958295,8.55,7.4894667224655365,6.78790544523066,6.322639886487325,6.017984905204379,5.814133877408557,5.679509208119202,5.59195697189276,5.53261700799543,5.493565328135801,5.468030394633331,2.31,2.31,2.31,2.31,2.31,2.31,2.31,2.31,2.31,2.31,2.31,2.97,4.030533277534465,4.732094554769341,5.1973601135126755,5.502015094795621,5.705866122591443,5.840490791880798,5.928043028107241,5.98738299200457,6.0264346718642,6.051969605366669,first
+274,12.82,90,3.8713962654199917e+17,2.86,1.0508216248317612,131.8,Linear,Base,0,2.6908187598717377,1.5004730853352934,3.3,0.277887877571233,0.1967394091136114,0.16076976945723037,0.13933051003333544,0.12459294256347273,0.1137369092877193,0.10538173807159842,0.09855862799457193,0.09290434316635228,0.08812334500884701,4.41,4.41,4.41,4.41,4.41,4.41,4.41,4.41,4.41,4.41,4.41,4.68,5.687370707476255,5.714420196962129,5.726410076847589,5.733556496655554,5.7384690191455086,5.742087696904093,5.744872753976133,5.747147124001809,5.749031885611216,5.750625551663718,third
+272,2.95,100,4.2207485615674963e+17,2.55,0.9360933591703348,155.4,Linear,None,0,0.026350212657462343,0.013384279646503065,5.72,4.608271810544978,3.859921428575407,3.3182730028917256,2.9140451054520335,2.598016393240219,2.3408086889469217,2.1306729699855245,1.956508089570719,1.8088501935003587,1.6807843500459088,4.31,4.31,4.31,4.31,4.31,4.31,4.31,4.31,4.31,4.31,4.31,4.43,4.985864094727511,5.360039285712296,5.630863498554136,5.832977447273982,5.99099180337989,6.119595655526538,6.224663515007237,6.31174595521464,6.38557490324982,6.449607824977045,second
+279,8.01,92,3.621075038726309e+17,0.51,-0.6733445532637656,160.9,Ring,Base,1,2.1571964412309117,1.4735124061160678,4.16,1.355562694968743,1.3538929463704925,1.354490876041536,1.3549458671740904,1.3548391450896016,1.355631124796879,1.357000539817305,1.3567598321235177,1.356747351150818,1.3557418596146142,3.64,3.64,3.64,3.64,3.64,3.64,3.64,3.64,3.64,3.64,3.64,2.71,3.644812435010419,3.6453690178765026,3.6451697079861543,3.645018044275303,3.6450536183034656,3.6447896250677063,3.644333153394231,3.6444133892921604,3.644417549616394,3.6447527134617945,third
+278,7.0,91,1.7121014634002077e+17,3.12,1.1378330018213911,86.1,Unknown,None,1,1.3630839360137896,0.9028345353710145,2.01,1.2350635632948854,1.2329863067647264,1.2341913400264715,1.235427209864419,1.234435050180019,1.2335328030255246,1.2326706511206404,1.233466920204439,1.2339852610119164,1.2348293179712273,4.15,4.15,4.15,4.15,4.15,4.15,4.15,4.15,4.15,4.15,4.15,1.91,2.297468218352557,2.298506846617636,2.297904329986764,2.2972863950677906,2.2977824749099907,2.298233598487238,2.2986646744396806,2.2982665398977815,2.2980073694940426,2.297585341014387,second
+273,1.75,94,1.356932690787087e+17,1.57,0.45107561936021673,185.8,Unknown,Enzyme,1,0.14007318945893255,0.07270311878873344,6.99,6.547699678834874,6.3599765075373424,6.276274286127494,6.2383479238655015,6.22091329111367,6.212813694301871,6.209171293434502,6.207393698511178,6.206661300902837,6.20627253319727,0.95,0.5076996788348738,0.3199765075373424,0.23627428612749427,0.19834792386550099,0.18091329111367005,0.17281369430187082,0.1691712934345017,0.16739369851117755,0.16666130090283626,0.16627253319726926,1.2,1.6423003211651261,1.8300234924626573,1.9137257138725055,1.9516520761344989,1.9690867088863298,1.977186305698129,1.980828706565498,1.9826063014888222,1.9833386990971635,1.9837274668027303,second
+277,3.16,97,4.678461665131581e+16,4.48,1.4996230464268938,71.1,Linear,Base,0,0.023872054639805896,0.018962946802142337,1.51,1.4909023562881554,1.4718047125763107,1.4527070688644659,1.4336094251526212,1.4145117814407766,1.3954141377289317,1.376316494017087,1.3572188503052423,1.3381212065933976,1.3190235628815528,0.09,0.09,0.09,0.09,0.09,0.09,0.09,0.09,0.09,0.09,0.09,1.73,1.7490976437118446,1.7681952874236893,1.7872929311355341,1.8063905748473787,1.8254882185592234,1.8445858622710682,1.8636835059829129,1.8827811496947577,1.9018787934066024,1.9209764371184472,zero
+275,2.38,94,3.038238925578237e+17,2.04,0.712949807856125,96.8,Branched,Acid,0,0.4238648341341804,0.3453972467453987,3.54,3.3076606512840088,3.235602656384961,3.2119505223801217,3.204032014884256,3.2013629452221757,3.20046102979103,3.2001559356407197,3.200052644940937,3.200017755886278,3.2000062599778976,0.34,0.10766065128400848,0.03560265638496066,0.01195052238012172,0.004032014884255538,0.0013629452221757656,0.00046102979102981083,0.00015593564071980913,5.264494093700371e-05,1.7755886278059025e-05,6.259977897713721e-06,4.66,4.892339348715992,4.9643973436150395,4.988049477619878,4.995967985115745,4.9986370547778245,4.99953897020897,4.99984406435928,4.999947355059063,4.999982244113721,4.999993740022102,second
+277,8.09,96,8.255531359804058e+16,2.51,0.9202827531436925,148.3,Unknown,Enzyme,1,0.0650296287037241,0.04933985112662593,9.61,5.779538249013574,5.520094434303165,5.479784595162217,5.4729410145294235,5.471805397913204,5.471651847977681,5.471489696135369,5.471637518197624,5.471447959935078,5.47169648555679,2.22,0.3047691245067874,0.1750472171515827,0.15489229758110842,0.1514705072647117,0.15090269895660166,0.15082592398884007,0.15074484806768387,0.15081875909881148,0.1507239799675385,0.15084824277839462,3.88,5.795230875493212,5.9249527828484165,5.945107702418891,5.948529492735288,5.949097301043398,5.949174076011159,5.9492551519323165,5.949181240901188,5.949276020032461,5.949151757221605,third
+276,7.2,90,6.355697951955877e+16,3.5,1.252762968495368,187.7,Branched,Base,0,0.5881841010938557,0.41314249422956173,3.53,3.3905829867412365,3.3900030873319964,3.390000630809147,3.389999900134366,3.3900006466013464,3.389997825765098,3.390000290774439,3.3900014100543454,3.389999279195903,3.3900005108504834,0.07,0.0002914933706183484,1.5436659983770557e-06,3.154045734302142e-07,-4.993281691574571e-08,3.233006731487479e-07,-1.0871174510715468e-06,1.4538721930557818e-07,7.05027172664339e-07,-3.604020488691013e-07,2.5542524147555617e-07,1.53,1.5997085066293817,1.5999984563340017,1.5999996845954265,1.6000000499328169,1.5999996766993267,1.600001087117451,1.5999998546127805,1.5999992949728272,1.6000003604020485,1.5999997445747582,third
+276,9.41,100,3.835862856220289e+17,4.19,1.4327007339340465,62.9,Unknown,None,1,0.04545538375841315,0.030995963806613177,1.7,1.4173430811389371,1.2828036810715746,1.2021830224553987,1.1531879842305752,1.1222436981965866,1.1028903287335785,1.0894908810715436,1.0806831491186069,1.0752091502927656,1.0714173441658146,1.12,1.12,1.12,1.12,1.12,1.12,1.12,1.12,1.12,1.12,1.12,1.55,1.6442189729536876,1.6890654396428084,1.7159389925148671,1.7322706719231415,1.742585433934471,1.7490365570888071,1.7535030396428188,1.7564389502937976,1.7582636165690781,1.7595275519447284,third
+270,3.36,90,2.7414327611909302e+17,4.79,1.5665304114228238,90.3,Linear,None,1,1.0612118114825357,0.8810767943666447,9.0,5.708562956214412,5.01413297842089,4.866999462843614,4.83573750897446,4.828150424370387,4.826901070856186,4.826837777205671,4.8262121176897885,4.8256600439111095,4.8287850308113205,0.92,0.92,0.92,0.92,0.92,0.92,0.92,0.92,0.92,0.92,0.92,1.64,4.931437043785588,5.6258670215791104,5.773000537156387,5.804262491025541,5.811849575629614,5.813098929143814,5.81316222279433,5.813787882310212,5.814339956088891,5.81121496918868,first
+279,10.25,100,4.292643756274483e+16,4.48,1.4996230464268938,132.1,Ring,Enzyme,1,0.008127471742430918,0.005828283797967153,5.14,5.0733857553413095,5.010265097943678,4.950405505923098,4.893592195490025,4.839632493002413,4.788349065794766,4.739576383663893,4.693160718868908,4.64896014613123,4.606844542634583,2.56,2.49338575534131,2.430265097943678,2.3704055059230984,2.313592195490026,2.2596324930024143,2.208349065794767,2.1595763836638944,2.113160718868909,2.068960146131231,2.026844542634584,3.67,3.73661424465869,3.799734902056322,3.8595944940769016,3.916407804509974,3.9703675069975857,4.0216509342052325,4.070423616336106,4.1168392811310905,4.161039853868769,4.2031554573654155,second
+270,2.66,95,4.148033088243716e+17,4.3,1.4586150226995167,168.3,Unknown,Base,1,0.17311057704828334,0.10830685149613992,3.11,1.3756671877663522,1.118046145755725,1.040251026848259,1.01314764296861,1.0030893419118352,0.9998056676850797,0.9981396310087052,0.9979378790181763,0.9976374161444701,0.9975288800501423,2.45,1.5828335938831761,1.4540230728778625,1.4151255134241296,1.401573821484305,1.3965446709559177,1.39490283384254,1.3940698155043527,1.3939689395090884,1.3938187080722353,1.3937644400250715,1.16,2.0271664061168235,2.155976927122137,2.1948744865758703,2.2084261785156944,2.213455329044082,2.2150971661574594,2.215930184495647,2.2160310604909115,2.2161812919277644,2.2162355599749284,third
+279,1.97,99,3.4715066443162054e+17,1.87,0.6259384308664954,56.2,Unknown,Base,1,0.10115242867712633,0.06712674825902425,1.27,1.1280069964709711,1.0767451332794704,1.0549692805381974,1.0453636183704265,1.0416590565918153,1.039619980834548,1.0391893371325946,1.0387210629571892,1.038528013433394,1.0385264377910792,1.88,1.88,1.88,1.88,1.88,1.88,1.88,1.88,1.88,1.88,1.88,1.61,1.657331001176343,1.6744182889068433,1.6816769064872676,1.6848787938765246,1.6861136478027283,1.6867933397218173,1.6869368876224684,1.6870929790142704,1.6871573288555355,1.6871578540696404,third
+274,12.35,93,1.7732504412103546e+17,4.65,1.536867219599265,29.2,Branched,Acid,0,0.33025859120009293,0.22570994825335935,1.22,0.9367221925631734,0.719235873505291,0.551779680624527,0.42350976614902985,0.3256586611967561,0.25029719377458504,0.19203562726638518,0.14745482387022008,0.11337954020864532,0.08708515848030977,4.86,4.86,4.86,4.86,4.86,4.86,4.86,4.86,4.86,4.86,4.86,3.36,3.36,3.36,3.36,3.36,3.36,3.36,3.36,3.36,3.36,3.36,first
+272,7.99,92,2.971213700285729e+17,3.7,1.308332819650179,182.5,Linear,None,1,0.6378182782131624,0.46692666459998866,5.38,5.4730657368167925,5.476067610569094,5.476063739170063,5.4761837816748775,5.476131218374333,5.475934345492465,5.475783586497016,5.475621937315874,5.475435445956553,5.475709935631393,0.53,0.6230657368167922,0.6260676105690938,0.6260637391700627,0.6261837816748779,0.6261312183743333,0.6259343454924646,0.6257835864970152,0.6256219373158739,0.6254354459565521,0.6257099356313928,4.78,4.686934263183208,4.683932389430906,4.683936260829937,4.683816218325123,4.683868781625667,4.684065654507535,4.684216413502984,4.684378062684126,4.6845645540434475,4.684290064368607,second
+278,9.15,90,5.651023109538844e+16,4.64,1.534714366238164,137.6,Linear,Acid,0,0.6934599105107796,0.6064798808938392,3.62,2.0778925128223826,1.1934455028919837,0.6855170276678259,0.3937772800841133,0.22645245911421302,0.12993647684309795,0.07476121261263399,0.04289383419649359,0.02467313951998928,0.014170472782756271,4.32,4.32,4.32,4.32,4.32,4.32,4.32,4.32,4.32,4.32,4.32,3.17,3.17,3.17,3.17,3.17,3.17,3.17,3.17,3.17,3.17,3.17,first
+273,13.18,97,5.267403264477866e+16,1.65,0.5007752879124892,60.4,Linear,Base,0,0.01449991699802577,0.010507051383459231,4.03,2.763320709364176,2.2334297289892593,1.9254483278279104,1.7167984882879668,1.5642231200047623,1.4470214482436088,1.3517838238022895,1.2732595733696273,1.2072183620532602,1.1504283870644347,4.5,4.5,4.5,4.5,4.5,4.5,4.5,4.5,4.5,4.5,4.5,0.28,0.7022264302119413,0.8788567570035802,0.9815172240573632,1.0510671705706778,1.1019256266650792,1.1409928505854636,1.172738725399237,1.1989134755434576,1.2209272126489132,1.239857204311855,third
+280,8.3,96,2.3860021802142893e+17,4.78,1.5644405465033646,185.6,Linear,None,0,0.29376806563863866,0.22382944738550972,7.64,5.279323204649963,4.770009945470852,4.616691156623424,4.566140354477919,4.5489750015535835,4.543088679021442,4.5410636250403735,4.540366439912995,4.540126403566451,4.540043577439841,3.1,0.739323204649963,0.23000994547085157,0.07669115662342427,0.026140354477919407,0.008975001553584066,0.0030886790214425643,0.001063625040373875,0.0003664399129955768,0.00012640356645194113,4.357743984172662e-05,2.5,4.860676795350037,5.369990054529149,5.523308843376577,5.573859645522082,5.591024998446417,5.596911320978559,5.598936374959627,5.599633560087006,5.599873596433549,5.59995642256016,second
+271,3.16,92,2.000298977672536e+17,0.99,-0.01005033585350145,176.5,Unknown,Acid,1,0.369540071633862,0.2934767788751463,1.9,1.1571545192652062,0.9152399822648097,0.8211607329528262,0.7822091813814603,0.7658599251660001,0.7585238321943836,0.7556179899804382,0.7541032408643854,0.7537040444250167,0.7534021191227323,2.43,1.6871545192652064,1.4452399822648099,1.3511607329528263,1.3122091813814607,1.2958599251660006,1.288523832194384,1.2856179899804387,1.2841032408643858,1.2837040444250172,1.2834021191227327,0.07,0.8128454807347937,1.0547600177351901,1.1488392670471737,1.1877908186185393,1.2041400748339994,1.211476167805616,1.2143820100195613,1.2158967591356142,1.2162959555749828,1.2165978808772673,second
+275,5.73,97,2.080626560082636e+17,3.87,1.3532545070416904,30.4,Ring,None,1,0.07815316749034301,0.06264777232168456,1.64,0.8996309394851496,0.6661837213291955,0.5600931485144852,0.5048869015779518,0.47354239164020695,0.455672147345305,0.44471754740904085,0.4383607793793059,0.4344681936837995,0.43203039198473747,4.61,4.239815469742575,4.123091860664598,4.070046574257243,4.042443450788976,4.026771195820103,4.017836073672653,4.012358773704521,4.009180389689654,4.0072340968419,4.0060151959923695,0.31,0.6801845302574251,0.7969081393354022,0.8499534257427573,0.877556549211024,0.8932288041798964,0.9021639263273473,0.9076412262954794,0.9108196103103469,0.9127659031581001,0.9139848040076312,third
+280,1.96,100,2.930590870055812e+17,2.48,0.9082585601768908,53.1,Linear,Acid,1,0.06472213661706372,0.03954779744686572,1.92,1.9194149727179401,1.9189485096999508,1.9185765248887225,1.9182753450579837,1.918032672326542,1.917842034202116,1.9176954483476,1.9175834225810635,1.9174949548757518,1.9174186125148664,0.01,0.009707486358970075,0.009474254849975446,0.009288262444361371,0.009137672528991857,0.009016336163271058,0.008921017101058118,0.008847724173800054,0.008791711290531756,0.008747477437876,0.008709306257433347,0.05,0.05029251364102993,0.05052574515002456,0.05071173755563863,0.05086232747100815,0.05098366383672894,0.05107898289894188,0.051152275826199946,0.051208288709468246,0.051252522562124,0.05129069374256665,third
+278,12.22,98,3.051870479138748e+17,4.4,1.4816045409242156,151.6,Branched,Acid,1,0.11755767182357561,0.08395516532572167,9.19,8.65850822614097,8.206158198079775,7.820385586750398,7.491185460631355,7.211573175498526,6.9748478410320764,6.77455650282404,6.604494142378313,6.458730104611598,6.333893378866422,4.42,4.42,4.42,4.42,4.42,4.42,4.42,4.42,4.42,4.42,4.42,4.3,4.831491773859031,5.283841801920224,5.669614413249602,5.998814539368645,6.278426824501474,6.515152158967924,6.7154434971759605,6.885505857621688,7.0312698953884025,7.156106621133579,first
+273,6.96,96,2.1584725117184675e+17,4.02,1.3912819026309295,67.7,Ring,Enzyme,0,0.09231197826171698,0.07464026560369941,9.85,1.4873928419141502,1.058460933436114,0.8654772934557777,0.7505942865205479,0.671435076850162,0.6136423181258641,0.5680398514096459,0.5313292037801408,0.5011083565368466,0.4754863672527021,4.1,4.1,4.1,4.1,4.1,4.1,4.1,4.1,4.1,4.1,4.1,0.75,3.5375357193619497,3.6805130221879616,3.7448409021814073,3.783135237826484,3.8095216410499457,3.8287858939580452,3.8439867161967847,3.856223598739953,3.8662972144877177,3.8748378775824324,third
+272,12.35,100,4.733520574432923e+17,1.83,0.6043159668533296,111.4,Unknown,None,1,0.029551457978453714,0.02621588041198738,2.47,2.4933451265294218,2.5148659777921747,2.5346908599471236,2.5529332197774077,2.5697002857527416,2.5850958317788497,2.5992201771974663,2.6121701867863347,2.6240392707592095,2.634917384765853,0.04,0.0633451265294212,0.08486597779217425,0.10469085994712335,0.12293321977740743,0.1397002857527412,0.15509583177884928,0.16922017719746574,0.18217018678633445,0.19403927075920913,0.20491738476585286,1.27,1.246654873470579,1.2251340222078257,1.2053091400528768,1.1870667802225927,1.1702997142472589,1.1549041682211507,1.1407798228025343,1.1278298132136655,1.115960729240791,1.105082615234147,second
+277,1.35,93,1.9435771588376307e+17,2.47,0.9042181506398859,177.4,Ring,Base,0,0.563256982627685,0.3894308341256571,6.34,0.6066223246711484,0.429808257825948,0.3512174480962953,0.3044997318431846,0.27222211732607127,0.24859297313327364,0.230295331179079,0.21536514302520715,0.20302089198313672,0.19258039053496379,0.48,0.48,0.48,0.48,0.48,0.48,0.48,0.48,0.48,0.48,0.48,1.29,3.201125891776284,3.260063914058018,3.286260850634569,3.301833422718939,3.3125926275579767,3.320469008955576,3.326568222940308,3.331544952324932,3.3356597026722885,3.3391398698216794,third
+278,13.28,96,1.2067164143436314e+17,1.97,0.6780335427498971,46.1,Unknown,Base,0,0.1104313669133105,0.05894336791988021,3.76,3.5883370690318532,3.4683899405724854,3.3825146146639926,3.320643823676005,3.275151914062898,3.2412893150075375,3.216221495686227,3.197482051184822,3.1833622386661893,3.172751718035031,0.62,0.44833706903185316,0.32838994057248566,0.24251461466399277,0.1806438236760056,0.13515191406289823,0.10128931500753774,0.07622149568622759,0.057482051184822615,0.04336223866618974,0.03275171803503121,2.59,2.7616629309681464,2.8816100594275142,2.967485385336007,3.0293561763239945,3.0748480859371017,3.108710684992462,3.1337785043137725,3.1525179488151776,3.1666377613338104,3.177248281964969,second
+273,2.72,92,1.3875544554560694e+17,4.58,1.5216989981260935,122.2,Linear,Acid,0,0.345725907098494,0.29047290341023174,2.72,1.3609820451823,1.0675550181874793,0.923520075209387,0.8352665135036279,0.7738613554378005,0.7288990822464804,0.6938897483445124,0.6658383707991437,0.6429473287592541,0.6238052433064281,1.13,0.45049102259114987,0.30377750909373946,0.23176003760469333,0.18763325675181378,0.15693067771890015,0.13444954112324006,0.11694487417225609,0.10291918539957168,0.09147366437962691,0.08190262165321388,4.32,4.999508977408851,5.146222490906261,5.218239962395308,5.2623667432481875,5.2930693222811005,5.315550458876761,5.3330551258277445,5.347080814600429,5.358526335620374,5.3680973783467865,third
+275,9.19,100,3.717245659248712e+17,3.8,1.33500106673234,169.5,Unknown,Base,1,0.0375941865427863,0.030386460454820834,3.16,3.005745033544719,2.9038687053053382,2.8332853953029793,2.7837335295391603,2.747800520981714,2.7212857194959454,2.7018915480048644,2.687511614991107,2.6766338192289267,2.6684785071179546,0.39,0.3128725167723594,0.2619343526526692,0.22664269765148956,0.20186676476958018,0.18390026049085684,0.17064285974797258,0.1609457740024321,0.1537558074955535,0.1483169096144634,0.1442392535589774,0.88,0.9571274832276406,1.008065647347331,1.0433573023485105,1.06813323523042,1.0860997395091432,1.0993571402520275,1.109054225997568,1.1162441925044466,1.1216830903855368,1.1257607464410229,third
+279,7.95,96,1.2192965475644869e+17,1.83,0.6043159668533296,141.0,Branched,Enzyme,0,0.1294943259482824,0.1055345258027915,7.99,7.203703011865597,6.494787000705511,5.855204031684513,5.278214432383079,4.758191124765416,4.289804557033868,3.8680227034125214,3.488111064147204,3.1456326655054863,2.8364480597766795,3.15,3.15,3.15,3.15,3.15,3.15,3.15,3.15,3.15,3.15,3.15,4.46,5.246296988134403,5.955212999294488,6.594795968315488,7.171785567616922,7.691808875234585,8.160195442966133,8.58197729658748,8.961888935852798,9.304367334494515,9.61355194022332,first
+274,13.23,98,9.19488554249142e+16,1.86,0.62057648772511,123.5,Linear,None,0,0.01907256427503554,0.01212323047505786,7.93,6.384995848080533,5.34284262876251,4.595300008005502,4.032893353410084,3.5900045591023946,3.236235221898845,2.947537965291422,2.705008142675316,2.4987480942055496,2.3217191662903933,3.29,3.29,3.29,3.29,3.29,3.29,3.29,3.29,3.29,3.29,3.29,0.81,1.5825020759597335,2.1035786856187446,2.4773499959972485,2.7585533232949575,2.979997720448802,3.156882389050577,3.3012310173542883,3.4224959286623418,3.525625952897225,3.614140416854803,second
+274,5.25,91,3.520718036605729e+16,1.63,0.4885800148186709,95.0,Ring,Enzyme,0,0.15776251014469345,0.10794905841922743,4.27,2.063123051175106,1.3575260363385842,1.012410083744556,0.8072738204925305,0.6707367294120011,0.5739245545851703,0.5019260301103795,0.4454399856898641,0.40048408028052146,0.3637828001196729,1.12,1.12,1.12,1.12,1.12,1.12,1.12,1.12,1.12,1.12,1.12,3.48,4.583438474412447,4.9362369818307075,5.108794958127722,5.211363089753735,5.279631635294,5.328037722707415,5.364036984944811,5.392280007155068,5.41475795985974,5.433108599940164,second
+276,3.94,92,5.041531344132626e+16,3.03,1.1085626195212777,181.8,Branched,None,1,0.1951582649077546,0.11337154994450298,6.94,2.666849346223806,2.1134946002230355,1.9824275785822307,1.9480483140721825,1.9381344623305603,1.9355303740572851,1.9350826312822949,1.9345314802785532,1.9344403253747404,1.9351989122888773,1.22,1.22,1.22,1.22,1.22,1.22,1.22,1.22,1.22,1.22,1.22,3.94,6.076575326888098,6.353252699888483,6.418786210708885,6.4359758429639085,6.44093276883472,6.442234812971359,6.442458684358853,6.442734259860724,6.442779837312631,6.442400543855562,second
+275,11.36,93,3.372321926561007e+17,4.11,1.4134230285081433,114.1,Ring,Enzyme,0,0.7285938403621185,0.6472666038924787,1.36,0.7771249277103052,0.19424985542061046,-0.38862521686908447,-0.9715002891587793,-1.554375361448474,-2.1372504337381693,-2.7201255060278644,-3.303000578317559,-3.8858756506072534,-4.468750722896949,2.36,2.36,2.36,2.36,2.36,2.36,2.36,2.36,2.36,2.36,2.36,0.83,1.4128750722896948,1.9957501445793895,2.578625216869084,3.161500289158779,3.744375361448474,4.327250433738169,4.910125506027864,5.4930005783175595,6.075875650607253,6.658750722896949,zero
+277,13.57,93,2.4937804921246483e+17,4.84,1.5769147207285403,177.7,Ring,Base,1,0.7227082644714588,0.6210291621109041,2.77,2.533012078883751,2.53229820184775,2.532220654444789,2.532258324709883,2.532079128850585,2.532075706366153,2.532192924139328,2.532393509079862,2.5319571345900074,2.5327025567817563,0.36,0.24150603944187543,0.24114910092387495,0.24111032722239456,0.24112916235494153,0.24103956442529223,0.24103785318307633,0.2410964620696639,0.24119675453993097,0.2409785672950037,0.24135127839087786,1.68,1.7984939605581245,1.798850899076125,1.7988896727776054,1.7988708376450584,1.7989604355747075,1.7989621468169235,1.798903537930336,1.7988032454600689,1.7990214327049963,1.7986487216091218,third
+277,4.91,92,7.663730049456406e+16,3.05,1.1151415906193203,53.8,Branched,Acid,0,0.3428660740742315,0.20710887542087858,5.17,3.9297077277320094,2.987034842861688,2.2684757532805913,1.7238694976873483,1.3125388874751422,0.9982899480544881,0.758220906051777,0.5765847698135517,0.4389069456324691,0.33363155372889286,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,1.23,3.3,3.3,3.3,3.3,3.3,3.3,3.3,3.3,3.3,3.3,3.3,first
+275,11.35,92,2.4704546107052576e+17,2.54,0.9321640810304452,25.7,Ring,Enzyme,0,0.8265789740938952,0.6747742327327079,1.64,0.9787368207248837,0.3174736414497672,-0.34378953782534927,-1.0050527171004664,-1.6663158963755824,-2.3275790756507,-2.9888422549258142,-3.6501054342009307,-4.311368613476047,-4.972631792751164,0.7,0.7,0.7,0.7,0.7,0.7,0.7,0.7,0.7,0.7,0.7,0.02,0.6812631792751163,1.3425263585502327,2.003789537825349,2.6650527171004663,3.3263158963755823,3.9875790756506997,4.648842254925814,5.31010543420093,5.971368613476047,6.632631792751163,zero
+277,6.69,93,3.925970368510913e+17,3.1,1.1314021114911006,177.1,Ring,Enzyme,1,1.137763022989866,0.835342194562251,6.07,1.9983409871601634,1.999468790062146,1.9972758025858621,1.9969770518915682,1.9993309447772722,1.9972558352459533,1.9981064550691727,1.9997074132699224,1.9964905526358483,1.9988465231341606,3.41,3.41,3.41,3.41,3.41,3.41,3.41,3.41,3.41,3.41,3.41,3.4,5.4358295064199185,5.435265604968927,5.436362098707068,5.436511474054215,5.435334527611363,5.436372082377021,5.435946772465412,5.4351462933650385,5.436754723682075,5.435576738432919,second
+278,11.03,99,3.9217373007932224e+17,2.26,0.8153648132841944,149.0,Ring,None,0,0.09800815244828759,0.07528745998290229,1.84,1.3959058560691242,1.1616505474014667,1.0063976571077933,0.8954668577329142,0.811672495068561,0.7461089908874965,0.6921283119860697,0.6468725839725067,0.6084258003880233,0.5752043963495563,1.23,1.0079529280345618,0.8908252737007332,0.8131988285538965,0.7577334288664569,0.7158362475342803,0.6830544954437481,0.6560641559930346,0.6334362919862531,0.6142129001940114,0.5976021981747779,3.81,4.032047071965438,4.149174726299266,4.226801171446104,4.282266571133543,4.3241637524657195,4.3569455045562515,4.383935844006965,4.4065637080137465,4.425787099805988,4.442397801825222,third
+272,1.29,98,2.252279280921465e+17,2.1,0.7419373447293773,21.3,Unknown,Base,0,0.03404936305656296,0.025711037580173946,1.39,1.2921491684893978,1.2071728461336937,1.1326227430714784,1.0665792839865473,1.0078850039337597,0.9555243687884702,0.9085649777513701,0.8661575633484864,0.8275359914311832,0.7920172611761602,0.26,0.26,0.26,0.26,0.26,0.26,0.26,0.26,0.26,0.26,0.26,2.78,2.828925415755301,2.8714135769331532,2.9086886284642612,2.9417103580067265,2.97105749803312,2.997237815605765,3.020717511124315,3.041921218325757,3.061232004284409,3.07899136941192,second
+274,5.16,97,1.3772169586361613e+17,4.87,1.5830939370944985,179.1,Branched,Base,0,0.04431077837335102,0.02558840904879218,4.21,4.063375463013809,3.9218575291611435,3.7852683247890546,3.6534355856580825,3.526194147678855,3.4033847079880903,3.28485301127403,3.1704498497764413,3.0600310632866137,2.9534575391473634,3.43,3.43,3.43,3.43,3.43,3.43,3.43,3.43,3.43,3.43,3.43,4.24,4.24,4.24,4.24,4.24,4.24,4.24,4.24,4.24,4.24,4.24,first
+279,12.64,98,1.2774803764758317e+17,4.87,1.5830939370944985,32.4,Ring,Acid,0,0.057284911339736476,0.0426238130336822,9.42,5.069132067007896,3.463044063265109,2.633005351706222,2.1205770687654457,1.7783285228351158,1.5286139672329513,1.3414170999281143,1.1960572557298843,1.0779696748158805,0.9810442507428362,1.51,1.51,1.51,1.51,1.51,1.51,1.51,1.51,1.51,1.51,1.51,3.2,5.375433966496052,6.178477968367446,6.59349732414689,6.849711465617278,7.020835738582443,7.145693016383525,7.239291450035944,7.3119713721350585,7.371015162592061,7.4194778746285825,second
+278,9.8,98,1.681523810034582e+17,1.38,0.3220834991691132,73.5,Unknown,Base,0,0.06477208832248968,0.051633939681640074,1.14,1.088182329342008,1.0363646586840163,0.9845469880260246,0.9327293173680328,0.8809116467100411,0.8290939760520493,0.7772763053940575,0.7254586347360659,0.6736409640780738,0.6218232934200822,0.8,0.8,0.8,0.8,0.8,0.8,0.8,0.8,0.8,0.8,0.8,1.67,1.7218176706579917,1.7736353413159835,1.8254530119739754,1.877270682631967,1.9290883532899588,1.9809060239479506,2.0327236946059424,2.084541365263934,2.136359035921926,2.1881767065799176,zero
+271,2.12,100,3.2268804380231526e+17,2.1,0.7419373447293773,46.3,Branched,Enzyme,0,0.017112435146021406,0.014115493355373586,6.21,6.1209747001064,6.04023388511774,5.9668088285032335,5.8999079572893,5.838892945878838,5.783175056600161,5.732214753704,5.685521703363503,5.642654773674239,5.60322203465419,1.1,1.0109747001064002,0.9302338851177396,0.8568088285032335,0.7899079572893001,0.7288929458788382,0.6731750566001611,0.6222147537039999,0.5755217033635034,0.5326547736742386,0.4932220346541905,0.61,0.6990252998935998,0.7797661148822603,0.8531911714967665,0.9200920427106999,0.9811070541211617,1.0368249433998389,1.087785246296,1.1344782966364966,1.1773452263257613,1.2167779653458095,second
+278,13.91,92,2.7748713011281584e+17,3.39,1.220829921392359,143.1,Branched,Acid,0,1.4332923132619573,1.1857475539013462,8.35,0.38158294997825726,0.27012051551043703,0.22053801656726446,0.19091706497728583,0.1708490281187734,0.15596640836789297,0.14432431340299898,0.13504776590644654,0.12739216093296035,0.12083348228880804,1.81,1.81,1.81,1.81,1.81,1.81,1.81,1.81,1.81,1.81,1.81,2.6,5.256139016673915,5.293293161496521,5.309820661144245,5.319694311674239,5.326383657293742,5.331344530544036,5.335225228865667,5.338317411364518,5.340869279689014,5.343055505903731,third
+280,13.12,93,2.3472808760881446e+17,2.97,1.0885619528146082,70.8,Ring,Base,1,1.0485179706530965,0.7295649395053334,6.88,1.9402748359045738,1.939303856679652,1.9399751925566866,1.9409606867019873,1.9392664942322346,1.9392985041527866,1.9377645140630033,1.9367465239856931,1.9376692019329247,1.9389703757568835,3.4,3.4,3.4,3.4,3.4,3.4,3.4,3.4,3.4,3.4,3.4,2.93,5.399862582047713,5.400348071660174,5.400012403721656,5.399519656649007,5.400366752883883,5.400350747923607,5.4011177429684984,5.401626738007153,5.4011653990335375,5.400514812121558,second
+273,9.56,97,4.906991656435777e+17,1.56,0.44468582126144574,82.3,Ring,Enzyme,1,0.13507788972253035,0.09786829087510146,3.87,2.5649816646998898,2.182675571422781,2.047729546373379,1.9957421423112254,1.9752704229783693,1.967813549236287,1.9641555550897043,1.963097036722542,1.9628008732468851,1.9624206287777788,0.74,0.74,0.74,0.74,0.74,0.74,0.74,0.74,0.74,0.74,0.74,4.36,5.012509167650055,5.2036622142886095,5.271135226813311,5.297128928844388,5.3073647885108155,5.311093225381857,5.312922222455148,5.3134514816387295,5.313599563376557,5.31378968561111,second
+275,4.8,91,3.680187088045573e+17,2.09,0.7371640659767196,59.1,Branched,Acid,0,1.9069020153153275,1.5080220407252825,4.15,2.6244783877477387,1.0989567754954765,-0.426564836756786,-1.9520864490090477,-3.4776080612613085,-5.003129673513573,-6.528651285765836,-8.054172898018098,-9.579694510270361,-11.105216122522625,1.9,1.9,1.9,1.9,1.9,1.9,1.9,1.9,1.9,1.9,1.9,3.42,4.945521612252262,6.471043224504524,7.996564836756787,9.522086449009048,11.04760806126131,12.573129673513574,14.098651285765836,15.624172898018099,17.14969451027036,18.675216122522627,zero
+275,10.99,99,2.21192159048216e+17,1.83,0.6043159668533296,103.3,Branched,None,0,0.03464337242002987,0.023407153773508653,2.68,2.6067444251218412,2.5354912324796133,2.466185682740827,2.39877442526051,2.3332057826640407,2.269429495449207,2.2073965844315033,2.1470593507441276,2.0883713758379856,2.0312875214816875,3.92,3.92,3.92,3.92,3.92,3.92,3.92,3.92,3.92,3.92,3.92,2.89,2.963255574878159,3.034508767520387,3.1038143172591734,3.1712255747394904,3.2367942173359596,3.300570504550793,3.362603415568497,3.4229406492558727,3.4816286241620147,3.538712478518313,first
+275,11.95,99,3.884516249087954e+17,2.19,0.7839015438284094,110.9,Branched,Base,1,0.060839743898641996,0.03937452512493126,4.14,3.038565739046603,2.4621988312010603,2.1142607730703658,1.8902936475661503,1.741393769893626,1.6387955805731382,1.5655007729055237,1.5139375062311409,1.4769243802415337,1.4494499946807666,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,0.6,1.53,2.0807171304766987,2.3689005843994697,2.542869613464817,2.6548531762169247,2.729303115053187,2.7806022097134306,2.817249613547238,2.843031246884429,2.861537809879233,2.8752750026596163,second
+276,7.25,91,3.824810776459725e+17,4.31,1.4609379041156563,132.4,Linear,Acid,1,2.289271008673265,1.4106227959602764,6.68,1.3309124750752226,1.331380847189009,1.332660121318985,1.3301977252013393,1.3304150936042118,1.3320109276967302,1.3312747707377526,1.3302202608156068,1.330748869856043,1.3318053180510694,0.88,0.88,0.88,0.88,0.88,0.88,0.88,0.88,0.88,0.88,0.88,0.2,2.8745437624623884,2.874309576405495,2.873669939340507,2.8749011373993296,2.8747924531978932,2.8739945361516335,2.874362614631122,2.874889869592195,2.874625565071977,2.8740973409744637,second
+275,10.12,93,2.043099001612247e+17,3.28,1.1878434223960523,25.9,Branched,Enzyme,0,0.4414137737267261,0.3461422780040357,6.19,1.1554671057502413,0.6369352845022932,0.4398571022229663,0.3361705029854877,0.2715920698530126,0.22825907556220554,0.19652138149674314,0.17263265995120974,0.1540721869504149,0.13897449172783458,1.96,1.96,1.96,1.96,1.96,1.96,1.96,1.96,1.96,1.96,1.96,0.84,3.3572664471248794,3.6165323577488535,3.715071448888517,3.7669147485072565,3.799203965073494,3.820870462218897,3.8367393092516284,3.8486836700243954,3.857963906524793,3.8655127541360828,second
+280,11.34,96,2.1826625317038228e+16,4.29,1.4562867329399256,146.4,Unknown,Acid,1,0.026873259177951775,0.021899328136611263,2.29,2.0574490640724834,1.8871588118534113,1.7566909574524598,1.6540938694583678,1.5706111962092848,1.501219242953128,1.443237481356837,1.3943110921623871,1.3524642290956006,1.3161571740907354,1.25,1.1337245320362417,1.0485794059267055,0.9833454787262299,0.9320469347291839,0.8903055981046424,0.8556096214765639,0.8266187406784185,0.8021555460811935,0.7812321145478003,0.7630785870453677,0.17,0.28627546796375825,0.3714205940732945,0.43665452127377014,0.48795306527081617,0.5296944018953577,0.5643903785234361,0.5933812593215816,0.6178444539188065,0.6387678854521998,0.6569214129546322,third
+280,11.2,98,5.05932340079347e+16,4.4,1.4816045409242156,83.2,Unknown,Acid,0,0.026382025856482957,0.01667515971789134,8.36,6.180336058729916,4.904105294414621,4.065636130055097,3.4708046618368433,3.027216322172771,2.687226268104169,2.414257867667555,2.1908887013225886,2.0057153793240277,1.8493614616990115,1.08,1.08,1.08,1.08,1.08,1.08,1.08,1.08,1.08,1.08,1.08,1.89,2.979831970635042,3.6179473527926898,4.037181934972452,4.334597669081578,4.556391838913615,4.726386865947916,4.862871066166222,4.974555649338705,5.067142310337985,5.145319269150494,second
+274,11.55,91,3.966531796572852e+17,1.79,0.5822156198526637,165.4,Linear,Enzyme,0,1.7773931518792372,1.207363514259862,2.96,0.7142193843806319,0.17262451400515708,0.04168807722281399,0.010072737513377098,0.002434688162362272,0.0005876200789581369,0.0001424355713421625,3.45927583200419e-05,8.547614527671342e-06,2.1019496294508397e-06,0.13,0.13,0.13,0.13,0.13,0.13,0.13,0.13,0.13,0.13,0.13,2.18,4.4257806156193675,4.967375485994842,5.098311922777185,5.129927262486622,5.137565311837638,5.139412379921041,5.139857564428658,5.1399654072416805,5.139991452385472,5.139997898050371,first
+277,8.95,92,4.134340143162835e+17,1.66,0.5068176023684519,76.1,Branched,Enzyme,1,1.849654103975496,1.434194935015763,3.0,1.5821180716336314,1.5827441748615036,1.5816715282924352,1.5812162686037592,1.5819502016005014,1.5834407919293485,1.58400837863323,1.5831076714102217,1.5815607540395455,1.5827235458564441,4.56,4.56,4.56,4.56,4.56,4.56,4.56,4.56,4.56,4.56,4.56,2.52,3.2289409641831845,3.2286279125692485,3.229164235853782,3.2293918656981204,3.2290248991997488,3.228279604035326,3.2279958106833853,3.2284461642948896,3.2292196229802275,3.2286382270717784,second
+277,1.78,94,3.552494090256769e+17,0.78,-0.2484613592984996,152.7,Ring,Base,0,0.6668968154856684,0.5399217366088003,1.69,0.9910270292782202,0.5812624376806713,0.34107063188762293,0.20010799520332967,0.11752240364278863,0.06889631154323533,0.04048884462347571,0.023725467495176983,0.013944358215234017,0.008179169412073056,3.32,3.32,3.32,3.32,3.32,3.32,3.32,3.32,3.32,3.32,3.32,2.6,3.2989729707217803,3.708737562319329,3.9489293681123776,4.089892004796671,4.172477596357212,4.221103688456766,4.249511155376526,4.266274532504824,4.276055641784767,4.281820830587928,first
+273,12.14,99,2.0400213793754224e+17,4.7,1.547562508716013,74.6,Linear,None,0,0.023265826770143966,0.02040846925922562,7.74,2.793927210802608,2.0441945591795347,1.6884724348936075,1.47229532768413,1.320651912136924,1.2090426031449708,1.1216775629619091,1.050278610423714,0.9910726719796279,0.9408564462614991,0.64,0.64,0.64,0.64,0.64,0.64,0.64,0.64,0.64,0.64,0.64,0.97,2.6186909297324648,2.8686018136068223,2.9871758550354652,3.0592348907719575,3.1097826959543595,3.146985798951677,3.176107479012698,3.199907129858763,3.2196424426734582,3.236381184579501,third
+276,8.69,90,4.843690309053189e+17,2.89,1.0612565021243408,134.2,Unknown,Enzyme,0,4.482562972538266,3.7034700813328683,7.01,0.19474481370319785,0.005422864681560302,0.00015046857621039527,4.404091102619879e-06,8.130453166791268e-08,1.1771454478353457e-07,5.6522545495514274e-08,2.984351885385527e-07,7.168451431908842e-07,5.309686453465731e-07,2.34,2.34,2.34,2.34,2.34,2.34,2.34,2.34,2.34,2.34,2.34,3.33,3.33,3.33,3.33,3.33,3.33,3.33,3.33,3.33,3.33,3.33,first
+278,13.42,100,1.337759749312809e+17,2.71,0.9969486348916096,137.0,Unknown,Base,0,0.02169005501016723,0.015772020019508164,7.19,5.754281683627882,4.795806098214558,4.112486937785919,3.6019032497239643,3.200830089992143,2.8812603760416162,2.621373981827301,2.403674936965326,2.218604691100861,2.060000748511671,3.76,3.76,3.76,3.76,3.76,3.76,3.76,3.76,3.76,3.76,3.76,0.99,1.7078591581860592,2.187096950892721,2.5287565311070406,2.784048375138018,2.9845849550039283,3.1443698119791916,3.2743130090863493,3.383162531517337,3.4756976544495695,3.5549996257441645,second
+278,9.88,97,1.2473121289228042e+17,3.63,1.2892326482767593,88.7,Ring,Enzyme,1,0.07405616159293228,0.055204205693702546,8.26,4.401914730501054,3.2087964019704414,2.688510717916908,2.4282214968719416,2.286453523479879,2.2094434597108252,2.1641333627807584,2.139274355907031,2.124690073352259,2.1159699529989426,3.63,3.63,3.63,3.63,3.63,3.63,3.63,3.63,3.63,3.63,3.63,2.86,4.789042634749472,5.385601799014779,5.645744641041546,5.7758892515640285,5.84677323826006,5.885278270144587,5.90793331860962,5.920362822046485,5.92765496332387,5.9320150235005285,second
+270,8.82,92,4.184853246054976e+17,0.96,-0.040821994520255166,119.7,Ring,Base,0,0.6646109243812243,0.38111356731810214,1.52,0.8929315227306106,0.5247546440084634,0.3084003635658573,0.18133732720754536,0.10665889591067768,0.06266104999135706,0.03688378881428013,0.021655670566059618,0.012751381669524211,0.007492977965606349,3.25,3.25,3.25,3.25,3.25,3.25,3.25,3.25,3.25,3.25,3.25,4.41,5.03706847726939,5.405245355991537,5.621599636434143,5.748662672792455,5.823341104089322,5.867338950008643,5.89311621118572,5.90834432943394,5.9172486183304756,5.922507022034393,first
+270,6.96,94,4.864472753986304e+16,2.0,0.6931471805599453,112.0,Branched,Enzyme,0,0.0316946371496747,0.023254491654441586,7.49,7.302473214990171,7.119641533152328,6.9413874022489255,6.767596069036845,6.598155859598367,6.432958045467152,6.271896449814995,6.1148674465580495,5.961769960356834,5.812505466616226,4.31,4.31,4.31,4.31,4.31,4.31,4.31,4.31,4.31,4.31,4.31,0.47,0.47,0.47,0.47,0.47,0.47,0.47,0.47,0.47,0.47,0.47,first
+277,10.98,98,4.7260561230641875e+17,3.57,1.2725655957915476,143.4,Unknown,Acid,0,0.1562090103443089,0.13600530242470127,9.88,8.719351280213889,7.695056804724176,6.790260196236936,5.990362137621394,5.284716804664268,4.663251624002233,4.11637073482858,3.634954988893219,3.21036195050267,2.834425896520078,1.77,1.77,1.77,1.77,1.77,1.77,1.77,1.77,1.77,1.77,1.77,4.45,4.45,4.45,4.45,4.45,4.45,4.45,4.45,4.45,4.45,4.45,first
+273,1.74,97,3.838128233372808e+16,0.87,-0.13926206733350766,52.8,Ring,Base,0,0.010565460439870382,0.008228622517163315,4.1,4.065491335168016,4.031273121062528,3.997342913042525,3.9636982869027446,3.930336838809828,3.897256185773426,3.864453964544882,3.83192783151131,3.7996754626955953,3.7676945537563946,3.52,3.52,3.52,3.52,3.52,3.52,3.52,3.52,3.52,3.52,3.52,3.13,3.1645086648319842,3.198726878937472,3.232657086957475,3.2663017130972554,3.299663161190172,3.332743814226574,3.365546035455118,3.39807216848869,3.4303245373044047,3.4623054462436054,first
+270,5.82,95,4.957216396559966e+17,2.11,0.7466879474879751,166.6,Ring,Acid,0,0.20688036298308513,0.18362628116309593,6.66,2.082303975185016,1.2354060291498348,0.8774749799089592,0.6803406059785476,0.5560983428514732,0.4696548711792911,0.4066317642470956,0.35887385754143597,0.32078159070532697,0.28999216339088313,0.02,0.02,0.02,0.02,0.02,0.02,0.02,0.02,0.02,0.02,0.02,2.22,4.508848012407492,4.932296985425083,5.1112625100455205,5.2098296970107265,5.271950828574264,5.3151725644103545,5.346684117876452,5.370563071229282,5.3896092046473365,5.405003918304558,second
+270,11.98,94,4.334301704279645e+17,3.02,1.1052568313867783,22.4,Linear,None,1,0.28240289700828447,0.2521954879513828,5.22,2.0603928330802863,2.0064252188222285,2.0039123583371103,2.004004879814755,2.004612482631575,2.0036566115173655,2.00361659346065,2.0031178270584156,2.001916682239744,2.0044291485979575,2.7,1.1201964165401435,1.0932126094111145,1.0919561791685555,1.0920024399073778,1.0923062413157878,1.091828305758683,1.0918082967303253,1.091558913529208,1.0909583411198722,1.092214574298979,3.3,4.879803583459857,4.906787390588885,4.908043820831445,4.907997560092622,4.9076937586842115,4.908171694241317,4.908191703269674,4.908441086470792,4.9090416588801284,4.907785425701022,third
+273,3.83,96,3.209415799526246e+17,4.45,1.4929040961781488,169.1,Linear,Acid,1,0.13725795436829746,0.0919289834749794,6.41,5.862312457509806,5.406311257371581,5.025931767164272,4.709513029352454,4.447002944176193,4.22911062872072,4.0473136435575725,3.8954056321564177,3.7689815181163473,3.6637505321057002,2.59,2.59,2.59,2.59,2.59,2.59,2.59,2.59,2.59,2.59,2.59,1.42,1.9676875424901938,2.42368874262842,2.8040682328357285,3.120486970647547,3.3829970558238074,3.6008893712792798,3.7826863564424276,3.9345943678435824,4.061018481883653,4.1662494678943,first
+279,9.76,93,4.591485129848688e+17,4.42,1.4861396960896067,114.0,Unknown,Enzyme,1,1.777369235904633,1.1484905171955853,4.68,2.227950199247112,2.2270914269427826,2.2278378290292027,2.2281117069059193,2.2277696347217666,2.2267030299683968,2.226329202213113,2.2257742675645207,2.2252204428979256,2.226743899574609,4.44,1.987950199247113,1.9870914269427837,1.987837829029204,1.9881117069059207,1.9877696347217682,1.986703029968398,1.986329202213115,1.985774267564523,1.9852204428979274,1.986743899574611,4.39,6.842049800752888,6.842908573057217,6.842162170970798,6.8418882930940805,6.842230365278233,6.843296970031604,6.843670797786887,6.844225732435479,6.8447795571020755,6.843256100425392,second
+271,5.41,91,1.8904534856930166e+17,4.47,1.4973884086254774,166.2,Linear,Enzyme,1,0.5443614125495866,0.3902602287693334,7.82,5.509100754965752,5.427268448888507,5.4237058149323225,5.423578011460719,5.423364998465297,5.42298513639848,5.422988218990435,5.422710752046528,5.422664279802118,5.424186237141391,3.27,0.959100754965752,0.8772684488885059,0.8737058149323217,0.8735780114607177,0.8733649984652965,0.8729851363984781,0.8729882189904339,0.8727107520465268,0.8726642798021161,0.8741862371413895,4.21,6.520899245034248,6.602731551111494,6.606294185067678,6.606421988539282,6.606635001534703,6.6070148636015205,6.607011781009565,6.607289247953473,6.607335720197883,6.6058137628586096,second
+280,4.59,99,1.6963978417761923e+17,3.66,1.297463147413275,179.2,Linear,Enzyme,1,0.0575684303580674,0.03854673704146333,5.99,4.903608151760669,4.660604969687854,4.585702727174113,4.560691512564244,4.552125710661733,4.549096203114817,4.548062904856713,4.547729911020117,4.547597781110112,4.547546700021716,0.81,0.2668040758803346,0.145302484843927,0.10785136358705705,0.09534575628212195,0.0910628553308668,0.08954810155740887,0.08903145242835689,0.0888649555100587,0.08879889055505662,0.08877335001085808,2.02,2.5631959241196656,2.6846975151560732,2.7221486364129435,2.7346542437178782,2.7389371446691335,2.7404518984425916,2.7409685475716437,2.741135044489942,2.741201109444944,2.7412266499891422,third
+276,11.33,95,4.7303289456409024e+17,1.95,0.6678293725756554,121.2,Branched,Base,0,0.49536747355238714,0.35411967632438496,2.34,0.6261619345708793,0.45071975165719225,0.37044504787884164,0.3218669764951051,0.2884155697195155,0.26351830814779525,0.24434978593364912,0.22872943536003879,0.21570662843363198,0.20468212361724575,3.96,3.96,3.96,3.96,3.96,3.96,3.96,3.96,3.96,3.96,3.96,2.8,3.3712793551430402,3.429760082780936,3.4565183173737193,3.472711007834965,3.4838614767601617,3.492160563950735,3.4985500713554503,3.5037568548799873,3.508097790522123,3.5117726254609183,third
+279,2.25,91,2.935109961177099e+17,1.12,0.11332868530700327,151.9,Unknown,Acid,1,2.6909414015244377,1.8775495280216068,7.01,4.837524759750984,4.780947150286927,4.780661524707219,4.782200811466,4.782722597044732,4.781729857300988,4.781895501277312,4.78514399942891,4.77978084631503,4.78017370117795,1.56,1.56,1.56,1.56,1.56,1.56,1.56,1.56,1.56,1.56,1.56,4.62,6.792475240249015,6.849052849713072,6.84933847529278,6.847799188533999,6.847277402955267,6.848270142699011,6.848104498722687,6.844856000571089,6.850219153684969,6.849826298822049,first
+278,7.66,95,1.3628962040335309e+17,1.86,0.62057648772511,170.0,Ring,Base,1,0.19224328734341425,0.16291212560946938,5.37,1.3963853803098967,1.1511689817048945,1.0984111414900999,1.0856828874970634,1.0822672486992462,1.0813171558499455,1.0813443649854466,1.0809174125001006,1.081025811009117,1.0815249004118763,3.75,1.763192690154948,1.640584490852447,1.6142055707450496,1.607841443748531,1.6061336243496225,1.605658577924972,1.6056721824927225,1.6054587062500496,1.6055129055045576,1.6057624502059373,0.07,2.0568073098450514,2.1794155091475527,2.20579442925495,2.212158556251468,2.213866375650377,2.2143414220750275,2.214327817507277,2.21454129374995,2.214487094495442,2.214237549794062,third
+280,13.6,99,4.2348812894468435e+17,3.84,1.3454723665996355,76.0,Unknown,None,0,0.1437136163359771,0.10857567435764091,1.06,1.0497218432288955,1.0406958565102493,1.0327445412335874,1.025721418392817,1.0195251498689866,1.014061047240169,1.0092398850057342,1.0049779005863506,1.0011967943239832,0.9978237294818953,0.09,0.07972184322889549,0.07069585651024934,0.06274454123358736,0.055721418392816885,0.0495251498689865,0.04406104724016885,0.03923988500573422,0.03497790058635048,0.031196794323983118,0.027823729481895244,3.0,3.0102781567711046,3.0193041434897503,3.027255458766412,3.034278581607183,3.0404748501310133,3.045938952759831,3.0507601149942656,3.0550220994136494,3.058803205676017,3.0621762705181044,second
+279,8.18,98,4.309599031473055e+17,3.72,1.3137236682850553,156.2,Linear,Base,1,0.19325149957199259,0.10300066972431983,7.38,6.714090492097684,6.188747459473942,5.772882847242558,5.444627788390066,5.187665686768752,4.986447762948531,4.82642447783466,4.69926441518692,4.599091894316115,4.520103771119824,0.66,0.66,0.66,0.66,0.66,0.66,0.66,0.66,0.66,0.66,0.66,4.77,5.4359095079023145,5.961252540526058,6.3771171527574415,6.705372211609934,6.962334313231247,7.163552237051468,7.323575522165339,7.45073558481308,7.5509081056838845,7.629896228880176,first
+278,12.84,94,1.7868156230536477e+17,4.79,1.5665304114228238,95.3,Unknown,Enzyme,1,0.38848058416617404,0.24575604691485226,1.9,2.0879163395933107,2.2003551550555605,2.268886595256299,2.30952907021383,2.333731435351965,2.3491432296489108,2.357801834751965,2.362824345857566,2.3662443090416514,2.3682835577790677,0.43,0.43,0.43,0.43,0.43,0.43,0.43,0.43,0.43,0.43,0.43,4.22,4.032083660406689,3.919644844944439,3.8511134047437006,3.81047092978617,3.7862685646480347,3.770856770351089,3.7621981652480345,3.7571756541424337,3.7537556909583483,3.751716442220932,first
+280,4.54,99,4.645681273012918e+17,3.7,1.308332819650179,102.9,Branched,Acid,1,0.15765439700819092,0.13521084208971568,1.3,0.752061448810203,0.6722803527289353,0.6562094585599927,0.6528496853356953,0.6522097332833009,0.6518097155513152,0.6520401380596226,0.6514539130178922,0.6520492994932638,0.6521847292815048,4.49,4.216030724405101,4.176140176364467,4.168104729279996,4.166424842667848,4.166104866641651,4.165904857775658,4.166020069029812,4.165726956508946,4.166024649746633,4.166092364640753,1.74,2.013969275594899,2.0538598236355328,2.061895270720004,2.0635751573321524,2.0638951333583497,2.0640951422243425,2.0639799309701887,2.064273043491054,2.063975350253368,2.0639076353592474,third
+279,4.02,96,4.887597082307528e+16,0.78,-0.2484613592984996,71.8,Branched,Base,0,0.05190829834993287,0.03025541574952784,1.2,0.9924764680651643,0.8271990546470076,0.6933572816583106,0.5842462879285842,0.49493410394757886,0.42103115985030953,0.3587678591045548,0.30623479999878417,0.26193794320363684,0.2244294224934799,4.68,4.472476468065164,4.307199054647008,4.173357281658311,4.064246287928585,3.974934103947579,3.9010311598503096,3.838767859104555,3.786234799998784,3.741937943203637,3.70442942249348,2.29,2.4975235319348355,2.6628009453529926,2.7966427183416895,2.905753712071416,2.995065896052421,3.0689688401496906,3.131232140895445,3.1837652000012158,3.2280620567963627,3.26557057750652,second
+278,2.77,97,2.2184841711525645e+17,1.78,0.5766133643039938,22.0,Unknown,Enzyme,0,0.1317171688309661,0.1083081704264156,7.92,6.791320167090933,6.30419723565528,6.068107256234836,5.94710875655021,5.883634649460581,5.849742725486032,5.831465492900408,5.821637461116135,5.8163064621229,5.813420427068241,2.11,0.9813201670909324,0.4941972356552794,0.258107256234836,0.13710875655020896,0.07363464946058029,0.03974272548603156,0.02146549290040691,0.011637461116133325,0.006306462122899245,0.00342042706824032,0.31,1.4386798329090675,1.9258027643447206,2.161892743765164,2.282891243449791,2.3463653505394197,2.3802572745139687,2.398534507099593,2.4083625388838663,2.4136935378771005,2.41657957293176,second
+274,2.25,100,2.2821117184402432e+17,1.66,0.5068176023684519,112.2,Unknown,Acid,0,0.019674837113631972,0.012097533296569178,7.12,2.965475690467125,2.194350036695237,1.8200498318408203,1.588988607485313,1.428413964292821,1.3090046250305492,1.2140872157926494,1.1376493523928461,1.0746433531038766,1.020917734703486,4.32,4.32,4.32,4.32,4.32,4.32,4.32,4.32,4.32,4.32,4.32,2.25,3.6348414365109583,3.8918833211015875,4.016650056053059,4.093670464171562,4.147195345235726,4.186998458323151,4.2186375947357835,4.244116882535718,4.265118882298708,4.283027421765505,third
+270,7.55,99,2.5302958511252086e+17,2.46,0.9001613499442714,95.9,Ring,Base,0,0.01777371564241232,0.015290395013883119,5.43,2.904373600795708,2.217409563593341,1.861428601383446,1.6363115390522622,1.4763707181801036,1.3570805612377423,1.2616472384526471,1.1838132882554615,1.1190465584995624,1.0638153436875457,2.22,2.22,2.22,2.22,2.22,2.22,2.22,2.22,2.22,2.22,2.22,3.06,3.901875466401431,4.13086347880222,4.249523799538851,4.324562820315913,4.377876427273299,4.417639812920753,4.449450920515785,4.475395570581513,4.496984480500147,4.515394885437485,third
+270,9.11,100,3.98910354053354e+17,2.19,0.7839015438284094,31.9,Linear,Acid,0,0.01794789897562726,0.01556990529229761,7.06,6.959354545192777,6.860143865008407,6.762347505911547,6.665945302320605,6.570917375698357,6.477244145782264,6.384906303724611,6.293884809737325,6.204160893091973,6.115716052119765,2.37,2.37,2.37,2.37,2.37,2.37,2.37,2.37,2.37,2.37,2.37,1.53,1.53,1.53,1.53,1.53,1.53,1.53,1.53,1.53,1.53,1.53,first
+273,7.89,90,6.232949209824275e+16,4.57,1.5195132049061133,153.5,Unknown,Acid,1,0.37485270817461824,0.24672922686576157,6.34,1.613694167408403,1.611158603942934,1.612942602693296,1.6137509788637763,1.6150669664881516,1.6132179793725145,1.6134378695801743,1.612372534195096,1.6120045207642295,1.6134586895079968,1.55,1.55,1.55,1.55,1.55,1.55,1.55,1.55,1.55,1.55,1.55,4.8,6.375435277530533,6.376280465352355,6.375685799102235,6.375416340378741,6.374977677837283,6.3755940068758274,6.375520710139941,6.375875821934968,6.3759984930785905,6.375513770164002,third
+275,13.32,90,1.7686895060092035e+17,1.74,0.5538851132264376,75.3,Branched,Acid,1,1.4192571317949143,1.1512961105472856,5.25,1.3505256844135607,1.351242459422437,1.3517121753670969,1.3513066975982904,1.3503939143058756,1.3495143273783368,1.349206445412467,1.349721633969014,1.3508039524858948,1.3518853510238422,4.65,2.7002628422067803,2.7006212297112184,2.700856087683549,2.700653348799146,2.7001969571529387,2.6997571636891693,2.6996032227062345,2.699860816984508,2.700401976242949,2.7009426755119224,4.12,6.069737157793218,6.06937877028878,6.06914391231645,6.069346651200854,6.06980304284706,6.07024283631083,6.070396777293764,6.07013918301549,6.069598023757049,6.0690573244880754,third
+275,8.48,90,9.516078089369674e+16,0.71,-0.342490308946776,63.5,Linear,Base,0,0.7636027493332656,0.5656009027408508,9.11,4.945493634986152,2.683198225741493,1.4582442653679544,0.7918836882577955,0.42984818718383,0.2338084300191486,0.1268603550994682,0.0689281682622182,0.03747790586977785,0.020349576454393233,3.69,3.69,3.69,3.69,3.69,3.69,3.69,3.69,3.69,3.69,3.69,2.72,6.8845063650138485,9.146801774258508,10.371755734632046,11.038116311742204,11.400151812816171,11.596191569980851,11.703139644900531,11.761071831737782,11.792522094130222,11.809650423545607,first
+278,9.93,91,2.229179301206655e+17,2.88,1.0577902941478545,190.6,Branched,None,0,1.7747537519970955,1.2547638815451891,1.42,0.3336228183007322,0.23939652215693483,0.19628872803143818,0.17042031632727583,0.15262246084981085,0.13954814141900718,0.1292068878554766,0.1209070483826546,0.11408749745919357,0.10829202635423306,0.62,0.62,0.62,0.62,0.62,0.62,0.62,0.62,0.62,0.62,0.62,1.05,1.4121257272330896,1.4435344926143554,1.4579037573228544,1.4665265612242417,1.47245917971673,1.4768172861936646,1.4802643707148415,1.4830309838724487,1.4853041675136025,1.487235991215256,third
+276,7.17,98,2.0513155726321485e+17,1.35,0.30010459245033816,103.2,Unknown,Enzyme,0,0.05811393577441939,0.03869692174927979,3.32,3.1691823756462467,3.0252159699001018,2.887789129204158,2.7566027657662575,2.631375918893214,2.511839604699917,2.3977355485057275,2.2888161848344812,2.1848446574144873,2.085594819178528,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.62,4.770817624353754,4.914784030099899,5.052210870795842,5.183397234233743,5.308624081106785,5.428160395300083,5.5422644514942725,5.651183815165519,5.755155342585512,5.854405180821471,first
+280,8.09,94,2.232829269374892e+17,1.19,0.17395330712343798,193.4,Ring,Acid,1,0.6490935758282483,0.35302605149585387,2.96,2.285269682867769,2.188990154311046,2.1727949497652905,2.1699920424167196,2.1696003226075122,2.1695336058014827,2.169196885618031,2.169503129771082,2.1697326773207384,2.169556993806281,1.45,0.775269682867769,0.6789901543110461,0.6627949497652906,0.6599920424167199,0.6596003226075128,0.659533605801483,0.6591968856180311,0.6595031297710825,0.6597326773207387,0.6595569938062809,1.84,2.514730317132231,2.6110098456889537,2.6272050502347093,2.63000795758328,2.6303996773924876,2.630466394198517,2.630803114381969,2.6304968702289178,2.6302673226792614,2.630443006193719,second
+277,10.56,95,1.9712169913495475e+17,3.52,1.2584609896100056,33.0,Ring,Acid,0,0.2397067121911012,0.14109210428444333,6.18,0.9239428598407748,0.6568174996758389,0.5372106394584542,0.4660383393870287,0.4167329143927231,0.3807053396995719,0.35267596546403013,0.3298493753070068,0.31098038089698526,0.2950147411786822,2.66,2.66,2.66,2.66,2.66,2.66,2.66,2.66,2.66,2.66,2.66,1.66,3.4120190467197413,3.501060833441387,3.540929786847182,3.5646538868709903,3.5810890285357586,3.5930982201001425,3.6024413448453227,3.610050208230997,3.6163398730343377,3.621661752940439,third
+271,3.71,92,4.1778691542751475e+17,1.12,0.11332868530700327,141.2,Linear,Acid,0,0.7718296533571927,0.4003984442969354,6.12,3.3006716850297586,1.7793131029014149,0.9599554417020961,0.5184360322233077,0.27937988062280217,0.15089326876607848,0.0814466563755703,0.04390702902443458,0.023727047842944708,0.012798317372390443,2.06,2.06,2.06,2.06,2.06,2.06,2.06,2.06,2.06,2.06,2.06,0.93,3.749328314970241,5.270686897098585,6.090044558297904,6.531563967776692,6.770620119377197,6.899106731233921,6.968553343624429,7.006092970975565,7.026272952157055,7.037201682627609,first
+276,10.83,95,1.2870181291249106e+17,0.88,-0.12783337150988489,30.8,Branched,Acid,1,0.13477855903197594,0.08625409778233112,7.72,7.213192202790765,6.788538224455212,6.431899433760795,6.1323309358932265,5.8820931440454185,5.673764599010592,5.500213109377489,5.354595751530371,5.231272235160035,5.127831059782047,3.12,3.12,3.12,3.12,3.12,3.12,3.12,3.12,3.12,3.12,3.12,4.05,4.556807797209235,4.981461775544788,5.338100566239205,5.637669064106773,5.887906855954581,6.096235400989408,6.269786890622511,6.4154042484696285,6.538727764839964,6.642168940217952,first
+272,10.91,99,1.0740380030567498e+17,3.44,1.235471471385307,130.7,Unknown,None,0,0.010434228553419508,0.00589875586744207,2.75,2.3415212054414,2.07609445735946,1.8822014881137843,1.7353543151589172,1.6190841297327476,1.5221560011427426,1.440729174404444,1.3714682766617565,1.3115414769987364,1.2586835733870605,3.53,3.53,3.53,3.53,3.53,3.53,3.53,3.53,3.53,3.53,3.53,4.87,5.0061595981861995,5.0946351808801795,5.159266170628738,5.208215228280361,5.2469719567557505,5.2792813329524195,5.306423608531852,5.329510574446082,5.349486174333755,5.367105475537647,third
+273,11.13,96,4.292325047196456e+17,3.83,1.3428648031925547,180.3,Branched,Enzyme,1,0.1835710273343077,0.10460281105226807,6.0,1.380467521603796,1.291287655835572,1.282729552529804,1.2816307693152544,1.2809940755712483,1.2819178648434735,1.2811208544894512,1.2811677332237426,1.2828776234363648,1.281676957830178,1.27,1.27,1.27,1.27,1.27,1.27,1.27,1.27,1.27,1.27,1.27,2.12,3.659844159465401,3.689570781388142,3.6924234824900646,3.692789743561581,3.6930019748095826,3.6926940450521744,3.692959715170182,3.692944088925418,3.6923741255212104,3.692774347389939,third
+273,3.08,100,2.8587463546235744e+17,1.63,0.4885800148186709,93.1,Branched,None,0,0.020985378511728082,0.011942388306296282,6.5,2.8398806935257994,2.112118506653906,1.7546191026227331,1.534707807751987,1.3793562357415132,1.2646135288524067,1.1741318656415782,1.100185495642525,1.0387765984923458,0.9866027975252025,2.43,2.43,2.43,2.43,2.43,2.43,2.43,2.43,2.43,2.43,2.43,2.83,4.050039768824734,4.292627164448699,4.41179363245909,4.485097397416005,4.53688125475283,4.575128823715865,4.605289378119474,4.629938168119159,4.650407800502552,4.6677990674915995,third
+276,5.54,96,6.135667911236869e+16,1.87,0.6259384308664954,121.3,Branched,None,0,0.04155614114105621,0.025984259059583518,5.68,2.747347822661384,1.9828951623597895,1.596464738570221,1.3529449100964626,1.184823038837059,1.0579240682286837,0.959369662783202,0.880501497981002,0.8147491369950233,0.7591067883528578,3.8,2.333673911330692,1.951447581179895,1.7582323692851107,1.6364724550482315,1.5524115194185297,1.4889620341143421,1.439684831391601,1.4002507489905012,1.3673745684975118,1.3395533941764293,2.06,3.526326088669308,3.908552418820105,4.101767630714889,4.223527544951768,4.30758848058147,4.371037965885658,4.420315168608399,4.459749251009499,4.492625431502488,4.520446605823571,third
+275,7.79,95,2.4337953131223978e+17,4.96,1.601405740736836,69.6,Linear,None,0,0.21924944771071178,0.14166463196074128,5.13,1.8382162101334134,1.1186578993415848,0.8044388633508875,0.6282307982360095,0.5147573773267371,0.43647830753101813,0.3787818608936067,0.3342852238743966,0.299400524486663,0.27112749609867126,3.19,3.19,3.19,3.19,3.19,3.19,3.19,3.19,3.19,3.19,3.19,3.09,4.735891894933292,5.095671050329207,5.252780568324556,5.340884600881995,5.397621311336631,5.43676084623449,5.465609069553196,5.4878573880628005,5.505299737756667,5.519436251950664,second
+270,4.17,94,2.6605708334179725e+17,2.17,0.7747271675523681,186.5,Linear,Base,1,0.1733503946693658,0.11688578163499183,8.92,6.4461263413554875,5.7931797490432775,5.575145589619079,5.496692497306149,5.467973983066644,5.457468690329533,5.453134744881076,5.451956483859319,5.451242584968015,5.451025437625598,4.45,1.9761263413554886,1.3231797490432788,1.1051455896190814,1.0266924973061513,0.9979739830666462,0.987468690329535,0.9831347448810792,0.9819564838593213,0.9812425849680174,0.9810254376256015,4.46,6.933873658644512,7.586820250956722,7.804854410380921,7.883307502693851,7.912026016933356,7.922531309670467,7.926865255118924,7.928043516140681,7.928757415031985,7.9289745623744015,second
+278,5.81,91,4.309443452543562e+17,1.45,0.371563556432483,94.2,Branched,Acid,1,3.430949198335474,2.155148682094732,1.34,2.166136064416688,2.1757062586161786,2.1785321139703178,2.176251416948593,2.1754971060178248,2.177172264766257,2.1771156521099013,2.1728029984095367,2.176425910494321,2.1756403934908346,0.62,0.62,0.62,0.62,0.62,0.62,0.62,0.62,0.62,0.62,0.62,4.3,3.4738639355833123,3.4642937413838215,3.4614678860296824,3.463748583051407,3.4645028939821754,3.462827735233743,3.462884347890099,3.4671970015904634,3.4635740895056792,3.4643596065091655,first
+272,11.33,90,3.2701254248329216e+17,4.5,1.5040773967762742,58.6,Branched,Enzyme,1,1.6998851864213465,0.8870512919046262,9.03,1.3160158642510578,1.3159678289661103,1.3150277574282967,1.3165456947575356,1.3143714858471949,1.3171392615139952,1.314478313224371,1.31629055632247,1.315596756881373,1.3159222476388543,1.48,1.48,1.48,1.48,1.48,1.48,1.48,1.48,1.48,1.48,1.48,1.79,4.361328045249646,4.361344057011295,4.361657414190565,4.361151435080817,4.361876171384264,4.36095357949533,4.361840562258537,4.361236481225838,4.361467747706204,4.361359250787044,third
+278,9.85,93,3.9323630410132954e+17,3.66,1.297463147413275,82.4,Ring,Acid,1,1.3177843859465417,1.1434860494889003,2.19,1.5356284633648098,1.535704022945667,1.5355134091322022,1.5352688375250565,1.5350423971347504,1.5347409518495705,1.5344333307415827,1.5341663696780863,1.533863816676428,1.5341499831772896,2.94,2.94,2.94,2.94,2.94,2.94,2.94,2.94,2.94,2.94,2.94,3.94,4.158123845545063,4.158098659018112,4.158162196955934,4.158243720824983,4.158319200955085,4.158419682716812,4.158522223086141,4.158611210107308,4.158712061107862,4.158616672274241,third
+279,8.14,100,1.3037719779903632e+17,3.59,1.2781522025001875,160.9,Branched,Base,0,0.024684950606957336,0.01819675849610319,9.73,7.029248727981606,5.516647441314426,4.531761365314712,3.8455126204258048,3.3379054401920234,2.952634949399326,2.645710431156834,2.3952862860491164,2.1885438277797493,2.0146232250901965,4.84,4.84,4.84,4.84,4.84,4.84,4.84,4.84,4.84,4.84,4.84,4.72,6.070375636009198,6.826676279342787,7.319119317342643,7.662243689787097,7.916047279903988,8.108682525300337,8.262144784421583,8.387356856975442,8.490728086110126,8.577688387454902,second
+270,7.87,96,4.3182932931283576e+16,4.25,1.4469189829363254,121.2,Unknown,Enzyme,1,0.011543165192929477,0.008163331912852588,8.26,7.386151330998254,6.956739132511541,6.712184946880882,6.563520527626889,6.470378737967535,6.409847945084062,6.370547791293888,6.344246253562877,6.326870848113664,6.3152885267056895,1.08,0.643075665499127,0.4283695662557708,0.3060924734404414,0.23176026381344478,0.1851893689837681,0.15492397254203122,0.1352738956469448,0.122123126781439,0.11343542405683225,0.10764426335284479,4.37,4.806924334500874,5.02163043374423,5.143907526559559,5.218239736186556,5.264810631016232,5.295076027457969,5.314726104353055,5.327876873218561,5.336564575943168,5.342355736647155,third
+273,10.14,98,4.182952741639124e+17,1.51,0.412109650826833,190.3,Branched,Acid,0,0.07411554687732166,0.041077960464315576,3.6,1.522783074838669,1.1287617893796154,0.9364272910933085,0.8182775089890404,0.7352983281198008,0.6740663507236742,0.6254719414296689,0.5860089751589517,0.5533076603489634,0.5255100560317802,3.33,3.33,3.33,3.33,3.33,3.33,3.33,3.33,3.33,3.33,3.33,2.61,3.3024056417204433,3.433746070206795,3.4978575696355634,3.537240830336986,3.564900557293399,3.5853112164254415,3.6015093528567763,3.6146636749470153,3.6255641132170116,3.6348299813227394,third
+274,9.61,95,3.2795048126982636e+16,0.93,-0.07257069283483537,109.5,Linear,Acid,1,0.025386557017098244,0.022294380244739304,1.34,1.2602074455498102,1.1905705984395292,1.1295846852653937,1.0759529149184828,1.028820657466663,0.9874178896594263,0.9510206979655893,0.9189512785732927,0.8905779373900014,0.865315090042504,4.64,4.5602074455498105,4.490570598439529,4.429584685265394,4.375952914918483,4.328820657466664,4.287417889659427,4.25102069796559,4.218951278573293,4.190577937390001,4.165315090042505,2.29,2.3697925544501897,2.439429401560471,2.500415314734606,2.554047085081517,2.601179342533337,2.6425821103405736,2.678979302034411,2.711048721426707,2.7394220626099988,2.764684909957496,second
+275,12.22,98,1.9606148661187098e+17,0.56,-0.579818495252942,144.1,Branched,Base,0,0.04755473126563616,0.0313489102859834,8.01,7.71099301654861,7.423147740988102,7.14604603882261,6.879286411184621,6.622485663057336,6.375273233166312,6.137291080709303,5.908193685356259,5.6876480472493265,5.47533368700285,1.46,1.46,1.46,1.46,1.46,1.46,1.46,1.46,1.46,1.46,1.46,2.34,2.6390069834513903,2.926852259011898,3.2039539611773904,3.47071358881538,3.7275143369426647,3.9747267668336885,4.212708919290698,4.441806314643742,4.662351952750674,4.8746663129971495,first
+276,6.96,100,3.751290569380234e+17,0.62,-0.4780358009429998,151.8,Ring,Base,1,0.04445319314374939,0.025814996223122378,9.56,8.992268980225122,8.61317741897156,8.352133504548338,8.170814679303978,8.0412068729549,7.94821134870985,7.881672604356933,7.8331029187135135,7.797733133480881,7.772000825823764,2.27,1.7022689802251207,1.32317741897156,1.0621335045483367,0.8808146793039783,0.7512068729549007,0.6582113487098504,0.5916726043569334,0.5431029187135137,0.5077331334808803,0.48200082582376436,3.6,4.167731019774879,4.54682258102844,4.8078664954516634,4.989185320696022,5.1187931270451,5.21178865129015,5.278327395643067,5.326897081286487,5.3622668665191195,5.387999174176236,second
+276,13.13,93,4.444597038264379e+17,4.73,1.5539252025038417,172.3,Unknown,Acid,1,1.1127410036428738,0.6024684765956568,8.36,1.7716351710539635,1.7669166489786436,1.7684961403038528,1.7676053188631353,1.7689479248945539,1.7675875027961547,1.76677690546688,1.7678453042433662,1.7672025316713078,1.7690739925697576,3.94,3.94,3.94,3.94,3.94,3.94,3.94,3.94,3.94,3.94,3.94,2.48,5.7741824144730165,5.776541675510676,5.775751929848071,5.77619734056843,5.775526037552721,5.7762062486019214,5.776611547266558,5.7760773478783145,5.776398734164345,5.775463003715119,second
+274,6.53,98,3.253328845017298e+17,3.25,1.1786549963416462,76.1,Branched,Acid,0,0.0674824316384115,0.05486056077199242,5.37,5.316014054689271,5.262028109378542,5.2080421640678125,5.154056218757083,5.100070273446354,5.046084328135625,4.992098382824896,4.9381124375141665,4.884126492203437,4.830140546892708,3.52,3.52,3.52,3.52,3.52,3.52,3.52,3.52,3.52,3.52,3.52,4.72,4.773985945310729,4.827971890621458,4.881957835932187,4.9359437812429166,4.989929726553646,5.043915671864375,5.097901617175104,5.151887562485833,5.2058735077965625,5.259859453107292,zero
+280,1.35,98,2.954175288487543e+17,1.48,0.3920420877760237,110.4,Branched,Base,1,0.1540465447084055,0.1169796413079839,1.6,1.623815422952381,1.642985692582663,1.6584108931432329,1.67092988770459,1.6811484989770507,1.689315969502111,1.6957174289496013,1.700683334341693,1.7045894700528954,1.7078569478100576,3.99,3.99,3.99,3.99,3.99,3.99,3.99,3.99,3.99,3.99,3.99,2.39,2.3661845770476195,2.347014307417337,2.3315891068567676,2.3190701122954103,2.3088515010229496,2.3006840304978895,2.294282571050399,2.289316665658307,2.285410529947105,2.2821430521899426,first
+278,10.71,94,5.149706001221693e+16,3.92,1.366091653802371,197.9,Unknown,None,0,0.11196235189726624,0.06275118866525471,5.56,5.138510821744022,5.103713142830614,5.100361666732473,5.100035769079704,5.100003272914912,5.100000102475841,5.099999898861356,5.100000593872433,5.09999786345993,5.100002646481738,0.23,0.019255410872011047,0.0018565714153068978,0.00018083336623723616,1.7884539852505737e-05,1.6364574563177493e-06,5.1237920581161004e-08,-5.0569321166196686e-08,2.96936216566946e-07,-1.068270034352218e-06,1.3232408699498124e-06,2.12,2.3307445891279888,2.348143428584693,2.3498191666337633,2.349982115460148,2.349998363542544,2.3499999487620795,2.3500000505693217,2.3499997030637836,2.3500010682700347,2.3499986767591308,third
+279,7.34,95,3.064357751145642e+17,1.35,0.30010459245033816,137.4,Branched,Enzyme,1,0.5008510113540937,0.33160413512893155,6.43,1.2320896884423285,1.2293414933773645,1.2282454522123474,1.2290116942302722,1.2303776561079254,1.2284545236405873,1.228422782700239,1.2304493539874033,1.229183607946213,1.2292797623216287,3.92,3.92,3.92,3.92,3.92,3.92,3.92,3.92,3.92,3.92,3.92,1.07,2.802636770519224,2.803552835540879,2.8039181825958845,2.8036627685899096,2.8032074479640254,2.803848492119805,2.803859072433254,2.803183548670866,2.803605464017929,2.8035734125594574,third
+270,3.28,96,3.245442153439621e+17,3.22,1.169381359556317,20.7,Ring,Enzyme,1,0.08675342863085325,0.07238052815791543,3.43,1.4747256552197678,1.1737549770776876,1.0589670017096438,1.0062081269935044,0.9791824473241786,0.9657280953582528,0.9580634622281179,0.9544331649499066,0.9523444722487904,0.9511359029545488,3.21,3.21,3.21,3.21,3.21,3.21,3.21,3.21,3.21,3.21,3.21,0.2,0.8517581149267442,0.9520816743074377,0.9903443327634522,1.0079306243354986,1.016939184225274,1.021423968213916,1.0239788459239607,1.025188945016698,1.02588517591707,1.0262880323484838,third
+277,4.73,93,2.5888017503611478e+17,4.3,1.4586150226995167,111.7,Ring,Base,0,0.7502458319698264,0.5657430187671234,5.19,1.8416566443232436,1.746728787067376,1.732738288266118,1.7304548855472326,1.7300751529269232,1.7300124627414721,1.7300019313299762,1.7300001588061844,1.7300005181384284,1.7300000956677362,1.73,0.0558283221616216,0.008364393533687777,0.0013691441330587488,0.00022744277361614755,3.757646346141632e-05,6.231370735882511e-06,9.656649879313632e-07,7.940309210032261e-08,2.590692140499824e-07,4.783386785186352e-08,1.21,2.8841716778383777,2.931635606466312,2.9386308558669407,2.9397725572263833,2.939962423536538,2.939993768629263,2.9399990343350115,2.939999920596907,2.939999740930785,2.939999952166131,third
+270,7.28,96,4.286393472126292e+17,2.81,1.0331844833456545,98.8,Linear,Enzyme,1,0.1145789425868384,0.07832310710787406,7.39,7.564933212715757,7.645505209909635,7.682023213591857,7.698294866358721,7.705728202462362,7.708951091205029,7.710489688597303,7.711038262174089,7.711384830553556,7.711520008238095,0.07,0.24493321271575785,0.3255052099096349,0.3620232135918577,0.3782948663587221,0.38572820246236217,0.38895109120502946,0.3904896885973032,0.39103826217408905,0.39138483055355633,0.39152000823809563,4.74,4.565066787284243,4.484494790090365,4.447976786408143,4.4317051336412785,4.424271797537638,4.421048908794971,4.419510311402697,4.418961737825911,4.4186151694464435,4.418479991761905,second
+271,9.72,100,2.7205759628289894e+17,4.59,1.5238800240724537,77.6,Branched,Enzyme,0,0.014427457297505794,0.009655612482323139,2.81,2.7777535278066474,2.745877103662003,2.714366480440976,2.6832174592536355,2.6524258927198523,2.6219876798356245,2.59189876547967,2.562155140413426,2.532752841281049,2.503687950609415,4.67,4.67,4.67,4.67,4.67,4.67,4.67,4.67,4.67,4.67,4.67,0.41,0.4422464721933527,0.4741228963379971,0.5056335195590241,0.5367825407463644,0.5675741072801479,0.5980123201643757,0.6281012345203302,0.6578448595865741,0.6872471587189511,0.7163120493905853,first
+270,3.99,97,2.5860922954892e+16,2.13,0.7561219797213337,54.8,Branched,None,0,0.0044278018624003485,0.002920764028633448,6.98,6.89600619675968,6.815013969353823,6.736871156580178,6.661435039451309,6.5885737991167765,6.518163872095942,6.450088580826853,6.384238133666246,6.320509624889542,6.258807034690848,3.46,3.3760061967596795,3.2950139693538225,3.216871156580177,3.1414350394513084,3.068573799116775,2.9981638720959403,2.930088580826852,2.864238133666245,2.800509624889541,2.738807034690848,4.13,4.21399380324032,4.294986030646177,4.373128843419822,4.448564960548691,4.521426200883224,4.591836127904059,4.659911419173147,4.725761866333754,4.789490375110458,4.851192965309152,second
+271,10.08,98,4.20244045206227e+17,2.92,1.0715836162801904,133.1,Unknown,Acid,1,0.05414270260936908,0.04453487174743066,6.52,5.595945953592363,5.42554812897791,5.384990979949742,5.374796075795462,5.372183465528223,5.371542804476793,5.371393279508317,5.371302331870698,5.371334240269211,5.371330921381278,0.66,0.19797297679618153,0.11277406448895552,0.0924954899748713,0.08739803789773151,0.08609173276411161,0.08577140223839703,0.0856966397541591,0.0856511659353495,0.08566712013460548,0.08566546069063968,2.43,2.8920270232038185,2.977225935511045,2.997504510025129,3.002601962102269,3.0039082672358886,3.0042285977616032,3.0043033602458413,3.004348834064651,3.0043328798653945,3.004334539309361,third
+279,13.48,96,4.4330674397142746e+17,4.89,1.5871923034867805,134.9,Unknown,Acid,0,0.47081005940330267,0.3687660021024641,9.18,8.803351952477357,8.426703904954715,8.050055857432072,7.673407809909431,7.296759762386789,6.920111714864146,6.543463667341504,6.166815619818861,5.79016757229622,5.413519524773577,0.27,0.27,0.27,0.27,0.27,0.27,0.27,0.27,0.27,0.27,0.27,4.58,4.956648047522642,5.333296095045285,5.7099441425679265,6.086592190090569,6.463240237613211,6.839888285135854,7.216536332658496,7.593184380181139,7.96983242770378,8.346480475226423,zero
+280,2.79,93,2.284123075669755e+17,1.42,0.35065687161316933,188.0,Unknown,Enzyme,1,1.0203057147615198,0.6505217553942407,3.61,2.687770577442373,2.6702474621709946,2.669342736974063,2.668868392676645,2.669139864725299,2.66979205990118,2.670679541034252,2.671347531426479,2.67070074685749,2.6703299944106993,2.28,1.357770577442373,1.3402474621709943,1.3393427369740627,1.3388683926766447,1.339139864725299,1.33979205990118,1.340679541034252,1.341347531426479,1.3407007468574896,1.340329994410699,4.67,5.592229422557627,5.6097525378290065,5.610657263025938,5.611131607323356,5.610860135274701,5.610207940098821,5.609320458965748,5.6086524685735215,5.609299253142511,5.609670005589302,second
+277,9.18,95,1.2312865764684205e+17,4.49,1.501852701754163,175.8,Ring,Base,0,0.14972864900490537,0.1135399307809241,2.22,2.100217080796076,1.9804341615921512,1.8606512423882269,1.7408683231843027,1.6210854039803784,1.501302484776454,1.3815195655725296,1.2617366463686053,1.1419537271646807,1.022170807960756,0.01,0.01,0.01,0.01,0.01,0.01,0.01,0.01,0.01,0.01,0.01,2.32,2.439782919203924,2.5595658384078486,2.679348757611773,2.7991316768156973,2.918914596019621,3.038697515223546,3.15848043442747,3.2782633536313948,3.398046272835319,3.5178291920392435,zero
+275,8.15,100,1.3022660121474947e+17,4.37,1.4747630091074988,172.9,Branched,None,0,0.013170405153932736,0.007944361494566739,4.94,4.184825062917685,3.713931991105754,3.3863885431904595,3.139736934301391,2.947278374105651,2.791526488516184,2.6611898736197626,2.5507378272485903,2.4557042970899396,2.3726914605494698,1.94,1.5624125314588422,1.3269659955528768,1.1631942715952295,1.0398684671506953,0.9436391870528253,0.8657632442580919,0.8005949368098813,0.745368913624295,0.6978521485449697,0.6563457302747349,0.13,0.5075874685411578,0.743034004447123,0.9068057284047704,1.0301315328493046,1.1263608129471745,1.204236755741908,1.2694050631901188,1.324631086375705,1.3721478514550303,1.4136542697252652,third
+280,11.53,98,4.4310023628479136e+17,2.97,1.0885619528146082,146.1,Branched,None,1,0.23105622955128172,0.20268773987840275,5.51,5.056254922544914,4.735729784259149,4.507973461494119,4.347912529618687,4.236365492139469,4.1560290410519904,4.098825571875503,4.05929628516162,4.031594296449616,4.011393072085066,0.55,0.55,0.55,0.55,0.55,0.55,0.55,0.55,0.55,0.55,0.55,2.97,3.423745077455086,3.744270215740851,3.9720265385058813,4.132087470381314,4.2436345078605315,4.32397095894801,4.381174428124497,4.42070371483838,4.448405703550384,4.4686069279149345,first
+280,10.76,93,3.6171586387686816e+17,2.71,0.9969486348916096,90.2,Linear,Enzyme,1,1.6157656606365305,1.3090316305321852,4.36,3.134498525541731,3.015539847492709,3.0042120654500506,3.0028724539993386,3.002563651530534,3.0040282437021872,3.0019562167807017,3.00412357418978,3.0046551191526003,3.003478074395082,0.3,0.3,0.3,0.3,0.3,0.3,0.3,0.3,0.3,0.3,0.3,2.35,3.57550147445827,3.694460152507292,3.7057879345499503,3.7071275460006623,3.707436348469467,3.7059717562978136,3.708043783219299,3.705876425810221,3.7053448808474005,3.706521925604919,first
+278,10.17,98,3.138009617393104e+17,1.73,0.5481214085096876,183.5,Branched,Enzyme,0,0.12087574073091957,0.08111348631230217,1.69,1.2734727867638815,1.023608365020668,0.8544014208286419,0.7342198201540344,0.6427257876025846,0.5717876750713953,0.5154493540928531,0.4689206296650102,0.4299311511628822,0.39692923369747074,1.37,1.37,1.37,1.37,1.37,1.37,1.37,1.37,1.37,1.37,1.37,1.55,1.7582636066180592,1.883195817489666,1.967799289585679,2.027890089922983,2.073637106198708,2.1091061624643026,2.1372753229535735,2.1605396851674947,2.1800344244185585,2.1965353831512644,second
+272,1.32,92,2.631075545388152e+17,1.32,0.27763173659827955,94.6,Linear,Acid,0,0.5648022133335101,0.35477015290773145,3.36,2.908158229333192,2.4563164586663837,2.004474687999575,1.5526329173327673,1.1007911466659595,0.6489493759991509,0.19710760533234328,-0.25473416533446436,-0.7065759360012729,-1.1584177066680796,3.88,3.88,3.88,3.88,3.88,3.88,3.88,3.88,3.88,3.88,3.88,2.83,3.281841770666808,3.7336835413336162,4.185525312000425,4.637367082667232,5.089208853334041,5.5410506240008495,5.992892394667656,6.444734165334465,6.896575936001273,7.34841770666808,zero
+274,12.49,99,3.600702985002547e+17,2.03,0.7080357930536959,54.0,Ring,Enzyme,1,0.04815105430795353,0.0387883316636266,5.46,2.062108934909249,1.6462093417535066,1.4955003297103422,1.4293445010681878,1.3978384251802716,1.3820274334894327,1.3741733232271338,1.3704983833082662,1.3682857610998982,1.3672436895160158,2.07,2.07,2.07,2.07,2.07,2.07,2.07,2.07,2.07,2.07,2.07,1.8,2.9326303550302506,3.0712635527488312,3.1214998900965525,3.1435518329772707,3.1540538582732425,3.1593241888368557,3.1619422255909555,3.163167205563911,3.163904746300034,3.164252103494661,third
+271,13.65,91,1.012798412884782e+17,4.42,1.4861396960896067,147.5,Linear,Acid,0,0.291638159223912,0.14671199209258826,2.86,1.2256293585606193,0.7801995248086993,0.5726555979680262,0.4523272139027959,0.3735973632953402,0.31830567575550794,0.27747300333049496,0.24563520431946853,0.2204236398568472,0.1999146049182226,3.36,3.36,3.36,3.36,3.36,3.36,3.36,3.36,3.36,3.36,3.36,0.07,0.8871853207196901,1.1099002375956504,1.2136722010159868,1.2738363930486019,1.31320131835233,1.340847162122246,1.3612634983347522,1.3771823978402655,1.3897881800715761,1.4000426975408884,second
+275,9.62,90,1.846000168351232e+17,1.83,0.6043159668533296,71.2,Ring,None,0,1.4812938592815201,0.946839616822137,2.54,0.7778154543851717,0.23792222039083824,0.07277878946284065,0.022282452242083105,0.006827894801492018,0.0020906400292674088,0.0006395157350475889,0.00019560323808419123,5.983390860864655e-05,1.854287912755071e-05,2.79,2.79,2.79,2.79,2.79,2.79,2.79,2.79,2.79,2.79,2.79,2.92,2.92,2.92,2.92,2.92,2.92,2.92,2.92,2.92,2.92,2.92,first
+272,11.92,97,1.4478121922428864e+17,1.92,0.6523251860396901,142.8,Ring,Enzyme,0,0.03406003058689554,0.024144410201585743,2.34,2.275412181714315,2.21633494610793,2.1621171788712057,2.1121997087333213,2.066142395460963,2.0235515109175846,1.9840717961381946,1.9473864613293546,1.9132171858691813,1.881324118307346,1.06,0.995412181714315,0.9363349461079302,0.8821171788712057,0.832199708733321,0.7861423954609629,0.7435515109175848,0.7040717961381946,0.6673864613293545,0.6332171858691814,0.6013241183073459,3.61,3.674587818285685,3.7336650538920697,3.787882821128794,3.8378002912666784,3.883857604539037,3.926448489082415,3.965928203861805,4.002613538670645,4.036782814130818,4.068675881692654,second
+274,9.94,95,1.4024277293897197e+17,3.06,1.1184149159642893,134.8,Ring,None,1,0.10856154678187217,0.0843585894873564,9.79,1.8319522247837872,1.7223545994256397,1.7128550034631642,1.7116956630447335,1.7107717932441824,1.7126572104848163,1.71130588973458,1.710056644608748,1.7146641148126476,1.7120940465485857,4.6,4.6,4.6,4.6,4.6,4.6,4.6,4.6,4.6,4.6,4.6,3.76,6.412682591738737,6.4492151335247865,6.452381665512279,6.452768112318422,6.453076068918606,6.452447596505062,6.45289803675514,6.453314451797084,6.451778628395783,6.452635317817138,third
+278,13.19,94,2.0660179353272976e+17,1.31,0.2700271372130602,193.2,Branched,Acid,1,0.44918336512084756,0.3207258137212647,5.61,4.1486307029772105,3.9655452153716433,3.936338808486144,3.9315241697134997,3.930662200605063,3.9304957680450925,3.9306039785352964,3.93023732832893,3.9307555599110158,3.930634581611877,2.03,0.5686307029772104,0.385545215371643,0.35633880848614335,0.3515241697134992,0.3506622006050625,0.3504957680450918,0.35060397853529596,0.3502373283289291,0.35075555991101526,0.35063458161187616,0.25,1.7113692970227894,1.8944547846283568,1.9236611915138564,1.9284758302865006,1.9293377993949374,1.9295042319549083,1.9293960214647041,1.929762671671071,1.9292444400889848,1.929365418388124,second
+278,10.29,97,4.943678594851844e+17,2.16,0.7701082216960737,110.5,Linear,Acid,0,0.29351904178150345,0.21988788311864796,7.91,7.675184766574797,7.440369533149594,7.205554299724392,6.970739066299189,6.735923832873986,6.501108599448783,6.2662933660235804,6.0314781325983775,5.796662899173174,5.561847665747971,3.52,3.52,3.52,3.52,3.52,3.52,3.52,3.52,3.52,3.52,3.52,2.23,2.464815233425203,2.699630466850406,2.9344457002756084,3.1692609337008113,3.4040761671260142,3.638891400551217,3.87370663397642,4.108521867401623,4.343337100826827,4.57815233425203,zero
+276,2.93,99,4.194506558768433e+17,3.24,1.1755733298042381,108.4,Ring,Enzyme,1,0.07685390027222659,0.044924259511304826,8.21,5.347515930367416,5.118368641394497,5.080527945131396,5.073701721427258,5.07247204960627,5.072264234504465,5.072174603855076,5.072195448545246,5.072136385205502,5.072263419689079,1.64,0.20875796518370715,0.09418432069724841,0.07526397256569796,0.07185086071362885,0.07123602480313479,0.07113211725223267,0.07108730192753798,0.07109772427262298,0.071068192602751,0.07113170984453937,1.56,2.9912420348162927,3.105815679302752,3.1247360274343023,3.1281491392863714,3.1287639751968657,3.128867882747768,3.1289126980724626,3.1289022757273774,3.1289318073972496,3.128868290155461,third
+273,10.64,90,2.9896502293472166e+17,2.32,0.8415671856782185,53.7,Branched,Base,0,1.7979907219511386,1.2478220045152728,1.3,0.3088188833965065,0.07338090161844785,0.017446592935922843,0.004143941344808372,0.0009860060366013793,0.00023388722826617658,5.5663797950284284e-05,1.3280536719256324e-05,3.0634233506893785e-06,8.665689881330417e-07,3.62,3.62,3.62,3.62,3.62,3.62,3.62,3.62,3.62,3.62,3.62,4.67,4.67,4.67,4.67,4.67,4.67,4.67,4.67,4.67,4.67,4.67,first
+280,12.51,93,3.808148911824633e+17,1.69,0.5247285289349821,71.0,Linear,Base,0,1.7010800069336145,1.5017234447758323,7.67,3.7299987476601992,3.7300021277551973,3.7299993675334617,3.7299994765244846,3.730001467748707,3.7300011125752457,3.729999363307341,3.7299994838828208,3.7300011993779774,3.7300002982418574,1.97,-6.261699008474756e-07,1.0638775980993323e-06,-3.1623326965055235e-07,-2.6173775787492895e-07,7.338743533948875e-07,5.562876225139289e-07,-3.183463299117089e-07,-2.5805858980823877e-07,5.996889885243004e-07,1.4912092822523536e-07,2.67,4.640000626169899,4.639998936122399,4.640000316233268,4.6400002617377565,4.6399992661256455,4.6399994437123775,4.640000318346329,4.6400002580585875,4.63999940031101,4.63999985087907,third
+270,12.07,91,1.238099193425348e+17,2.83,1.0402767116551463,105.8,Ring,Acid,0,0.306980861397527,0.2092015898609606,9.31,0.8221583112658848,0.5825772672778069,0.47582882854308894,0.41251907588113623,0.3687618692713336,0.3368947810377223,0.3119210813191867,0.2916994458882892,0.27501431679395294,0.2608919240788742,3.85,3.85,3.85,3.85,3.85,3.85,3.85,3.85,3.85,3.85,3.85,2.02,4.849280562911371,4.929140910907397,4.964723723818969,4.985826974706287,5.0004127102428875,5.011035072987425,5.01935963956027,5.026100184703902,5.031661894402014,5.036369358640374,third
+275,5.08,99,2.903895813026561e+17,1.01,0.009950330853168092,160.4,Linear,Acid,0,0.0454811529271774,0.032197530514024186,4.59,4.553615077658258,4.517230155316516,4.480845232974774,4.4444603106330325,4.40807538829129,4.371690465949548,4.335305543607807,4.298920621266064,4.262535698924323,4.226150776582581,1.57,1.57,1.57,1.57,1.57,1.57,1.57,1.57,1.57,1.57,1.57,3.63,3.6663849223417415,3.7027698446834836,3.7391547670252256,3.7755396893669677,3.8119246117087093,3.8483095340504514,3.8846944563921935,3.921079378733935,3.957464301075677,3.993849223417419,zero
+275,6.16,93,4.1793528372873536e+17,1.96,0.6729444732424258,32.8,Linear,None,0,0.9029537512312061,0.7613110263721024,8.05,5.349518418541605,5.310850143206649,5.310018651740694,5.310000527228416,5.309999615226173,5.309999225918822,5.309998514518813,5.3099999220420955,5.310000553461222,5.310000568195808,2.74,0.039518418541604566,0.0008501432066479833,1.865174069347764e-05,5.272284153976137e-07,-3.8477382811533766e-07,-7.740811782236621e-07,-1.4854811873935333e-06,-7.7957904820072e-08,5.534612213993124e-07,5.681958075069268e-07,1.09,3.790481581458396,3.8291498567933524,3.8299813482593073,3.8299994727715854,3.830000384773829,3.8300007740811792,3.830001485481189,3.830000077957906,3.8299994465387797,3.8299994318041937,second
+277,11.36,97,3.0305374807823424e+17,1.4,0.3364722366212129,54.2,Ring,Enzyme,0,0.15463449635251225,0.09362658135165546,8.0,7.876292402917991,7.752584805835981,7.628877208753971,7.5051696116719615,7.381462014589951,7.257754417507941,7.134046820425932,7.010339223343922,6.886631626261912,6.762924029179903,1.79,1.79,1.79,1.79,1.79,1.79,1.79,1.79,1.79,1.79,1.79,2.19,2.3137075970820096,2.437415194164019,2.5611227912460293,2.684830388328039,2.808537985410049,2.9322455824920586,3.0559531795740686,3.1796607766560783,3.3033683737380883,3.4270759708200975,zero
+274,1.22,94,2.620394531640958e+16,0.52,-0.6539264674066639,116.6,Linear,None,0,0.031463459603493844,0.019827917699192454,1.27,1.025101614663769,0.8637926944988745,0.7475026173843802,0.6607660613179379,0.5928682147522256,0.5374007716840555,0.4918742805496957,0.453972486230088,0.42172334063499994,0.39362189368527906,3.8,3.6775508073318846,3.5968963472494373,3.53875130869219,3.495383030658969,3.4614341073761126,3.4337003858420276,3.410937140274848,3.391986243115044,3.3758616703174997,3.3618109468426396,4.1,4.222449192668115,4.303103652750562,4.36124869130781,4.404616969341031,4.4385658926238865,4.466299614157972,4.489062859725152,4.508013756884956,4.5241383296825,4.53818905315736,third
+270,10.33,90,3.0357077747892154e+17,2.84,1.0438040521731147,191.9,Ring,Acid,1,1.17512601163203,0.6386089248603324,4.58,3.0798107517368605,2.727070517520863,2.6446397694705563,2.6254806918636784,2.6214904935529337,2.619685421715081,2.619980730780996,2.618798861400411,2.620569716410243,2.6200042116558464,4.77,4.77,4.77,4.77,4.77,4.77,4.77,4.77,4.77,4.77,4.77,2.86,4.36018924826314,4.7129294824791375,4.795360230529444,4.8145193081363225,4.818509506447067,4.820314578284919,4.820019269219004,4.821201138599589,4.819430283589757,4.819995788344153,first
+276,12.73,93,2.8908828961653696e+17,3.37,1.2149127443642704,44.4,Linear,Acid,0,0.7237560362838287,0.6260360368574034,8.53,4.450095824582226,4.27553264224412,4.261318097907936,4.26011191679044,4.260009494775763,4.260000767767321,4.259999980122066,4.259999525281807,4.260000703424281,4.260000129152673,4.27,0.190095824582226,0.015532642244119658,0.001318097907935365,0.00011191679043959388,9.4947757620169e-06,7.677673197962658e-07,-1.987793533819772e-08,-4.7471819362488126e-07,7.034242807052874e-07,1.291526732873225e-07,4.36,8.439904175417773,8.614467357755881,8.628681902092067,8.629888083209563,8.62999050522424,8.629999232232683,8.630000019877938,8.630000474718196,8.629999296575722,8.629999870847328,second
+279,10.7,96,4.0971409574052717e+17,0.74,-0.3011050927839216,46.5,Ring,Enzyme,1,0.43513328045918676,0.25031153941031614,7.12,5.373974891326301,4.363946195411233,3.782512200969955,3.4444460469463527,3.250898022992633,3.137289025415399,3.0732959582062924,3.034971322323726,3.013255164712392,3.0013752422246482,4.44,4.44,4.44,4.44,4.44,4.44,4.44,4.44,4.44,4.44,4.44,1.05,2.7960251086736987,3.806053804588767,4.387487799030045,4.725553953053647,4.919101977007367,5.0327109745846,5.096704041793708,5.135028677676274,5.156744835287609,5.168624757775352,first
+280,13.98,92,2.5716624880786128e+17,0.9,-0.10536051565782628,139.6,Linear,Acid,0,1.7651589183615588,1.2653150978324796,7.47,6.0578728653107525,4.645745730621506,3.233618595932258,1.8214914612430113,0.40936432655376453,-1.0027628081354845,-2.41488994282473,-3.827017077513978,-5.239144212203223,-6.651271346892467,2.59,2.59,2.59,2.59,2.59,2.59,2.59,2.59,2.59,2.59,2.59,0.66,2.072127134689247,3.4842542693784937,4.896381404067741,6.308508538756988,7.720635673446235,9.132762808135483,10.54488994282473,11.957017077513978,13.369144212203222,14.781271346892467,zero
+273,5.43,92,2.8573658525424288e+17,1.07,0.06765864847381486,194.0,Branched,Base,0,0.711947122073703,0.4431740479435387,2.48,1.9104423023410373,1.3408846046820748,0.7713269070231122,0.20176920936414988,-0.36778848829481214,-0.9373461859537751,-1.5069038836127373,-2.0764615812717,-2.6460192789306607,-3.215576976589623,3.22,3.22,3.22,3.22,3.22,3.22,3.22,3.22,3.22,3.22,3.22,0.86,1.4295576976589626,1.999115395317925,2.5686730929768875,3.13823079063585,3.707788488294812,4.277346185953775,4.846903883612737,5.4164615812717,5.9860192789306605,6.555576976589623,zero
+273,6.24,91,3.3868588893337816e+16,3.51,1.2556160374777743,51.2,Linear,Acid,1,0.13110570166325194,0.11720973612419981,2.75,1.3983566250161334,1.2709614818501795,1.2465654031354954,1.2415837475496507,1.2406759103386766,1.2399716531491203,1.2404671421579854,1.2392342223379214,1.2402489123825517,1.2410187329042681,4.77,4.77,4.77,4.77,4.77,4.77,4.77,4.77,4.77,4.77,4.77,1.63,2.080547791661289,2.123012839383274,2.131144865621502,2.13280541748345,2.133108029887108,2.1333427822836266,2.133177619280672,2.1335885925540263,2.1332503625391497,2.1329937556985774,third
+278,8.94,96,3.666404679866278e+17,3.86,1.3506671834767394,36.3,Linear,Enzyme,1,0.33552711775717503,0.1740848498106413,5.21,1.0095807862222175,0.9424614058046795,0.9356247370180749,0.934903663842494,0.935103491739813,0.934598998983606,0.9349614436711332,0.9356982805250438,0.9343001942020065,0.9354945199194041,2.58,2.58,2.58,2.58,2.58,2.58,2.58,2.58,2.58,2.58,2.58,0.15,1.5501397379259274,1.5725128647317734,1.5747917543273082,1.575032112052502,1.5749655027533955,1.5751336670054645,1.575012852109622,1.5747672398249852,1.5752332685993309,1.574835160026865,third
+277,8.8,93,2.634077727474898e+17,3.91,1.3635373739972745,107.6,Branched,Base,1,0.7633670039997872,0.6752797268762242,8.02,6.498344106178451,6.016407113340432,5.862876907764695,5.814200486538891,5.800191362269623,5.7940382987125,5.793746667072575,5.791677041687106,5.792789102662098,5.792978951621515,0.77,0.77,0.77,0.77,0.77,0.77,0.77,0.77,0.77,0.77,0.77,4.32,5.841655893821549,6.323592886659568,6.4771230922353045,6.525799513461108,6.539808637730377,6.5459617012875,6.546253332927425,6.548322958312894,6.5472108973379015,6.547021048378485,first
+279,8.99,96,7.398877507827958e+16,1.5,0.4054651081081644,71.6,Unknown,Base,0,0.07857913298974675,0.044426359135797434,4.9,2.093759435606023,1.4851588684394574,1.1863980322599998,1.0031907246805716,0.8750951367670726,0.7809495062698466,0.7076840915320818,0.6483194948773839,0.5994469015344753,0.5582941114423257,3.14,1.736879717803011,1.4325794342197282,1.2831990161299993,1.1915953623402853,1.1275475683835359,1.0804747531349228,1.0438420457660404,1.0141597474386914,0.9897234507672372,0.9691470557211623,4.55,5.953120282196989,6.257420565780272,6.40680098387,6.498404637659714,6.562452431616465,6.609525246865077,6.64615795423396,6.675840252561309,6.700276549232763,6.720852944278838,third
+280,1.1,96,1.3614530952983587e+17,3.96,1.3762440252663892,23.3,Linear,Acid,1,0.16762408918990007,0.1317804421689225,1.07,1.6388892248469367,1.8612612065778447,1.924661970456654,1.9410211412880327,1.9447939735690594,1.9456130281788115,1.9462143063657884,1.9459109927777862,1.945997971148181,1.9460597295254005,0.32,0.6044446124234683,0.7156306032889223,0.747330985228327,0.7555105706440163,0.7573969867845296,0.7578065140894057,0.7581071531828941,0.757955496388893,0.7579989855740904,0.7580298647627002,4.09,3.8055553875765322,3.6943693967110782,3.6626690147716734,3.6544894293559844,3.652603013215471,3.652193485910595,3.6518928468171064,3.652044503611107,3.65200101442591,3.6519701352373004,third
+270,13.09,90,3.8389176763395904e+17,3.31,1.1969481893889715,174.2,Unknown,None,1,1.486049499047674,1.26549644738633,2.62,1.3509634811056817,1.3519205394127347,1.3526653297002276,1.350862798182548,1.3522562407516499,1.3522829973229318,1.350824035065378,1.3526197833630302,1.3518675561349072,1.352048996112305,3.06,2.4254817405528413,2.4259602697063674,2.426332664850114,2.425431399091275,2.4261281203758256,2.4261414986614667,2.42541201753269,2.426309891681517,2.4259337780674555,2.426024498056155,4.57,5.204518259447159,5.204039730293632,5.203667335149886,5.204568600908725,5.203871879624174,5.203858501338533,5.204587982467311,5.203690108318486,5.204066221932546,5.203975501943846,third
+274,7.03,97,3.9034119956902586e+17,1.92,0.6523251860396901,171.1,Unknown,None,0,0.12558894425188746,0.07470070107638176,2.64,2.387645138687891,2.1594133895329484,1.952946401664859,1.7660997293111662,1.5971323056257825,1.4444152223594418,1.3064152283624866,1.1816947295848688,1.068911789076147,0.9668201269854899,3.67,3.67,3.67,3.67,3.67,3.67,3.67,3.67,3.67,3.67,3.67,4.79,4.79,4.79,4.79,4.79,4.79,4.79,4.79,4.79,4.79,4.79,first
+277,1.93,98,4.3564512068549434e+17,2.97,1.0885619528146082,25.0,Unknown,Base,1,0.14399256249095507,0.1070654354662446,3.49,2.435591779198704,2.1299534695555735,2.0266021434867705,1.9885815238698952,1.9747674084401798,1.9699366155851787,1.9677600647781779,1.9670257321852684,1.9671623150582813,1.9668383541807344,2.11,2.11,2.11,2.11,2.11,2.11,2.11,2.11,2.11,2.11,2.11,4.44,4.967204110400648,5.120023265222213,5.171698928256615,5.190709238065052,5.19761629577991,5.200031692207411,5.201119967610911,5.201487133907365,5.20141884247086,5.201580822909633,second
+270,5.95,95,2.4015430339659654e+17,1.16,0.14842000511827322,131.0,Branched,Acid,1,0.1002240077578926,0.06253504054077953,1.44,1.2474945292544297,1.1275343002783542,1.0502380982794737,1.0008904169994448,0.9686071701255756,0.9470160735032627,0.9332136307027443,0.9240812258662817,0.9178735200758448,0.9137882920923408,4.14,3.9474945292544295,3.827534300278354,3.7502380982794734,3.7008904169994445,3.668607170125575,3.6470160735032624,3.633213630702744,3.624081225866281,3.617873520075844,3.6137882920923405,4.7,4.89250547074557,5.012465699721646,5.089761901720527,5.139109583000556,5.171392829874424,5.192983926496738,5.206786369297256,5.215918774133718,5.222126479924155,5.226211707907659,second
+279,5.94,96,1.7487605592249962e+17,3.27,1.184789984909162,190.4,Ring,None,0,0.1857255893278131,0.15364541242827848,9.11,1.0545067112935267,0.7478273035517387,0.6112668587053841,0.5300390323294613,0.47389610756329204,0.4327877975958018,0.4009493499963574,0.3749678198448647,0.3534844204897471,0.3353129828846262,0.7,0.7,0.7,0.7,0.7,0.7,0.7,0.7,0.7,0.7,0.7,4.12,6.8051644295688245,6.907390898816087,6.952911047098206,6.979986989223513,6.998701297478903,7.012404067468067,7.023016883334549,7.031677393385046,7.038838526503419,7.044895672371792,third
+279,7.72,90,1.3201716690705618e+17,2.85,1.0473189942805592,82.9,Branched,Base,0,1.8626787781499146,0.9545473444793701,2.63,0.5925209071621844,0.13373381133122636,0.030170379632610083,0.006810356527426224,0.0015371078040550996,0.00034704009900642227,7.81254425898109e-05,1.760911574002948e-05,3.8877041725034615e-06,1.0221696244632352e-06,0.14,0.14,0.14,0.14,0.14,0.14,0.14,0.14,0.14,0.14,0.14,0.46,2.497479092837815,2.9562661886687733,3.0598296203673896,3.083189643472574,3.0884628921959445,3.089652959900994,3.0899218745574104,3.08998239088426,3.0899961122958275,3.0899989778303754,first
+272,8.85,90,3.89004790462587e+17,1.95,0.6678293725756554,52.2,Ring,Base,1,2.0221349179231467,1.0759604994612413,2.39,1.3748199588762582,1.2895524169025139,1.2823281917717932,1.2817561402653632,1.2817177878519361,1.2805518862153467,1.282386815087326,1.2823843694836132,1.2812090522295576,1.28183363695396,0.35,0.35,0.35,0.35,0.35,0.35,0.35,0.35,0.35,0.35,0.35,1.3,2.3151800411237424,2.400447583097487,2.4076718082282076,2.4082438597346374,2.4082822121480643,2.409448113784654,2.4076131849126745,2.4076156305163874,2.408790947770443,2.4081663630460404,first
+278,4.14,100,3.701105940762706e+17,3.3,1.1939224684724346,34.2,Linear,Enzyme,0,0.060008676068208255,0.04978986467389363,2.73,1.6281241574609169,1.202190951791683,0.9674686335083951,0.8148365298923825,0.7072225121582136,0.6265981856948806,0.5629886308204397,0.5121484405084453,0.47051721704568805,0.43525987982583053,2.94,2.3890620787304577,2.176095475895841,2.058734316754197,1.9824182649461906,1.928611256079106,1.8882990928474397,1.8564943154102194,1.831074220254222,1.8102586085228434,1.7926299399129146,1.89,2.440937921269542,2.6539045241041586,2.7712656832458027,2.847581735053809,2.901388743920893,2.9417009071525597,2.97350568458978,2.998925779745777,3.019741391477156,3.0373700600870843,third
+273,4.29,90,1.4028697828434949e+17,0.82,-0.19845093872383832,135.3,Branched,Enzyme,0,0.8436929607678425,0.6821873282814249,3.23,0.4285554446673685,0.25181830154429896,0.18068795963562606,0.1416915009573213,0.11675950766364465,0.09948956110862348,0.08664398577893109,0.07687699983727717,0.06910966566679588,0.06274181805912822,2.67,1.269277722333684,1.1809091507721492,1.1453439798178127,1.1258457504786603,1.113379753831822,1.1047447805543114,1.0983219928894652,1.0934384999186382,1.0895548328333977,1.086370909029564,4.34,5.740722277666315,5.82909084922785,5.864656020182186,5.884154249521338,5.896620246168177,5.905255219445688,5.911678007110534,5.916561500081361,5.920445167166601,5.923629090970435,third
+275,5.27,97,2.949744468640919e+17,2.65,0.9745596399981308,21.0,Linear,Base,1,0.11079925534654839,0.09123378352597862,5.99,5.834680720821037,5.702547304417439,5.590102661627022,5.493969489406056,5.412055656193596,5.342657471581869,5.2840916562062885,5.2346953417454545,5.192826070921148,5.156861797498341,2.45,2.45,2.45,2.45,2.45,2.45,2.45,2.45,2.45,2.45,2.45,4.97,5.125319279178963,5.257452695582561,5.369897338372978,5.466030510593944,5.547944343806404,5.617342528418131,5.6759083437937115,5.7253046582545455,5.767173929078852,5.803138202501659,first
+277,1.62,98,5.935917844148559e+16,4.01,1.3887912413184778,21.9,Linear,Base,0,0.01961982312047496,0.015045397937006613,9.83,9.814304141503621,9.79860828300724,9.78291242451086,9.76721656601448,9.7515207075181,9.73582484902172,9.72012899052534,9.70443313202896,9.68873727353258,9.6730414150362,4.95,4.95,4.95,4.95,4.95,4.95,4.95,4.95,4.95,4.95,4.95,0.97,0.98569585849638,1.00139171699276,1.01708757548914,1.0327834339855197,1.0484792924818997,1.0641751509782797,1.0798710094746597,1.0955668679710397,1.1112627264674197,1.1269585849637995,zero
+270,12.65,90,4.878184486544075e+17,0.87,-0.13926206733350766,188.9,Unknown,Acid,0,1.8883508904528254,1.5417655043994702,3.97,2.459319287637739,0.9486385752754795,-0.5620421370867814,-2.0727228494490424,-3.583403561811303,-5.094084274173564,-6.604764986535827,-8.115445698898087,-9.62612641126035,-11.136807123622608,4.27,4.27,4.27,4.27,4.27,4.27,4.27,4.27,4.27,4.27,4.27,2.38,3.890680712362261,5.40136142472452,6.912042137086781,8.422722849449041,9.933403561811303,11.444084274173564,12.954764986535826,14.465445698898087,15.97612641126035,17.486807123622608,zero
+275,3.83,97,2.6981918254006746e+17,4.99,1.6074359097634274,193.0,Linear,Acid,0,0.101350353637338,0.08142308519709188,4.6,2.640770809577584,1.8503145390784135,1.4242639805781536,1.1574738957759365,0.9752517696251835,0.8428244270047097,0.7412293195097126,0.6621553842904854,0.5986081122659452,0.5456729784202585,2.52,2.52,2.52,2.52,2.52,2.52,2.52,2.52,2.52,2.52,2.52,1.14,2.1196145952112078,2.514842730460793,2.7278680097109227,2.8612630521120312,2.952374115187408,3.018587786497645,3.069385340245143,3.108922307854757,3.140695943867027,3.1671635107898704,second
+279,3.8,100,3.127380610513788e+17,1.03,0.02955880224154443,125.9,Unknown,Acid,0,0.05921222207788512,0.04631744338541722,7.47,7.124397920371244,6.7947851883671815,6.480414447154484,6.180584284410402,5.894630024772749,5.621912831040369,5.361819704173137,5.11376348329196,4.877182845678775,4.651542306776554,0.43,0.43,0.43,0.43,0.43,0.43,0.43,0.43,0.43,0.43,0.43,1.36,1.7056020796287557,2.0352148116328186,2.3495855528455167,2.649415715589598,2.9353699752272506,3.208087168959631,3.4681802958268633,3.7162365167080402,3.952817154321225,4.1784576932234465,first
+278,13.64,90,1.0084227658791056e+17,0.89,-0.11653381625595151,154.1,Unknown,Base,0,1.237476378044089,0.8256430012126149,5.03,4.040018897564729,3.0500377951294584,2.060056692694187,1.070075590258916,0.08009448782364448,-0.9098866146116276,-1.8998677170468996,-2.8898488194821734,-3.8798299219174455,-4.869811024352718,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,1.62,2.6099811024352717,3.599962204870543,4.5899433073058145,5.579924409741086,6.569905512176357,7.559886614611629,8.5498677170469,9.539848819482174,10.529829921917447,11.51981102435272,zero
+270,6.96,92,3.395400314021381e+17,4.96,1.601405740736836,31.8,Ring,None,0,0.5392351914546454,0.2921024825320671,7.15,1.4334188546736288,1.1605250852381963,1.0507860486064045,0.9927239669393111,0.9583149645970539,0.9364226261695127,0.9220397759773378,0.9122852893936008,0.9056355707664796,0.9009979847454818,3.13,0.2717094273368141,0.13526254261909781,0.08039302430320189,0.051361983469655204,0.034157482298526574,0.023211313084755953,0.016019887988668487,0.01114264469679998,0.007817785383239404,0.005498992372740501,3.56,6.418290572663184,6.5547374573809005,6.609606975696797,6.638638016530343,6.655842517701472,6.666788686915242,6.67398011201133,6.678857355303198,6.682182214616759,6.684501007627258,third
+275,3.41,90,2.4381505319803354e+17,2.56,0.9400072584914712,173.5,Ring,Base,0,1.9564556238649662,1.5414186002501649,3.32,1.8033129057122672,1.8000212177370132,1.8000001006808324,1.7999985765025017,1.8000012748716088,1.7999996918037344,1.8000039177939058,1.8000002918344509,1.799998975343832,1.800000590832509,0.76,0.001656452856133762,1.06088685067387e-05,5.034041618706012e-08,-7.117487490725334e-07,6.374358044973529e-07,-1.5409813260495033e-07,1.958896953120982e-06,1.459172256154848e-07,-5.123280838451893e-07,2.954162548281683e-07,3.54,4.298343547143865,4.299989391131493,4.299999949659583,4.300000711748748,4.299999362564194,4.300000154098131,4.299998041103046,4.299999854082775,4.300000512328084,4.299999704583745,third
+274,1.61,95,4.826127171966036e+17,4.95,1.599387576580599,44.3,Unknown,None,0,0.3735891837953385,0.18944680830702926,5.78,1.3013777787425678,0.7329458121579286,0.5101197063454272,0.3914175385432801,0.31743628915765865,0.2670086109482731,0.23024212841469724,0.20266181879018927,0.180828299046112,0.1631897656918341,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,4.88,3.54,5.779311110628717,6.063527093921037,6.174940146827287,6.234291230728361,6.271281855421171,6.296495694525864,6.314878935792652,6.328669090604906,6.3395858504769445,6.348405117154083,second
+270,9.4,96,2.715565600457616e+16,2.4,0.8754687373538999,178.7,Unknown,Enzyme,0,0.0072589377771537225,0.006402111145595019,8.77,8.764192849778276,8.758385699556554,8.75257854933483,8.746771399113108,8.740964248891384,8.73515709866966,8.729349948447938,8.723542798226214,8.717735648004492,8.711928497782768,0.58,0.58,0.58,0.58,0.58,0.58,0.58,0.58,0.58,0.58,0.58,2.47,2.475807150221723,2.481614300443446,2.487421450665169,2.493228600886892,2.499035751108615,2.504842901330338,2.510650051552061,2.516457201773784,2.522264351995507,2.5280715022172298,zero
+275,13.08,96,3.975931178766178e+17,3.21,1.1662709371419244,139.8,Linear,Enzyme,0,0.2312822535361314,0.20754879250682765,4.63,4.444974197171095,4.25994839434219,4.0749225915132845,3.8898967886843794,3.7048709858554743,3.5198451830265687,3.334819380197664,3.149793577368759,2.9647677745398533,2.7797419717109486,1.14,1.14,1.14,1.14,1.14,1.14,1.14,1.14,1.14,1.14,1.14,2.5,2.685025802828905,2.8700516056578103,3.0550774084867154,3.2401032113156205,3.4251290141445256,3.610154816973431,3.795180619802336,3.980206422631241,4.165232225460146,4.350258028289051,zero
+280,10.4,91,6.77368497145913e+16,1.56,0.44468582126144574,57.3,Ring,Acid,0,0.7144204202476642,0.41763384130177295,7.95,6.105744648114362,6.0614253329012575,6.060044767048308,6.060001492746683,6.06000007941821,6.059999852401465,6.060002184648357,6.060000668343028,6.059999819481279,6.0600002897772995,1.89,0.045744648114362046,0.0014253329012578486,4.476704830894398e-05,1.4927466838889197e-06,7.941821077179784e-08,-1.475985337811712e-07,2.184648357613061e-06,6.683430285258757e-07,-1.805187206222312e-07,2.897772999258056e-07,4.71,6.554255351885638,6.598574667098743,6.599955232951692,6.599998507253317,6.59999992058179,6.600000147598535,6.599997815351643,6.5999993316569725,6.600000180518721,6.599999710222701,second
+275,2.25,91,1.2018790473940115e+17,2.68,0.9858167945227654,123.5,Linear,Acid,1,0.622757898663799,0.3905589564989769,6.38,4.651345471229585,3.8832522582867357,3.541782000356669,3.390834790748937,3.3222172766719664,3.2930491495741827,3.27883937579207,3.273826936975724,3.270778198361336,3.269528712299343,1.01,1.01,1.01,1.01,1.01,1.01,1.01,1.01,1.01,1.01,1.01,2.1,3.8286545287704143,4.596747741713264,4.938217999643331,5.089165209251062,5.157782723328033,5.186950850425817,5.2011606242079305,5.206173063024276,5.209221801638664,5.210471287700658,first
+280,7.96,97,3.684154551266236e+17,4.76,1.5602476682433286,142.4,Unknown,None,1,0.29519742486543654,0.1814692184978113,1.97,1.3824540610725053,1.3759895373316726,1.374780651924954,1.3754521610297732,1.3770422407934153,1.3770703341212662,1.375408736853802,1.375294866242256,1.3770202095232447,1.377037193078871,3.09,3.09,3.09,3.09,3.09,3.09,3.09,3.09,3.09,3.09,3.09,4.04,4.235848646309165,4.238003487556109,4.238406449358348,4.238182612990076,4.237652586402195,4.237643221959578,4.2381970877154,4.238235044585916,4.2376599301589195,4.237654268973711,third
+280,2.23,94,3.4188738519020896e+17,2.97,1.0885619528146082,82.2,Branched,Enzyme,0,0.9938821047693037,0.7108009128976783,5.73,0.4574624356642273,0.3239406098013618,0.26472749042264476,0.22912911792451082,0.20514261564713382,0.1871673123682138,0.1732785371667018,0.16219651649776917,0.15292824473935565,0.1450504923058004,3.42,3.42,3.42,3.42,3.42,3.42,3.42,3.42,3.42,3.42,3.42,0.83,2.5875125214452575,2.6320197967328793,2.651757503192452,2.6636236273584966,2.671619128117622,2.677610895877262,2.6822404876110997,2.685934494500744,2.6890239184202147,2.6916498358980667,third
+277,12.55,93,4.1740620077937235e+17,2.74,1.007957920399979,72.3,Unknown,Enzyme,0,1.209661042331256,0.9767921018069137,6.99,0.414985438902789,0.29391982720253973,0.23993048345890738,0.2078231824106485,0.18589027353475251,0.16979221991951277,0.1571022314863186,0.146954284746255,0.1386282948738483,0.1315384143890394,0.52,0.52,0.52,0.52,0.52,0.52,0.52,0.52,0.52,0.52,0.52,2.61,4.801671520365738,4.84202672426582,4.860023172180364,4.870725605863118,4.878036575488417,4.883402593360162,4.887632589504561,4.891015238417915,4.893790568375384,4.896153861870321,third
+277,9.39,94,3.3932241962268685e+17,4.11,1.4134230285081433,43.4,Unknown,None,1,0.6369976566320069,0.36001804254014913,7.62,5.779907542409374,4.954185063055485,4.5819876187586335,4.413420865746472,4.337401405467149,4.30391646386529,4.287978355696315,4.281043726255035,4.278641087120724,4.276846256928837,2.39,2.39,2.39,2.39,2.39,2.39,2.39,2.39,2.39,2.39,2.39,4.22,6.060092457590626,6.885814936944515,7.258012381241366,7.426579134253528,7.502598594532851,7.53608353613471,7.552021644303685,7.558956273744965,7.5613589128792755,7.563153743071163,first
+272,7.71,95,1.7769207412067597e+17,2.7,0.9932517730102834,51.7,Linear,Acid,1,0.10122620793495403,0.08867909773044481,4.45,1.776508618530865,1.6560763419569695,1.6415240994950118,1.639325600877937,1.6388258028248508,1.6397155434216886,1.63652532961916,1.6418796573028378,1.6372359942146357,1.6422144135173107,2.76,2.76,2.76,2.76,2.76,2.76,2.76,2.76,2.76,2.76,2.76,4.09,4.981163793823045,5.021307886014343,5.026158633501662,5.026891466374021,5.02705806572505,5.026761485526103,5.027824890126946,5.026040114232387,5.0275880019284545,5.025928528827563,third
+276,11.52,95,5.234716834208694e+16,2.65,0.9745596399981308,102.2,Ring,Acid,0,0.054818776510536654,0.036909155538101035,4.79,3.3736743027619474,2.61519807365754,2.128546397329928,1.7939129646651184,1.5502348982371918,1.366642928617651,1.2204776776126915,1.1024256532295185,1.0055777175965002,0.9243281209005847,1.67,1.67,1.67,1.67,1.67,1.67,1.67,1.67,1.67,1.67,1.67,2.87,3.5781628486190264,3.95740096317123,4.200726801335036,4.368043517667441,4.489882550881404,4.581678535691174,4.654761161193655,4.713787173385241,4.7622111412017505,4.802835939549707,second
+280,8.8,99,6.251139479918068e+16,2.57,0.9439058989071284,197.5,Branched,Acid,1,0.021213672815772584,0.012231936315462268,7.53,6.480355858071504,6.081557875890029,5.895346173499202,5.800220617716228,5.749880611202255,5.7224494201115315,5.707379400324185,5.699075011086786,5.694466676143679,5.691888515939894,0.99,0.4651779290357519,0.26577893794501434,0.17267308674960075,0.12511030885811353,0.09994030560112725,0.08622471005576544,0.0786897001620918,0.07453750554339288,0.072233338071839,0.07094425796994619,2.97,3.4948220709642484,3.694221062054986,3.7873269132503995,3.8348896911418864,3.8600596943988728,3.8737752899442346,3.881310299837908,3.885462494456607,3.887766661928161,3.8890557420300533,third
+271,7.8,98,2.703425177095844e+17,3.31,1.1969481893889715,150.6,Linear,Enzyme,0,0.03482993918887119,0.028213630118116326,1.39,1.2083519523041206,1.0837425306642827,0.9904883998279552,0.9183032278996576,0.8605449988701844,0.8119895509736232,0.7705863948077023,0.7350046362786837,0.7039821235893107,0.6765502887182688,4.84,4.84,4.84,4.84,4.84,4.84,4.84,4.84,4.84,4.84,4.84,0.69,0.7505493492319597,0.7920858231119056,0.8231705333906815,0.8472322573667807,0.866485000376605,0.8826701496754588,0.8964712017307658,0.9083317879071053,0.9186726254702295,0.9278165704272435,third
+271,3.8,94,1.4536804689758406e+17,2.05,0.7178397931503168,96.9,Linear,Base,1,0.11054170528004371,0.08986730771891871,9.6,8.82224131448278,8.159356255079377,7.594756923615799,7.114256707794679,6.705131743570696,6.356214264390096,6.0587763880745,5.805582011046147,5.590096421196917,5.406488492552195,3.32,3.32,3.32,3.32,3.32,3.32,3.32,3.32,3.32,3.32,3.32,0.1,0.877758685517221,1.5406437449206227,2.105243076384201,2.585743292205321,2.9948682564293034,3.343785735609904,3.6412236119255,3.894417988953853,4.109903578803083,4.293511507447805,first
+277,12.65,93,2.5856908068489018e+17,2.53,0.9282193027394288,30.1,Branched,Base,0,0.7493442672195589,0.3951250754769324,6.69,4.14345580679446,4.003580404188051,3.9912434750183787,3.9901139807438684,3.9900107050474456,3.9900009645718284,3.9900000714684114,3.990000292030745,3.9899993105136513,3.9900006932026697,2.7,0.15345580679445908,0.01358040418805153,0.00124347501837884,0.00011398074386841393,1.0705047445924522e-05,9.645718283922704e-07,7.146841181188886e-08,2.9203074557275844e-07,-6.894863482624916e-07,6.932026697855425e-07,0.23,2.7765441932055412,2.9164195958119485,2.928756524981621,2.9298860192561316,2.9299892949525543,2.9299990354281715,2.9299999285315885,2.929999707969255,2.9300006894863486,2.9299993067973302,second
+278,2.14,100,2.3409107694098205e+17,0.98,-0.020202707317519466,167.4,Unknown,Base,0,0.03795485952427119,0.027250170924851446,7.71,5.257489046212193,3.9965813200877727,3.2193695694473057,2.691850424423353,2.3163253248555407,2.0319509333826073,1.8082013141802007,1.6302257052368718,1.4849471710250453,1.3623546098262307,4.62,4.62,4.62,4.62,4.62,4.62,4.62,4.62,4.62,4.62,4.62,3.73,4.9562554768939036,5.586709339956114,5.975315215276347,6.239074787788323,6.42683733757223,6.5690245333086965,6.6808993429099,6.7698871473815645,6.842526414487478,6.903822695086884,second
+280,11.68,99,2.985585970789244e+17,1.22,0.19885085874516517,175.5,Branched,Base,0,0.10131791835896439,0.059855498073066886,6.53,6.448945665312829,6.367891330625658,6.2868369959384856,6.205782661251314,6.124728326564143,6.043673991876971,5.9626196571898,5.881565322502628,5.800510987815456,5.719456653128285,1.76,1.76,1.76,1.76,1.76,1.76,1.76,1.76,1.76,1.76,1.76,2.11,2.1910543346871716,2.2721086693743433,2.353163004061515,2.4342173387486863,2.515271673435858,2.5963260081230297,2.677380342810201,2.7584346774973727,2.8394890121845444,2.9205433468717157,zero
+270,5.83,98,3.8810335714283744e+17,3.28,1.1878434223960523,120.9,Branched,Base,1,0.042562089508124665,0.02218750420669493,5.65,4.219045149220792,3.454565172230664,2.974317211846164,2.6613575693347995,2.4463765900438332,2.2973658525680514,2.1887254315533737,2.1091488673749694,2.051500223415642,2.0087243779201023,3.67,3.67,3.67,3.67,3.67,3.67,3.67,3.67,3.67,3.67,3.67,4.86,5.575477425389606,5.9577174138846685,6.197841394076919,6.354321215332601,6.461811704978085,6.536317073715975,6.590637284223314,6.630425566312517,6.65924988829218,6.68063781103995,second
+278,10.64,94,5.6518491206587736e+16,2.32,0.8415671856782185,43.4,Branched,Enzyme,0,0.1228796983686702,0.09396246676240697,8.68,7.867321072204719,7.13073281966639,6.462962180328706,5.857374253821068,5.308538911905163,4.811376637357608,4.3611072161580555,3.9532497374891977,3.5836225937367625,3.248343480489512,0.61,0.61,0.61,0.61,0.61,0.61,0.61,0.61,0.61,0.61,0.61,4.39,4.39,4.39,4.39,4.39,4.39,4.39,4.39,4.39,4.39,4.39,first
+280,2.8,98,2.2023779830563296e+17,1.66,0.5068176023684519,155.1,Branched,Enzyme,1,0.11484380082449039,0.08057901309527533,9.95,2.705218036786368,2.2941875180884326,2.1869640377262964,2.1536029216971584,2.1429196492841744,2.139787895641689,2.1382131793680372,2.1381821453491905,2.1379613756459968,2.1378523311510795,4.71,1.0876090183931844,0.8820937590442166,0.8284820188631485,0.8118014608485793,0.8064598246420875,0.8048939478208446,0.8041065896840186,0.8040910726745953,0.8039806878229984,0.8039261655755399,1.33,4.952390981606816,5.157906240955783,5.211517981136851,5.22819853915142,5.233540175357913,5.235106052179155,5.235893410315981,5.235908927325404,5.236019312177001,5.2360738344244595,third
+276,13.1,93,2.4993500183689802e+17,1.93,0.6575200029167941,25.8,Branched,Acid,0,0.6257325971176836,0.5046233612792496,8.28,3.820818696990165,3.820000464061093,3.81999844484991,3.8199992793759256,3.8200012215408083,3.8200020527738205,3.8199998393391326,3.819998713119417,3.819999686377891,3.8200007769068027,2.23,0.00040934849508303525,2.3203054656128163e-07,-7.775750448529056e-07,-3.6031203682433416e-07,6.107704042382335e-07,1.0263869102321872e-06,-8.033043379445069e-08,-6.43440291338623e-07,-1.568110542576147e-07,3.8845340163927357e-07,2.41,4.639590651504917,4.639999767969454,4.640000777575045,4.640000360312037,4.639999389229596,4.63999897361309,4.640000080330434,4.640000643440292,4.6400001568110545,4.639999611546599,third
+279,5.06,99,1.1200309033346192e+17,1.95,0.6678293725756554,58.6,Unknown,Base,0,0.03263535337062514,0.021077599922846392,2.04,1.987428366180748,1.9362115259745654,1.8863145642322539,1.8377034073713845,1.7903449656428452,1.74420701819606,1.69925812130106,1.6554676083484827,1.612805589849573,1.571242953436182,2.47,2.47,2.47,2.47,2.47,2.47,2.47,2.47,2.47,2.47,2.47,2.61,2.662571633819252,2.7137884740254345,2.763685435767746,2.8122965926286154,2.8596550343571545,2.90579298180394,2.9507418786989397,2.994532391651517,3.037194410150427,3.0787570465638177,first
+277,6.66,92,4.8991601601572256e+17,3.4,1.2237754316221157,55.2,Branched,None,0,2.191825389900232,1.7040960839890715,8.44,1.462543142381876,0.25360756346566754,0.04395907488699394,0.007625739811232289,0.0013241655002715303,0.0002300510754020081,3.977512142207741e-05,6.8043255295291304e-06,1.0935327627628623e-06,3.313430842994426e-07,1.4,1.4,1.4,1.4,1.4,1.4,1.4,1.4,1.4,1.4,1.4,0.65,7.627456857618124,8.836392436534332,9.046040925113005,9.082374260188766,9.088675834499728,9.089769948924598,9.089960224878578,9.08999319567447,9.089998906467237,9.089999668656915,first
+273,13.47,92,1.1255110406159022e+17,2.91,1.0681530811834012,81.7,Unknown,Enzyme,0,0.2804346337084155,0.15000724142824304,3.36,1.5230830291082138,0.8799397235055619,0.5630861922678478,0.3804897167605266,0.2651455501903576,0.18908358198680011,0.1365124755331017,0.0996187504182366,0.07326198009009863,0.0540800736180983,4.65,2.813083029108214,2.1699397235055624,1.8530861922678483,1.670489716760527,1.5551455501903582,1.4790835819868007,1.4265124755331022,1.3896187504182371,1.3632619800900994,1.3440800736180991,1.56,3.3969169708917866,4.040060276494438,4.356913807732152,4.539510283239473,4.654854449809642,4.7309164180132,4.7834875244668975,4.820381249581763,4.846738019909901,4.865919926381901,second
+277,7.33,100,1.714602599142218e+17,0.81,-0.21072103131565253,194.3,Unknown,Enzyme,1,0.02377998889081738,0.01632595985773128,1.5,1.4268825762553545,1.3762627148979447,1.3400386113528353,1.313463504532401,1.2944380409669332,1.2808245990328269,1.2703029955288654,1.2621430004389584,1.2560404758736392,1.2514510212604588,2.66,2.66,2.66,2.66,2.66,2.66,2.66,2.66,2.66,2.66,2.66,2.67,2.6943724745815487,2.711245761700685,2.723320462882388,2.732178831822533,2.7385206530110224,2.7430584669890576,2.746565668157045,2.7492856665203473,2.751319841375454,2.7528496595798475,third
+274,1.31,97,2.2129530211717066e+17,3.29,1.1908875647772805,134.6,Ring,Enzyme,1,0.0711998717826436,0.058506757423194805,8.77,7.8249874671317805,7.803366649740837,7.802747669041003,7.802736962700696,7.802695624275659,7.802730332643433,7.802753638838219,7.802768255601417,7.802786224716203,7.802770056147458,0.51,0.03749373356589027,0.02668332487041837,0.02637383452050112,0.02636848135034784,0.026347812137829198,0.026365166321716614,0.026376819419109732,0.02638412780070872,0.026393112358101965,0.02638502807372946,1.47,1.9425062664341097,1.9533166751295816,1.953626165479499,1.9536315186496522,1.9536521878621709,1.9536348336782834,1.9536231805808904,1.9536158721992913,1.9536068876418982,1.9536149719262705,third
+275,8.83,100,2.835982493935151e+17,0.9,-0.10536051565782628,127.4,Branched,Base,1,0.028681573584949053,0.02320145971542194,8.73,8.420648442209922,8.179736874628885,7.989450441823676,7.838652793928928,7.718867850432899,7.622540797620666,7.543863601371298,7.480027039115308,7.428200202586489,7.3859306709190875,1.95,1.6406484422099206,1.3997368746288836,1.2094504418236756,1.058652793928927,0.938867850432898,0.8425407976206657,0.7638636013712973,0.7000270391153074,0.648200202586489,0.6059306709190867,2.13,2.4393515577900797,2.6802631253711167,2.8705495581763247,3.0213472060710735,3.1411321495671025,3.2374592023793345,3.316136398628703,3.379972960884693,3.4317997974135115,3.4740693290809137,second
+280,5.72,97,4.791555031084292e+17,4.33,1.4655675420143985,121.4,Ring,None,1,0.3839292533997969,0.27005009495545296,8.14,6.226870095338752,5.0928273588275665,4.421052082840278,4.023380512351982,3.787085458244878,3.647391559562652,3.5649365054941837,3.515024092337636,3.4868551380275807,3.469494287235806,4.59,4.59,4.59,4.59,4.59,4.59,4.59,4.59,4.59,4.59,4.59,0.2,2.113129904661248,3.247172641172434,3.9189479171597226,4.316619487648019,4.552914541755123,4.692608440437349,4.775063494505817,4.824975907662364,4.85314486197242,4.870505712764194,first
+271,6.91,92,2.406319564650718e+17,4.75,1.55814461804655,90.5,Unknown,Enzyme,1,0.4445492969904241,0.315296892629983,5.72,4.692062793181504,4.133354704451104,3.8291212288397927,3.662945714724853,3.5730911198194484,3.5237909138007506,3.4966840617846624,3.4829554127441855,3.474653616078801,3.470225167234194,2.56,2.56,2.56,2.56,2.56,2.56,2.56,2.56,2.56,2.56,2.56,2.63,3.657937206818495,4.216645295548895,4.520878771160207,4.687054285275147,4.776908880180552,4.82620908619925,4.853315938215338,4.867044587255815,4.8753463839212,4.879774832765806,first
+279,11.66,91,2.2832614872676298e+17,3.74,1.3190856114264407,29.8,Linear,None,0,2.0933194830392945,1.32324455898466,6.32,0.31578398142357367,0.22345089430481316,0.18252129184799634,0.15795718106517914,0.1414019440959246,0.12902075602017193,0.11942441594749047,0.11177732829797732,0.10540372258459328,0.09997132924175477,0.29,0.29,0.29,0.29,0.29,0.29,0.29,0.29,0.29,0.29,0.29,1.28,3.2814053395254756,3.312183035231729,3.325826236050668,3.334014272978274,3.339532685301359,3.343659747993277,3.346858528017504,3.349407557234008,3.351532092471803,3.3533428902527493,third
+276,6.93,98,2.0598435360566304e+17,1.04,0.03922071315328133,199.3,Ring,Acid,1,0.05835553366669348,0.029661466075450355,1.76,1.4592462339118284,1.237925369238587,1.0710357634266647,0.9443090819635636,0.8469968848305741,0.7702733562654361,0.7097210932022967,0.6621456792545889,0.6245710162169316,0.5944249879195876,4.87,4.569246233911829,4.347925369238587,4.181035763426665,4.054309081963564,3.9569968848305743,3.8802733562654366,3.819721093202297,3.772145679254589,3.7345710162169317,3.704424987919588,2.03,2.3307537660881716,2.552074630761413,2.7189642365733353,2.8456909180364365,2.943003115169426,3.019726643734564,3.0802789067977034,3.1278543207454113,3.1654289837830687,3.1955750120804125,second
+270,6.54,92,1.8531378649441888e+17,3.79,1.332366019094335,24.9,Linear,None,0,0.2943031922535011,0.21799533581626213,2.74,2.165189475751582,1.7109935404881726,1.351135146058276,1.0670420864195835,0.8438845051133075,0.6679877942608885,0.5278290452397555,0.41696680725393453,0.3296277813157452,0.2606404561490231,1.48,1.48,1.48,1.48,1.48,1.48,1.48,1.48,1.48,1.48,1.48,2.43,2.43,2.43,2.43,2.43,2.43,2.43,2.43,2.43,2.43,2.43,first
+273,13.84,96,3.263960345531995e+17,4.93,1.5953389880545987,158.6,Linear,Base,1,0.1395906757339123,0.091528980057483,3.44,2.2783165103247125,1.901256596355061,1.7537300086959158,1.6904889683936792,1.6636471163283304,1.6511570610459425,1.6461587078391966,1.6432564361669475,1.642613668854383,1.642086033726392,3.05,3.05,3.05,3.05,3.05,3.05,3.05,3.05,3.05,3.05,3.05,3.21,3.790841744837643,3.979371701822469,4.053134995652042,4.08475551580316,4.098176441835834,4.104421469477027,4.1069206460804,4.108371781916524,4.108693165572807,4.108956983136802,second
+278,9.79,95,2.7699360679429408e+17,3.82,1.3402504226184837,160.1,Linear,Base,0,0.39071325744138685,0.24887249501888375,5.51,4.03086105976911,2.948534085201616,2.155335124458599,1.5780299709062584,1.1555417157912986,0.8446636581575453,0.6183232469609026,0.45287140023920547,0.33127193701980906,0.24239096479694128,1.57,1.57,1.57,1.57,1.57,1.57,1.57,1.57,1.57,1.57,1.57,4.33,5.8091389402308895,6.891465914798384,7.684664875541401,8.261970029093742,8.6844582842087,8.995336341842455,9.221676753039096,9.387128599760795,9.50872806298019,9.597609035203059,first
+276,7.82,93,2.0447031332781264e+17,1.51,0.412109650826833,180.8,Unknown,None,1,0.5119080531008295,0.3555012938170075,4.33,1.00603520221667,0.9754831446370258,0.9741734263882902,0.9733452516859613,0.974418687004782,0.974135466630115,0.9737720068454938,0.9733409220452183,0.9734606744466212,0.9748898969461097,3.41,1.7480176011083346,1.7327415723185127,1.7320867131941449,1.7316726258429802,1.7322093435023906,1.7320677333150571,1.7318860034227466,1.731670461022609,1.7317303372233104,1.7324449484730546,0.69,2.3519823988916655,2.3672584276814876,2.367913286805855,2.36832737415702,2.36779065649761,2.367932266684943,2.3681139965772537,2.3683295389773917,2.36826966277669,2.367555051526946,third
+275,2.96,94,1.0102456868860205e+17,1.87,0.6259384308664954,55.4,Ring,Base,0,0.14093941621961736,0.09421677199994757,5.87,4.413241631793873,3.7155549607047593,3.319169463776478,3.0729203356413786,2.908983277448554,2.7970245450007187,2.7177487602360237,2.6608167143795183,2.61962492517536,2.5892016930172495,3.37,1.9132416317938736,1.2155549607047595,0.8191694637764781,0.5729203356413783,0.4089832774485542,0.29702454500071906,0.21774876023602374,0.1608167143795182,0.11962492517536008,0.0892016930172498,1.32,2.7767583682061265,3.4744450392952406,3.8708305362235222,4.117079664358622,4.281016722551446,4.392975454999282,4.472251239763977,4.529183285620483,4.57037507482464,4.6007983069827505,second
+277,3.83,95,3.086626206969054e+17,4.76,1.5602476682433286,111.3,Ring,Enzyme,0,0.37534427872849074,0.24539117522836035,7.42,0.7427506704078093,0.5264156419009152,0.43016873542678274,0.3729808605258462,0.3334349806185351,0.3045213268962165,0.2820879161903227,0.26380182461646556,0.24868618041521548,0.23590050287541597,3.32,3.32,3.32,3.32,3.32,3.32,3.32,3.32,3.32,3.32,3.32,4.67,6.89574977653073,6.967861452699695,6.999943754857739,7.0190063798247175,7.032188339793821,7.041826224367927,7.049304027936559,7.055399391794511,7.060437939861595,7.0646998323748615,third
+270,6.68,99,4.734553406836932e+16,1.25,0.22314355131420976,76.0,Linear,Acid,0,0.0033257220063619363,0.0021074399250377673,8.67,8.66733942239491,8.66467884478982,8.662018267184731,8.659357689579641,8.656697111974552,8.654036534369462,8.651375956764372,8.648715379159283,8.646054801554193,8.643394223949104,1.05,1.05,1.05,1.05,1.05,1.05,1.05,1.05,1.05,1.05,1.05,1.11,1.1126605776050897,1.1153211552101792,1.1179817328152688,1.1206423104203582,1.1233028880254479,1.1259634656305375,1.128624043235627,1.1312846208407166,1.1339451984458062,1.1366057760508956,zero
+272,2.94,91,2.582554604765294e+16,0.84,-0.1743533871447778,103.1,Ring,Enzyme,0,0.08626976963503119,0.06809303547923676,2.81,1.2454727883926506,0.8350794758956248,0.6358229292387915,0.5158534286047537,0.43575634850076317,0.37755064559940354,0.3333677863274681,0.2990188601019924,0.2711175650029305,0.24796863472550412,3.77,2.9877363941963253,2.7825397379478125,2.6829114646193957,2.622926714302377,2.5828781742503812,2.5537753227997015,2.531683893163734,2.514509430050996,2.5005587825014652,2.4889843173627524,4.38,5.162263605803675,5.367460262052187,5.467088535380604,5.5270732856976235,5.567121825749618,5.596224677200299,5.618316106836266,5.635490569949004,5.649441217498535,5.661015682637249,third
+273,6.06,93,9.96341589935163e+16,3.5,1.252762968495368,101.7,Unknown,Enzyme,1,0.15978925047868514,0.08667563073509821,9.35,8.510029093343473,7.820379171209472,7.252650746833402,6.786483937162734,6.4054930651024025,6.094297033750505,5.8385193263983055,5.626934803678918,5.453223096538861,5.31062394803175,2.35,2.35,2.35,2.35,2.35,2.35,2.35,2.35,2.35,2.35,2.35,3.89,4.729970906656527,5.419620828790528,5.987349253166598,6.4535160628372665,6.834506934897598,7.1457029662494955,7.401480673601695,7.613065196321082,7.786776903461139,7.929376051968251,first
+280,11.06,93,3.9630299267271066e+17,2.06,0.7227059828014898,55.5,Ring,Enzyme,0,1.7702645383173803,1.4956603845700878,5.34,0.13883883983575412,0.07283719689691878,0.04952025806129545,0.037562325470961076,0.030266422353608276,0.025341508908845276,0.021792152642435527,0.019141655526909322,0.017046918785057825,0.015364428178358877,4.93,2.3294194199178766,2.296418598448459,2.2847601290306474,2.27878116273548,2.275133211176804,2.2726707544544222,2.2708960763212174,2.269570827763454,2.2685234593925285,2.267682214089179,4.28,6.880580580082122,6.913581401551539,6.925239870969351,6.9312188372645185,6.934866788823195,6.937329245545576,6.939103923678781,6.940429172236544,6.94147654060747,6.942317785910819,third
+271,3.58,90,3.9502013595589414e+17,2.39,0.8712933659434193,69.0,Linear,Enzyme,0,1.7729450726237421,1.532658913905579,1.96,0.21463803548028693,0.12011106840029809,0.083920459312189,0.0646131846138,0.05266719807434246,0.044395475730961316,0.038435027640608466,0.03389213785574714,0.030292434622611705,0.027388157689033348,2.2,1.3273190177401437,1.2800555342001494,1.2619602296560948,1.2523065923069001,1.2463335990371713,1.242197737865481,1.2392175138203045,1.2369460689278737,1.2351462173113061,1.2336940788445168,1.81,2.6826809822598565,2.7299444657998513,2.7480397703439055,2.7576934076931,2.763666400962829,2.7678022621345195,2.770782486179696,2.7730539310721265,2.774853782688694,2.7763059211554832,third
+270,11.83,90,2.659331784598269e+17,3.33,1.2029723039923526,52.2,Unknown,Enzyme,0,1.0294304279199735,0.5540304836095138,3.73,0.4478321101770134,0.31754999738840983,0.2596680832837365,0.2250370021247943,0.20132793004438845,0.18376460244403484,0.17027528379390938,0.15929033231593542,0.15015604678713038,0.14243234889584683,4.37,4.37,4.37,4.37,4.37,4.37,4.37,4.37,4.37,4.37,4.37,2.24,3.3340559632743294,3.377483334203864,3.3967773055720882,3.408320999291736,3.4162240233185375,3.422078465851989,3.4265749054020307,3.4302365558946883,3.4332813177376234,3.4358558837013846,third
+277,12.96,94,8.199221278412003e+16,2.66,0.9783261227936078,36.3,Linear,None,0,0.15392100369799835,0.08681317586756725,2.21,1.9539545208430262,1.727575459176482,1.5272556966096862,1.3498568232841122,1.1930690473833419,1.0547103581612405,0.9327053873324389,0.8250854090723331,0.7299883400170845,0.6456587392636197,2.08,2.08,2.08,2.08,2.08,2.08,2.08,2.08,2.08,2.08,2.08,2.43,2.43,2.43,2.43,2.43,2.43,2.43,2.43,2.43,2.43,2.43,first
+275,1.14,100,1.0337672832233794e+17,2.34,0.85015092936961,125.0,Linear,Acid,0,0.010454956074972942,0.007576623617358985,2.36,2.283658400326822,2.2111617238326775,2.1422285524037528,2.0766115197415265,2.014087041465958,1.95444731383169,1.8975003137280433,1.84306979867902,1.7909953068433029,1.7411321570142548,3.97,3.893658400326822,3.821161723832678,3.752228552403753,3.686611519741527,3.6240870414659585,3.5644473138316903,3.507500313728044,3.4530697986790204,3.400995306843303,3.351132157014255,0.31,0.3863415996731776,0.45883827616732237,0.527771447596247,0.5933884802584735,0.6559129585340414,0.7155526861683097,0.7724996862719564,0.8269302013209797,0.8790046931566968,0.9288678429857449,second
+280,11.15,97,3.173302704111557e+17,1.6,0.47000362924573563,115.5,Branched,Enzyme,0,0.2542647908867718,0.15386247947886733,5.42,5.216588167290582,5.013176334581165,4.809764501871747,4.606352669162329,4.402940836452912,4.1995290037434945,3.996117171034077,3.7927053383246596,3.589293505615242,3.385881672905825,4.43,4.43,4.43,4.43,4.43,4.43,4.43,4.43,4.43,4.43,4.43,1.25,1.4534118327094174,1.6568236654188349,1.8602354981282523,2.0636473308376697,2.267059163547087,2.4704709962565046,2.6738828289659224,2.8772946616753394,3.0807064943847573,3.2841183270941743,zero
+273,7.57,94,2.471950811459802e+17,2.57,0.9439058989071284,130.5,Unknown,None,0,0.25517406773207496,0.13190399685339388,3.77,1.1385542878923873,0.7648498285275277,0.5928691511420441,0.49074140823033346,0.4214214764561566,0.3712528461636256,0.3323193248941551,0.30158423587255284,0.2766770637547026,0.25573988663417363,2.48,1.1642771439461936,0.9774249142637638,0.8914345755710219,0.8403707041151667,0.8057107382280783,0.7806264230818127,0.7611596624470776,0.7457921179362763,0.7333385318773512,0.7228699433170868,1.72,3.035722856053807,3.2225750857362367,3.308565424428979,3.359629295884834,3.394289261771922,3.4193735769181877,3.438840337552923,3.454207882063724,3.466661468122649,3.4771300566829133,third
+274,4.26,100,2.897026847696627e+17,4.92,1.5933085305042167,39.1,Unknown,Base,0,0.024976223066417922,0.01426484938925959,6.62,6.4890386466125936,6.360668060987295,6.234836990950994,6.11149516988458,5.990593352591016,5.8720833263940815,5.755917787927314,5.642050340318709,5.530435493190721,5.421028662660264,1.81,1.81,1.81,1.81,1.81,1.81,1.81,1.81,1.81,1.81,1.81,1.41,1.41,1.41,1.41,1.41,1.41,1.41,1.41,1.41,1.41,1.41,first
+278,7.8,98,1.0266811383807494e+17,2.12,0.7514160886839212,62.6,Ring,None,0,0.039547629939813055,0.034738045934857326,8.75,8.71836189604815,8.686723792096299,8.65508568814445,8.623447584192599,8.591809480240748,8.560171376288897,8.528533272337047,8.496895168385196,8.465257064433345,8.433618960481496,0.54,0.54,0.54,0.54,0.54,0.54,0.54,0.54,0.54,0.54,0.54,0.22,0.25163810395185043,0.28327620790370095,0.31491431185555135,0.34655241580740176,0.3781905197592522,0.40982862371110274,0.44146672766295325,0.47310483161480377,0.5047429355666543,0.5363810395185048,zero
+272,12.31,100,7.5311463501147e+16,2.96,1.085189268335969,134.4,Linear,Acid,0,0.004701708831627123,0.0027959338318302653,7.42,4.978460105381579,3.9886381514891864,3.421454147596667,3.0465540937556046,2.769497026328135,2.5586291226208493,2.389625949452758,2.2490502465867404,2.130785851341555,2.029388861804766,3.16,3.16,3.16,3.16,3.16,3.16,3.16,3.16,3.16,3.16,3.16,4.92,5.733846631539474,6.0637872828369375,6.2528486174677775,6.377815302081466,6.470167657890622,6.5404569591263835,6.596791350182414,6.64364991780442,6.6830713828861485,6.7168703793984115,third
+278,6.47,98,4.660925500839255e+17,4.11,1.4134230285081433,60.6,Unknown,None,0,0.1795382714198355,0.10988997973235229,9.48,2.552297243476263,1.4737415667847555,1.036659640750437,0.8001186807326894,0.6503937433782446,0.5488618922677206,0.47408374245483265,0.4173140924372737,0.37310512083951786,0.3371186816885947,3.51,3.51,3.51,3.51,3.51,3.51,3.51,3.51,3.51,3.51,3.51,1.4,4.863851378261868,5.403129216607622,5.621670179624782,5.739940659633655,5.814803128310878,5.86556905386614,5.9029581287725845,5.931342953781364,5.953447439580241,5.971440659155704,second
+276,4.87,92,2.888367479123566e+17,3.43,1.2325602611778486,124.0,Ring,None,0,1.1180904117511155,0.6974717603114541,5.49,0.4313879988168502,0.3054143726104905,0.2496000591921353,0.2160381171007906,0.1934183789476991,0.17645906143926507,0.1633817362497612,0.15293404962526688,0.14418050134188332,0.1367537172305451,2.99,2.99,2.99,2.99,2.99,2.99,2.99,2.99,2.99,2.99,2.99,1.04,2.726204000394383,2.768195209129836,2.7867999802692878,2.797987294299736,2.805527207017433,2.811180312853578,2.815539421250079,2.819021983458244,2.8219398328860383,2.8244154275898175,third
+273,4.87,99,2.4702895750409636e+16,2.81,1.0331844833456545,153.8,Ring,Base,0,0.0028172905395036484,0.002011077608845534,2.66,2.600900410903458,2.5452074489838137,2.4926071031075514,2.4428216623533268,2.3956130843723114,2.3507714264537745,2.308105565441497,2.2674431977337703,2.228630839283397,2.1915338255976913,1.91,1.880450205451729,1.8526037244919067,1.8263035515537756,1.8014108311766632,1.7778065421861555,1.755385713226887,1.7340527827207484,1.713721598866885,1.6943154196416983,1.6757669127988455,4.87,4.899549794548271,4.927396275508094,4.953696448446225,4.978589168823337,5.002193457813845,5.024614286773113,5.045947217279252,5.066278401133116,5.0856845803583015,5.1042330872011545,third
+270,7.54,98,2.8347821335286173e+17,4.06,1.4011829736136412,114.9,Unknown,None,1,0.0310881750138719,0.025179382546043377,1.27,1.2584176859867693,1.2473451805317506,1.2367600469111262,1.226640787490484,1.2169668524816573,1.2077187711509465,1.1988778469534185,1.1904261353008816,1.1823464435618856,1.1746223310617225,1.08,1.08,1.08,1.08,1.08,1.08,1.08,1.08,1.08,1.08,1.08,0.98,0.9915823140132306,1.0026548194682494,1.0132399530888738,1.023359212509516,1.0330331475183427,1.0422812288490535,1.0511221530465815,1.0595738646991184,1.0676535564381144,1.0753776689382775,first
+279,10.92,92,2.9927489216917005e+17,4.73,1.5539252025038417,26.2,Ring,None,0,1.7828813969129524,1.310514470286402,6.5,0.3421856274849452,0.24205518850294178,0.19776868179630996,0.17115536810756493,0.1532204263032609,0.13977622314691424,0.12941735147775296,0.12113791550486792,0.11419799669278731,0.10831375983464672,3.37,3.37,3.37,3.37,3.37,3.37,3.37,3.37,3.37,3.37,3.37,3.83,5.882604790838352,5.915981603832353,5.930743772734564,5.939614877297479,5.945593191232247,5.950074592284363,5.953527549507416,5.956287361498378,5.958600667769071,5.960562080055118,third
+274,1.69,90,4.395147121916884e+17,2.17,0.7747271675523681,95.4,Unknown,Base,1,3.054852440109799,2.1397408636013275,9.7,4.6890027839150195,4.611232691991093,4.60811909751397,4.608208770220231,4.607640131228632,4.61134604562571,4.615396921175939,4.609309026886479,4.60811418223068,4.6104605814114255,4.59,4.59,4.59,4.59,4.59,4.59,4.59,4.59,4.59,4.59,4.59,1.49,6.50099721608498,6.578767308008906,6.58188090248603,6.5817912297797685,6.582359868771367,6.57865395437429,6.574603078824061,6.58069097311352,6.58188581776932,6.579539418588574,first
+278,13.78,100,3.3057927100929114e+17,4.09,1.4085449700547104,46.0,Branched,None,0,0.05359918010013229,0.03304899863169137,9.49,5.252334138240359,3.624059378232737,2.7675468645780406,2.2371041240018057,1.8789891183174707,1.619092063196045,1.4214006063189362,1.268234513028306,1.1447517786711023,1.0424154365252094,3.47,3.47,3.47,3.47,3.47,3.47,3.47,3.47,3.47,3.47,3.47,4.64,6.75883293087982,7.572970310883631,8.00122656771098,8.266447937999096,8.445505440841265,8.575453968401977,8.674299696840531,8.750882743485846,8.81262411066445,8.863792281737396,second
+280,5.49,97,1.5784773968877334e+17,2.51,0.9202827531436925,109.0,Linear,Acid,1,0.12647744720953855,0.06585846390029866,5.42,4.9204918634161885,4.492030269653143,4.124564831548419,3.8098101235680266,3.5402428314164096,3.309085858977922,3.110598957192592,2.940421433525304,2.7945735465721944,2.669525684206052,3.59,3.59,3.59,3.59,3.59,3.59,3.59,3.59,3.59,3.59,3.59,0.18,0.6795081365838113,1.1079697303468568,1.4754351684515812,1.7901898764319726,2.05975716858359,2.2909141410220775,2.4894010428074074,2.6595785664746954,2.805426453427805,2.9304743157939472,first
+275,9.75,99,4.981734206331671e+17,1.76,0.5653138090500605,66.3,Unknown,None,1,0.0780244987662197,0.055213705573861564,2.06,1.5295593039075817,1.3611486495561949,1.2971671985942042,1.270802925308966,1.2603856393468504,1.2553152600231998,1.2537568205519363,1.2526519459696475,1.252284822488353,1.2523415055980016,2.69,2.4247796519537905,2.340574324778097,2.3085835992971018,2.2954014626544827,2.290192819673425,2.2876576300115996,2.2868784102759676,2.286325972984823,2.2861424112441755,2.286170752799,4.66,4.925220348046209,5.009425675221903,5.041416400702898,5.054598537345517,5.059807180326575,5.0623423699884,5.063121589724032,5.0636740270151765,5.063857588755823,5.063829247200999,third
+271,11.5,92,5.632529208530544e+16,4.56,1.5173226235262947,130.0,Unknown,Base,0,0.10405670704396797,0.07658238423191491,8.16,7.508222830105797,6.908465021897367,6.35638026866847,5.848351534906123,5.38102529116371,4.95122279273474,4.55594007965284,4.1923479766917655,3.8577920933653855,3.5497928239276964,0.2,0.2,0.2,0.2,0.2,0.2,0.2,0.2,0.2,0.2,0.2,0.92,1.5717771698942025,2.171534978102633,2.7236197313315293,3.231648465093877,3.69897470883629,4.12877720726526,4.52405992034716,4.887652023308235,5.2222079066346145,5.530207176072303,first
+280,7.36,93,4.498460449204148e+17,3.63,1.2892326482767593,177.6,Branched,Base,1,2.0094385249384312,1.072025427614545,2.99,1.7953443853086732,1.693399390528237,1.6849243334476132,1.6842080412036977,1.683621367495541,1.6829248771613117,1.6854234225456126,1.6839621149191035,1.68281940210973,1.6846410285255975,0.11,0.11,0.11,0.11,0.11,0.11,0.11,0.11,0.11,0.11,0.11,1.85,3.044655614691327,3.1466006094717636,3.155075666552387,3.1557919587963026,3.1563786325044596,3.157075122838689,3.154576577454388,3.1560378850808966,3.1571805978902705,3.155358971474403,first
+278,8.82,100,1.240236859192466e+17,0.66,-0.4155154439616658,74.0,Linear,Base,1,0.020108846685916688,0.013651950082731686,8.73,5.809877566092645,4.933702379474951,4.503726110289458,4.254810253382334,4.096593565427485,3.99192009768372,3.9193137122095374,3.8690351151677946,3.8331411234900803,3.8071975004292136,2.79,1.3299387830463227,0.8918511897374761,0.6768630551447297,0.5524051266911678,0.4732967827137432,0.42096004884186095,0.38465685610476946,0.3595175575838981,0.3415705617450408,0.32859875021460744,3.55,5.010061216953677,5.448148810262523,5.663136944855269,5.787594873308831,5.866703217286255,5.919039951158137,5.955343143895229,5.9804824424161005,5.9984294382549574,6.011401249785391,third
+274,7.76,99,2.174968955785809e+17,0.85,-0.16251892949777494,163.6,Linear,Acid,1,0.029085167186618525,0.024003672316649047,3.24,2.09429472797501,1.6218951932883927,1.3663072811517487,1.210920749085313,1.1079578683898306,1.0383022832184083,0.9882840351111624,0.9524901886594686,0.9268436404518607,0.9076509690748353,4.25,3.6771473639875047,3.4409475966441962,3.3131536405758744,3.2354603745426562,3.183978934194915,3.1491511416092037,3.124142017555581,3.106245094329734,3.09342182022593,3.083825484537418,1.48,2.0528526360124952,2.2890524033558037,2.4168463594241256,2.4945396254573438,2.546021065805085,2.5808488583907963,2.6058579824444195,2.6237549056702663,2.6365781797740704,2.6461745154625826,third
+276,2.96,92,1.9227495113333606e+17,1.74,0.5538851132264376,67.0,Branched,Base,0,0.7442985729341136,0.4538624546237343,1.59,0.5028264615796887,0.36501494837905074,0.3005082458808448,0.26147750039612166,0.23444012766495528,0.21455743797826485,0.1987981743764654,0.1861015598156845,0.17563604021549467,0.16674343058927163,2.54,2.54,2.54,2.54,2.54,2.54,2.54,2.54,2.54,2.54,2.54,1.66,2.022391179473437,2.068328350540316,2.0898305847063847,2.1028408332012924,2.1118532907783476,2.1184808540072444,2.123733941874511,2.1279661467281046,2.131454653261501,2.1344188564702424,third
+270,10.77,99,2.4101085597704515e+17,0.76,-0.2744368457017603,191.9,Unknown,Enzyme,1,0.016929476523330152,0.011281996881267636,3.62,2.5995416517545458,2.1715393131247893,1.935770801014477,1.791074525789154,1.692393342793359,1.6240713928564263,1.575626235093988,1.5392677306119003,1.5123410031377467,1.4921923167610671,1.34,1.34,1.34,1.34,1.34,1.34,1.34,1.34,1.34,1.34,1.34,3.63,3.970152782748485,4.1128202289584035,4.191409732995175,4.23964182473695,4.272535552402214,4.295309535714526,4.311457921635338,4.323577423129367,4.332552998954085,4.339269227746311,third
+280,10.05,99,1.2395148706417394e+17,3.71,1.3110318766193438,36.6,Ring,None,0,0.04206379173037293,0.025785593882497466,3.21,3.15232346893665,3.1123327487961294,3.084041687720404,3.0639620170938597,3.049437808061642,3.0388563290394557,3.031193227856446,3.0255756845450597,3.021450280554374,3.0184275472712576,0.1,0.07116173446832492,0.05116637439806472,0.037020843860202185,0.026981008546929777,0.019718904030821112,0.014428164519727824,0.010596613928223152,0.007787842272529763,0.005725140277187003,0.004213773635628807,0.29,0.31883826553167505,0.33883362560193525,0.3529791561397978,0.3630189914530702,0.3702810959691789,0.3755718354802722,0.37940338607177687,0.38221215772747025,0.384274859722813,0.3857862263643712,third
+270,3.13,98,2.1447562835177818e+17,1.99,0.688134638736401,92.4,Linear,None,0,0.02352087587807183,0.016923402123817984,1.25,1.164690082756804,1.086868095648296,1.0156568909062305,0.9503042866702475,0.8902191266063103,0.834868841953137,0.7837710350756067,0.7364934794647584,0.6926541197377916,0.6519210716380663,3.8,3.714690082756804,3.6368680956482957,3.5656568909062303,3.5003042866702474,3.4402191266063102,3.384868841953137,3.3337710350756065,3.2864934794647582,3.242654119737791,3.201921071638066,2.57,2.6553099172431955,2.733131904351704,2.8043431090937694,2.8696957133297523,2.9297808733936894,2.9851311580468627,3.036228964924393,3.0835065205352414,3.1273458802622085,3.1680789283619335,second
+280,10.74,91,2.6352628876531898e+17,0.61,-0.4942963218147801,32.5,Linear,Base,0,2.7794112474863337,1.4419807164571197,5.98,0.21798520874047034,0.11091682482304258,0.0743820035187745,0.05590623472953564,0.044844764056006854,0.03738207028899969,0.03210454996961307,0.028094304467585922,0.024977494019097744,0.022485110755730155,3.96,3.96,3.96,3.96,3.96,3.96,3.96,3.96,3.96,3.96,3.96,3.19,6.071007395629766,6.12454158758848,6.142808998240613,6.152046882635233,6.157577617971997,6.161308964855501,6.163947725015194,6.165952847766207,6.167511252990452,6.168757444622135,second
+276,13.18,97,3.210447354990706e+17,0.53,-0.6348782724359695,143.5,Ring,Enzyme,1,0.14062940596466053,0.11311518533111277,9.48,3.281860393444977,2.318685547332496,2.0224745732808307,1.9151232642553881,1.8736561074510565,1.8567322801975807,1.8508424534411754,1.8476571655274145,1.8469383510347097,1.8466119038900064,0.61,0.61,0.61,0.61,0.61,0.61,0.61,0.61,0.61,0.61,0.61,0.42,3.5190698032775116,4.000657226333752,4.148762713359585,4.202438367872307,4.223171946274473,4.231633859901211,4.234578773279414,4.236171417236294,4.236530824482646,4.236694048054998,second
+278,12.47,100,2.91327322318917e+17,1.04,0.03922071315328133,186.6,Branched,Acid,0,0.047234981096627965,0.03597274759139975,6.36,6.01838018472731,5.759567616381073,5.559041573656927,5.402420179964629,5.278716768491286,5.178831599512632,5.097710290610799,5.031968963770234,4.9784632277655705,4.934471867631808,1.64,1.2983801847273098,1.039567616381073,0.8390415736569274,0.6824201799646293,0.5587167684912862,0.45883159951263264,0.3777102906107995,0.3119689637702343,0.2584632277655708,0.2144718676318078,2.04,2.3816198152726904,2.6404323836189274,2.840958426343073,2.997579820035371,3.1212832315087145,3.2211684004873677,3.3022897093892007,3.368031036229766,3.4215367722344294,3.465528132368193,second
+279,6.39,91,2.6992030312789347e+17,4.84,1.5769147207285403,98.0,Linear,None,0,2.474659308871627,2.0530409625188706,7.38,5.400272552902698,3.420545105805396,1.4408176587080939,-0.5389097883892067,-2.5186372354865085,-4.498364682583812,-6.478092129681112,-8.45781957677841,-10.437547023875712,-12.417274470973013,0.72,0.72,0.72,0.72,0.72,0.72,0.72,0.72,0.72,0.72,0.72,2.03,4.009727447097301,5.989454894194603,7.969182341291905,9.948909788389205,11.928637235486509,13.908364682583812,15.888092129681112,17.86781957677841,19.847547023875713,21.827274470973013,zero
+278,3.7,97,2.7296848016768246e+17,2.06,0.7227059828014898,159.7,Unknown,None,0,0.16206847835700094,0.09947415634658784,7.84,6.886644280055328,6.04913825654191,5.312527572732272,4.665391496555087,4.097678004009477,3.599956629899254,3.1634184678329276,2.7798761702237034,2.4420347294395772,2.1450801981655565,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,0.05,2.32,3.273355719944672,4.11086174345809,4.847472427267728,5.494608503444912,6.062321995990522,6.560043370100745,6.996581532167072,7.380123829776296,7.717965270560422,8.014919801834441,first
+272,1.01,92,1.873422041996042e+17,2.14,0.7608058290337602,113.1,Linear,Acid,1,0.40215983827672624,0.22985826803025228,6.69,5.684097449863302,5.078583259854989,4.711604931093888,4.49324037755456,4.3588073634036615,4.279366145956224,4.231077708782989,4.200939151255011,4.184203788192783,4.173879190584658,3.71,3.71,3.71,3.71,3.71,3.71,3.71,3.71,3.71,3.71,3.71,4.74,5.745902550136699,6.351416740145012,6.718395068906114,6.936759622445441,7.07119263659634,7.150633854043777,7.198922291217013,7.22906084874499,7.245796211807218,7.256120809415344,first
+278,5.86,100,3.073694293111419e+17,0.85,-0.16251892949777494,180.2,Unknown,None,0,0.049836002567927924,0.043359592896083765,2.87,2.6294332409862875,2.4301509787220876,2.2618961243431155,2.118566100396999,1.9956734686640092,1.8891854041250882,1.7955236949618503,1.7117093096115918,1.6367281048884448,1.569468913110817,2.32,2.0794332409862872,1.8801509787220871,1.7118961243431152,1.5685661003969988,1.445673468664009,1.339185404125088,1.24552369496185,1.1617093096115916,1.0867281048884445,1.0194689131108168,1.14,1.3805667590137123,1.5798490212779124,1.7481038756568843,1.8914338996030007,2.0143265313359904,2.1208145958749114,2.2144763050381497,2.298290690388408,2.373271895111555,2.4405310868891825,second
+279,4.8,91,3.9640915058624934e+17,3.95,1.3737155789130306,96.9,Linear,None,0,3.6343231066814203,3.184691969042719,7.87,0.47757865971869007,0.35919416487565015,0.30763946313630597,0.277607352400449,0.25748087000134356,0.24303715360874106,0.23198249395481713,0.2233523519556372,0.2164139183047436,0.2106588299276257,3.85,0.15378932985934507,0.09459708243782512,0.06881973156815302,0.053803676200224526,0.04374043500067182,0.03651857680437056,0.030991246977408595,0.02667617597781865,0.023206959152371844,0.020329414963812895,4.77,8.466210670140654,8.525402917562173,8.551180268431846,8.566196323799774,8.576259564999328,8.583481423195629,8.58900875302259,8.59332382402218,8.596793040847627,8.599670585036185,third
+276,13.03,90,3.511955857806375e+17,4.62,1.5303947050936475,140.9,Branched,None,1,3.2501176344754716,2.2789588025410152,8.43,2.0995994196295764,2.100516488065282,2.1000626023355196,2.097770245903121,2.0963883751612054,2.0960632735654117,2.0969510942940914,2.098015579825354,2.0991040792378746,2.0990718495948335,2.82,2.82,2.82,2.82,2.82,2.82,2.82,2.82,2.82,2.82,2.82,3.11,6.275200290185211,6.274741755967358,6.2749686988322395,6.276114877048441,6.276805812419398,6.276968363217295,6.276524452852954,6.275992210087322,6.275447960381062,6.275464075202581,second
+270,5.16,92,2.5378131421457254e+17,4.91,1.5912739418064292,109.2,Unknown,None,1,0.4030388257696462,0.33972422937062263,7.46,1.7510005038121057,1.733519457689649,1.7323629272014023,1.733338873286553,1.7350314914951797,1.732841254253948,1.7328186971335593,1.7347647802919497,1.7327790177892899,1.7335942591275404,4.27,1.4155002519060522,1.4067597288448241,1.4061814636007008,1.4066694366432761,1.4075157457475895,1.4064206271269737,1.4064093485667795,1.4073823901459745,1.4063895088946448,1.40679712956377,2.15,5.004499748093947,5.0132402711551745,5.013818536399298,5.013330563356723,5.012484254252409,5.013579372873025,5.013590651433219,5.012617609854024,5.013610491105354,5.013202870436229,third
+271,10.5,90,2.0289044416697846e+17,3.64,1.2919836816486494,106.2,Ring,Acid,1,0.9106209545440758,0.4581476781521693,2.09,1.0038366899044353,1.0014837791771312,1.0027459589264172,1.0012187260230043,1.001546325847972,1.0021452907093167,1.0029431315010797,1.0016566608716,1.0012908997447976,1.0027331830815016,2.17,1.6269183449522175,1.6257418895885654,1.6263729794632085,1.625609363011502,1.625773162923986,1.6260726453546586,1.62647156575054,1.6258283304358003,1.6256454498723991,1.626366591540751,2.7,3.243081655047782,3.2442581104114336,3.2436270205367905,3.2443906369884967,3.2442268370760132,3.243927354645341,3.2435284342494595,3.2441716695641993,3.2443545501276003,3.243633408459248,third
+271,12.85,99,2.167338145449878e+17,1.72,0.5423242908253617,63.4,Linear,Base,0,0.017914732438358835,0.01363764249335121,7.97,3.1426288048010136,2.3127638684103657,1.9159470165745434,1.6700921392336805,1.501349294260899,1.3742751919415699,1.274483592017101,1.1945377626916494,1.1281467171347719,1.071092485880487,3.11,3.11,3.11,3.11,3.11,3.11,3.11,3.11,3.11,3.11,3.11,4.36,5.969123731732997,6.245745377196545,6.37801766114182,6.4599692869221075,6.516216901913035,6.558574936019478,6.591838802660968,6.618487412436118,6.640617760955077,6.659635838039839,third
+276,9.87,94,3.845899505919739e+17,2.08,0.7323678937132266,72.7,Linear,Enzyme,0,0.6227257919874615,0.3605142856504173,8.82,0.5782111667835302,0.4095862376367671,0.3343669027776762,0.2896310489196301,0.25906683638198913,0.23663506862956965,0.21895109064218085,0.2048083907414605,0.19320496053893038,0.18332522282779357,2.41,2.41,2.41,2.41,2.41,2.41,2.41,2.41,2.41,2.41,2.41,0.91,3.6572629444054905,3.713471254121078,3.7385443657407755,3.753456317026791,3.763644387872671,3.7711216437901443,3.777016303119274,3.7817305364195137,3.7855983464870238,3.788891592390736,third
+273,13.46,90,8.563155196378922e+16,3.66,1.297463147413275,71.9,Linear,Enzyme,0,0.5149924711118721,0.28483971227149896,3.59,3.178006023110502,2.766012046221004,2.3540180693315063,1.9420240924420087,1.530030115552511,1.1180361386630129,0.7060421617735151,0.2940481848840175,-0.11794579200548005,-0.5299397688949781,4.67,4.67,4.67,4.67,4.67,4.67,4.67,4.67,4.67,4.67,4.67,2.08,2.491993976889498,2.903987953778996,3.3159819306684937,3.7279759075579912,4.139969884447489,4.551963861336987,4.963957838226484,5.375951815115982,5.78794579200548,6.199939768894978,zero
+271,9.84,95,4.1873446292561594e+17,2.14,0.7608058290337602,30.1,Ring,Base,0,0.20428722063728086,0.14049740697321333,6.2,5.2651941434958385,4.471348852361214,3.796014550473648,3.2215252491648854,2.7347433290521574,2.3232130209463886,1.9751340878270858,1.679361824842338,1.4263740995335223,1.211315096029792,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.44,1.44,1.44,1.44,1.44,1.44,1.44,1.44,1.44,1.44,1.44,first
+277,4.53,91,2.6571249877388515e+17,3.67,1.3001916620664788,142.1,Branched,Acid,1,1.8351679583729903,1.3381334923169106,8.43,1.6807199776466433,1.6802964400769937,1.6813809885275162,1.6805476626634466,1.681088293547884,1.6808862401588722,1.6806819206819186,1.6811044210581951,1.680403536622432,1.6810160072336036,1.67,1.67,1.67,1.67,1.67,1.67,1.67,1.67,1.67,1.67,1.67,4.26,6.50976000745112,6.509901186641004,6.509539670490829,6.509817445778853,6.50963723548404,6.509704586613711,6.5097726931060285,6.509631859647269,6.5098654877925215,6.509661330922131,third
+270,12.97,97,4.767093488783083e+17,4.18,1.430311246536665,149.5,Ring,Acid,0,0.08162023244370498,0.06680608175161992,3.91,3.8447038140450362,3.7794076280900724,3.7141114421351085,3.6488152561801446,3.5835190702251802,3.5182228842702163,3.4529266983152525,3.387630512360288,3.3223343264053242,3.2570381404503603,3.74,3.74,3.74,3.74,3.74,3.74,3.74,3.74,3.74,3.74,3.74,0.18,0.245296185954964,0.310592371909928,0.375888557864892,0.44118474381985595,0.50648092977482,0.5717771157297841,0.6370733016847481,0.702369487639712,0.7676656735946761,0.8329618595496401,zero
+275,5.2,100,3.4269728958984115e+17,4.84,1.5769147207285403,127.9,Branched,Enzyme,0,0.03465852680597817,0.019295776156700865,1.52,1.4784341378771773,1.4380049354006939,1.3986813089898225,1.360432974044135,1.3232305539523386,1.2870455130733263,1.2518500421536658,1.217617058323978,1.1843202050989357,1.151933852377264,1.97,1.97,1.97,1.97,1.97,1.97,1.97,1.97,1.97,1.97,1.97,3.32,3.32,3.32,3.32,3.32,3.32,3.32,3.32,3.32,3.32,3.32,first
+275,4.88,91,6.262952293468185e+16,4.37,1.4747630091074988,44.7,Unknown,None,1,0.3245170983027573,0.26923714947723243,2.92,2.5563319749665614,2.4283358960580146,2.379751804126426,2.3606161078070746,2.353089168666157,2.350181254227573,2.3488855393129695,2.3484920043805975,2.3482889775842253,2.3481917700190746,0.94,0.5763319749665615,0.4483358960580148,0.39975180412642636,0.38061610780707467,0.3730891686661571,0.3701812542275732,0.3688855393129697,0.36849200438059737,0.3682889775842256,0.3681917700190748,0.47,0.8336680250334384,0.9616641039419851,1.0102481958735736,1.0293838921929255,1.0369108313338429,1.0398187457724268,1.0411144606870304,1.0415079956194027,1.0417110224157744,1.041808229980925,second
+272,13.28,94,1.1292661054913854e+17,3.83,1.3428648031925547,140.9,Ring,None,0,0.1001076480097637,0.07843059641363667,8.99,8.298101112074594,7.659453157181484,7.069825688823734,6.525487318315564,6.02310526746449,5.559522656242848,5.131758502787793,4.737007723401299,4.372641132550159,4.036205442865985,2.14,2.14,2.14,2.14,2.14,2.14,2.14,2.14,2.14,2.14,2.14,3.33,4.021898887925408,4.660546842818518,5.250174311176268,5.794512681684438,6.296894732535512,6.760477343757154,7.188241497212209,7.582992276598703,7.947358867449843,8.283794557134017,first
+276,7.98,97,2.878259725309525e+17,2.76,1.0152306797290584,59.8,Unknown,Acid,0,0.1260783656062964,0.0826303196176346,2.25,2.0341283236294396,1.8389685536431268,1.6624676558242701,1.5028031029319293,1.3584846673444848,1.228108719144822,1.1103528153466513,1.0039756998945073,0.907817303663751,0.8207987444605662,2.28,2.28,2.28,2.28,2.28,2.28,2.28,2.28,2.28,2.28,2.28,2.6,2.8158716763705605,3.0110314463568733,3.1875323441757297,3.3471968970680703,3.491515332655515,3.621891280855178,3.7396471846533488,3.8460243001054923,3.942182696336249,4.029201255539434,first
+280,11.49,90,4.18258101393158e+17,3.04,1.1118575154181303,188.1,Branched,Base,0,6.7784789219612005,5.064290924212706,3.17,0.014050717680078314,6.223977392889082e-05,1.9317362609134462e-07,-8.791794552832317e-07,3.088563725244943e-07,-5.009593232396071e-07,1.0272636350318105e-06,-6.875928308760184e-07,-1.1723993872826574e-07,6.171518052527486e-07,4.46,4.46,4.46,4.46,4.46,4.46,4.46,4.46,4.46,4.46,4.46,1.98,5.135949282319922,5.149937760226072,5.149999806826374,5.150000879179456,5.149999691143628,5.150000500959324,5.149998972736366,5.150000687592831,5.150000117239939,5.149999382848195,first
+275,5.57,100,3.1157610546376966e+17,4.82,1.572773928062509,120.0,Branched,None,0,0.031511100704189686,0.016382908219729465,6.41,6.135218147206171,5.909251248452543,5.720794492490492,5.5625980482845065,5.429436801629934,5.316575914994647,5.219770800244214,5.135539012744769,5.062509610682537,4.999093430797692,1.88,1.605218147206171,1.3792512484525434,1.1907944924904916,1.0325980482845063,0.899436801629934,0.786575914994648,0.689770800244214,0.6055390127447696,0.5325096106825373,0.46909343079769206,2.42,2.6947818527938288,2.9207487515474564,3.1092055075095084,3.2674019517154935,3.4005631983700657,3.5134240850053517,3.6102291997557856,3.69446098725523,3.7674903893174623,3.8309065692023077,second
+270,7.64,98,4.839193088093532e+17,3.93,1.3686394258811698,23.4,Unknown,Base,0,0.05306992726855784,0.04498145429689929,6.59,6.547544058185154,6.505088116370307,6.462632174555461,6.420176232740614,6.377720290925768,6.335264349110922,6.292808407296075,6.250352465481229,6.207896523666383,6.165440581851536,2.39,2.39,2.39,2.39,2.39,2.39,2.39,2.39,2.39,2.39,2.39,0.9,0.9424559418148464,0.9849118836296926,1.0273678254445389,1.0698237672593853,1.1122797090742316,1.1547356508890778,1.1971915927039243,1.2396475345187705,1.2821034763336168,1.3245594181484632,zero
+271,12.55,96,2.6279731695021904e+17,3.47,1.244154593958768,108.6,Unknown,Acid,1,0.08225621283699076,0.04271142219453084,5.26,5.067825372871499,4.893934898835717,4.736573108784592,4.594100722758703,4.4651803912447185,4.348584045371876,4.243157525792232,4.147820582680667,4.061566875734881,3.983463974175399,0.57,0.57,0.57,0.57,0.57,0.57,0.57,0.57,0.57,0.57,0.57,4.22,4.4121746271285005,4.586065101164283,4.743426891215408,4.885899277241297,5.014819608755281,5.131415954628124,5.2368424742077675,5.332179417319333,5.418433124265118,5.496536025824601,first
+280,12.2,96,1.5393604567005558e+17,3.79,1.332366019094335,76.8,Unknown,None,0,0.18952830279682303,0.09966571777518597,5.47,2.061892290089356,1.269798706760499,0.9180361998972156,0.718853002305553,0.5903293933331485,0.501050588172653,0.43541901507111935,0.38456811563892035,0.34452749704426744,0.3120575912967425,1.94,1.94,1.94,1.94,1.94,1.94,1.94,1.94,1.94,1.94,1.94,1.49,3.1940538549553223,3.5901006466197503,3.765981900051392,3.8655734988472235,3.9298353033334257,3.974474705913673,4.00729049246444,4.03271594218054,4.052736251477866,4.068971204351629,second
+271,1.7,97,3.2609597737262925e+17,4.88,1.5851452198650557,113.4,Ring,None,1,0.06548449975442514,0.03585646327356057,4.05,2.9779530865366337,2.4371080276910244,2.1167857008268354,1.9164304076882603,1.7873593687753444,1.7011933119056997,1.6416230775529759,1.6014585630302918,1.5735247119262528,1.553567900510512,0.65,0.65,0.65,0.65,0.65,0.65,0.65,0.65,0.65,0.65,0.65,2.87,3.406023456731683,3.6764459861544876,3.836607149586582,3.9367847961558695,4.001320315612328,4.04440334404715,4.074188461223512,4.094270718484854,4.1082376440368735,4.118216049744744,second
+275,9.62,100,4.25966474504901e+17,1.38,0.3220834991691132,94.0,Branched,Enzyme,0,0.04307991607621331,0.029057373183925653,1.17,1.1110494339742147,1.057121720422561,1.0075993610947733,0.9619552410054549,0.9197774650594539,0.880699937530333,0.8443938211045348,0.810567536881381,0.7789667643730722,0.7493744415046888,1.53,1.4710494339742148,1.417121720422561,1.3675993610947734,1.3219552410054551,1.279777465059454,1.2406999375303331,1.2043938211045349,1.170567536881381,1.1389667643730723,1.109374441504689,4.02,4.078950566025785,4.132878279577439,4.182400638905227,4.228044758994545,4.2702225349405465,4.309300062469667,4.345606178895466,4.3794324631186194,4.411033235626928,4.440625558495311,second
+278,5.96,94,2.1782803724283987e+17,4.29,1.4562867329399256,72.1,Ring,Acid,1,0.4735909069971728,0.3145779211605322,8.9,1.327412973164624,1.3244956493128541,1.326644608338258,1.3267242147023555,1.3256909755762811,1.3250242388280238,1.324281114974835,1.3247246635210466,1.3252336042866937,1.326540596164522,1.96,1.96,1.96,1.96,1.96,1.96,1.96,1.96,1.96,1.96,1.96,0.98,3.5041956756117916,3.505168116895715,3.5044517972205806,3.5044252617658813,3.5047696748079065,3.5049919203906588,3.5052396283417213,3.5050917788263174,3.504922131904435,3.5044864679451595,third
+276,8.48,92,4.50932674550808e+17,1.43,0.3576744442718159,52.8,Unknown,Base,0,1.7455656297360471,1.4602358386543686,3.24,1.843547496211162,0.447094992422324,-0.9493575113665145,-2.3458100151553523,-3.7422625189441887,-5.138715022733029,-6.535167526521867,-7.931620030310706,-9.328072534099544,-10.724525037888382,0.55,0.55,0.55,0.55,0.55,0.55,0.55,0.55,0.55,0.55,0.55,4.26,5.656452503788838,7.052905007577675,8.449357511366514,9.845810015155351,11.242262518944187,12.63871502273303,14.035167526521867,15.431620030310706,16.828072534099544,18.224525037888384,zero
+276,2.11,95,4.5786676094983334e+17,3.49,1.2499017362143359,105.8,Ring,Enzyme,1,0.47948526033130534,0.3353161574458281,9.74,7.444022321602691,6.24712678070839,5.625682166722261,5.29974959646526,5.131295715902147,5.042458084726353,4.997424948599033,4.9722458464677,4.9609747535296655,4.954320888719156,1.15,1.15,1.15,1.15,1.15,1.15,1.15,1.15,1.15,1.15,1.15,2.28,4.575977678397309,5.7728732192916095,6.394317833277738,6.72025040353474,6.8887042840978525,6.977541915273647,7.022575051400967,7.047754153532299,7.059025246470334,7.0656791112808435,first
+271,9.13,93,4.0673067787952237e+17,4.44,1.4906543764441336,109.7,Branched,Acid,1,0.4820797017194054,0.3187010939180332,8.88,2.0900222708895537,1.9946178031364747,1.9905408955961899,1.9892819948738076,1.9902773458295278,1.9903011267076314,1.990147929895751,1.990532441416017,1.991021944975282,1.9919302818057172,3.14,3.14,3.14,3.14,3.14,3.14,3.14,3.14,3.14,3.14,3.14,2.55,5.944988864555223,5.992691098431762,5.994729552201904,5.995359002563096,5.994861327085236,5.9948494366461835,5.994926035052123,5.99473377929199,5.9944890275123575,5.994034859097139,second
+280,9.06,97,2.265062429779004e+16,3.24,1.1755733298042381,165.8,Unknown,None,0,0.01814909193210693,0.014925514963387067,5.26,5.109923721787699,4.9744200164151975,4.851536759347497,4.739687249074079,4.6376648760792945,4.544375650257183,4.458831436253083,4.380149953463634,4.307554776036772,4.240375332871736,2.07,1.919923721787699,1.7844200164151975,1.661536759347497,1.5496872490740787,1.4476648760792945,1.3543756502571829,1.2688314362530835,1.1901499534636337,1.1175547760367721,1.0503753328717358,1.66,1.8100762782123008,1.9455799835848022,2.0684632406525028,2.1803127509259213,2.2823351239207055,2.3756243497428167,2.4611685637469165,2.539850046536366,2.6124452239632276,2.6796246671282637,second
+272,1.48,92,2.790520679363566e+17,3.55,1.2669476034873244,65.6,Ring,None,1,0.599029647331908,0.4529794996596944,4.59,2.7264269233387135,2.610465941850022,2.601132568795355,2.6002129018291487,2.599411847881903,2.5999620094287246,2.601084851191325,2.598257918481429,2.600431675480131,2.601668286387397,3.77,1.906426923338714,1.7904659418500224,1.7811325687953559,1.7802129018291493,1.7794118478819039,1.7799620094287252,1.7810848511913255,1.7782579184814298,1.7804316754801317,1.7816682863873976,4.13,5.993573076661286,6.109534058149978,6.118867431204645,6.119787098170852,6.120588152118097,6.120037990571276,6.118915148808676,6.121742081518572,6.119568324519869,6.118331713612603,second
+274,13.61,92,2.0547351545381155e+17,4.44,1.4906543764441336,56.8,Unknown,Enzyme,0,0.5935866928904896,0.41657954139354314,6.56,0.5912249396421313,0.41888475074842996,0.34217722202883705,0.2966721026873457,0.26518882129629884,0.2422400611469388,0.22432941275744012,0.2097840905646505,0.19777205185045707,0.18760867619873323,0.7,0.7,0.7,0.7,0.7,0.7,0.7,0.7,0.7,0.7,0.7,0.68,2.6695916867859566,2.7270384164171904,2.7526075926570543,2.767775965770885,2.778270392901234,2.7859199796176872,2.7918901957475204,2.79673863647845,2.800742649383181,2.8041304412670893,third
+274,5.75,96,3.335146187260705e+17,3.84,1.3454723665996355,172.7,Branched,Acid,0,0.16644323552559045,0.12358475189601399,2.74,2.000743113454569,1.5770073799472737,1.299119062832683,1.1038085830220206,0.958707079613919,0.8477526356336835,0.7590581991712585,0.6867286580645243,0.6268975389948428,0.5764569636684813,2.77,2.0307431134545686,1.6070073799472735,1.3291190628326828,1.1338085830220204,0.9887070796139188,0.8777526356336833,0.7890581991712583,0.7167286580645241,0.6568975389948426,0.6064569636684811,3.82,4.559256886545431,4.982992620052727,5.260880937167317,5.45619141697798,5.601292920386081,5.712247364366316,5.800941800828742,5.873271341935475,5.9331024610051575,5.983543036331518,second
+276,9.04,92,3.120150275461964e+17,1.51,0.412109650826833,191.4,Ring,Enzyme,1,1.2078138018903304,1.084140191999672,8.08,7.663281030857528,7.663086054880884,7.6632642097874655,7.66307024679972,7.66320757469704,7.66310722113266,7.663162284339975,7.663176377505392,7.663132265935345,7.663203747392924,0.55,0.1332810308575282,0.13308605488088512,0.13326420978746734,0.13307024679972063,0.1332075746970417,0.1331072211326612,0.13316228433997696,0.1331763775053941,0.13313226593534652,0.1332037473929256,0.72,1.136718969142472,1.136913945119115,1.1367357902125328,1.1369297532002796,1.1367924253029584,1.1368927788673389,1.136837715660023,1.1368236224946058,1.1368677340646534,1.136796252607074,second
+276,2.15,98,2.1651889552138877e+17,2.67,0.9820784724121582,81.5,Linear,Acid,1,0.061339977895905194,0.04659885772662088,4.53,3.3762024588753548,2.8206690702778863,2.5083863427217192,2.3231777755422045,2.2120831142590056,2.141617430190693,2.096982017911324,2.0694425433813155,2.050981465640821,2.039062192395153,2.47,2.47,2.47,2.47,2.47,2.47,2.47,2.47,2.47,2.47,2.47,4.1,4.676898770562323,4.954665464861057,5.110806828639141,5.203411112228898,5.258958442870497,5.294191284904653,5.316508991044338,5.3302787283093425,5.339509267179589,5.3454689038024235,second
+278,1.43,92,1.3449278284781195e+17,2.6,0.9555114450274363,67.4,Ring,Base,0,0.6946897745009164,0.4162165741856489,2.52,1.4455565853317363,0.8287220124317564,0.4760011722807667,0.2728775745503777,0.1567179621238985,0.08993782782514174,0.051600035540192796,0.029649046738481594,0.01699401379326778,0.0097686591722375,3.67,3.67,3.67,3.67,3.67,3.67,3.67,3.67,3.67,3.67,3.67,0.71,1.7844434146682637,2.4012779875682435,2.7539988277192333,2.9571224254496222,3.073282037876101,3.140062172174858,3.178399964459807,3.200350953261518,3.2130059862067317,3.2202313408277625,first
+280,10.71,98,6.460709593061429e+16,1.83,0.6043159668533296,113.6,Unknown,None,0,0.033689605117680835,0.01695767258128103,2.37,2.3069776020497907,2.2456310802113992,2.1859158693912963,2.12778852283286,2.071206850810974,2.016129840756955,1.9625174975638335,1.9103308435271569,1.8595319183449872,1.8100837791179023,3.79,3.79,3.79,3.79,3.79,3.79,3.79,3.79,3.79,3.79,3.79,2.6,2.6,2.6,2.6,2.6,2.6,2.6,2.6,2.6,2.6,2.6,first
+276,3.11,94,3.402654062680218e+17,1.04,0.03922071315328133,128.6,Ring,None,1,0.5509557498266343,0.38309447287090576,5.34,4.189373118371233,4.096610769636858,4.087665609968557,4.086766452593779,4.086574734748534,4.086236432996706,4.0870414084755495,4.086396902171598,4.086563032512451,4.0868601729150225,1.71,0.5593731183712315,0.46661076963685666,0.4576656099685556,0.45676645259377757,0.4565747347485314,0.45623643299670374,0.45704140847554753,0.4563969021715959,0.45656303251244895,0.4568601729150207,1.43,2.5806268816287683,2.673389230363143,2.682334390031444,2.6832335474062217,2.683425265251468,2.6837635670032953,2.682958591524452,2.6836030978284033,2.6834369674875505,2.6831398270849784,second
+271,11.79,95,5.685929370442636e+16,1.45,0.371563556432483,44.6,Unknown,None,1,0.02773984017728081,0.01541932809834074,1.23,1.0826038298643035,0.9714915333306045,0.8846986791135686,0.8155968654560117,0.7591098030106347,0.7117393476748927,0.6718516136525504,0.6380231192064112,0.6090348778561112,0.5838794798439249,2.6,2.5263019149321515,2.4707457666653023,2.427349339556784,2.392798432728006,2.364554901505317,2.3408696738374464,2.3209258068262755,2.3040115596032056,2.2895174389280557,2.2769397399219624,0.12,0.1936980850678483,0.24925423333469776,0.2926506604432157,0.3272015672719941,0.35544509849468264,0.37913032616255365,0.3990741931737248,0.4159884403967944,0.4304825610719444,0.44306026007803756,third
+280,5.79,93,1.469478773982853e+17,4.38,1.4770487243883548,104.0,Unknown,Acid,0,0.6564084075792737,0.41516271032424085,1.41,0.8337909670468828,0.4931920202047895,0.2917606538087753,0.17268213173282784,0.10222641662786969,0.06045954651432146,0.03581614665211185,0.02117041867987957,0.012546937248608826,0.00742163591006212,0.37,0.37,0.37,0.37,0.37,0.37,0.37,0.37,0.37,0.37,0.37,2.97,3.5462090329531177,3.886807979795211,4.088239346191225,4.207317868267173,4.277773583372131,4.319540453485678,4.3441838533478885,4.35882958132012,4.367453062751391,4.372578364089938,first
+273,3.78,98,3.830539550702391e+17,4.18,1.430311246536665,127.8,Ring,Enzyme,1,0.06787132228614856,0.05278615267364191,5.89,3.7387613342277852,2.8528964624901416,2.4010517595237126,2.147054883763199,1.9936276899570151,1.8992696728637593,1.838125548675155,1.799872625934897,1.774778215791796,1.7581146715533644,4.38,4.38,4.38,4.38,4.38,4.38,4.38,4.38,4.38,4.38,4.38,1.75,2.8256193328861072,3.2685517687549286,3.494474120238143,3.6214725581184,3.6981861550214923,3.74536516356812,3.775937225662422,3.795063687032551,3.8076108921041016,3.8159426642233174,second
+271,7.69,95,3.137040427264833e+17,0.88,-0.12783337150988489,62.2,Ring,Base,1,0.15304622061322018,0.09590956837298026,7.11,1.591781641000951,1.516554135656648,1.5106683923889743,1.5102344480971517,1.5108875704278002,1.5093100453139379,1.5098416443612785,1.5115839180663309,1.511390254788606,1.5105084106920947,4.62,4.62,4.62,4.62,4.62,4.62,4.62,4.62,4.62,4.62,4.62,3.63,5.469406119666349,5.494481954781117,5.496443869203675,5.496588517300949,5.496370809857399,5.49689665156202,5.496719451879573,5.496138693977889,5.496203248403797,5.496497196435968,third
+275,4.57,93,4.588557412403582e+17,4.32,1.463255402256019,173.8,Ring,Acid,0,0.9913628472102843,0.7233382496909108,7.44,6.646909722231772,5.853819444463546,5.060729166695317,4.26763888892709,3.474548611158863,2.681458333390634,1.8883680556224052,1.095277777854177,0.30218750008594863,-0.4909027776822805,4.08,4.08,4.08,4.08,4.08,4.08,4.08,4.08,4.08,4.08,4.08,0.23,1.023090277768228,1.816180555536455,2.6092708333046826,3.4023611110729104,4.195451388841137,4.9885416666093665,5.781631944377596,6.574722222145823,7.367812499914052,8.160902777682281,zero
+273,8.98,96,3.4289752839863896e+16,3.61,1.2837077723447896,63.3,Branched,None,0,0.014664791428050513,0.010990668437070833,5.75,3.157928786137802,2.4229904656304972,2.038643413090367,1.7939456346534346,1.6199918702935219,1.489800456848441,1.3854510997965952,1.3003905475109816,1.2295896624148834,1.169154322316147,3.03,3.03,3.03,3.03,3.03,3.03,3.03,3.03,3.03,3.03,3.03,1.03,1.8940237379540663,2.1390031781231675,2.267118862303211,2.348684788448855,2.4066693765688263,2.450066514383853,2.484849633401135,2.513203150829673,2.5368034458617057,2.5569485592279513,third
+275,12.48,96,4.79538486610781e+17,3.91,1.3635373739972745,180.2,Unknown,Acid,0,0.2789503561655333,0.2479657003140737,4.63,0.8513055404370923,0.6072915511466443,0.4970036802316289,0.43126449108272036,0.38583913860350233,0.35268767553135555,0.3265582982423789,0.3054716585017068,0.2880885255014058,0.27335676411024934,0.34,0.34,0.34,0.34,0.34,0.34,0.34,0.34,0.34,0.34,0.34,1.56,2.819564819854303,2.900902816284452,2.9376654399227906,2.959578502972427,2.974720287132166,2.985770774822882,2.9944805672525407,3.0015094471660984,3.007303824832865,3.012214411963251,third
+271,13.16,92,4.712976261977661e+17,4.54,1.5129270120532565,192.7,Linear,Enzyme,0,0.8706866347981679,0.7452112733266674,8.75,4.35976998375722,2.1717552825181805,1.0831354961890098,0.5405566446918558,0.2692446061016041,0.13423098295835073,0.06700857430796198,0.0334097117994768,0.016642632344275023,0.008309670032992721,1.04,1.04,1.04,1.04,1.04,1.04,1.04,1.04,1.04,1.04,1.04,3.73,8.12023001624278,10.30824471748182,11.39686450381099,11.939443355308144,12.210755393898395,12.345769017041649,12.412991425692038,12.446590288200523,12.463357367655725,12.471690329967007,first
+274,10.21,93,3.312319564545451e+17,1.99,0.688134638736401,60.9,Linear,Base,0,0.6169021405936409,0.45831380651520714,2.72,1.660255785282024,1.0133934962882702,0.6186886583391099,0.3780090736335098,0.23081568801264055,0.14100536559625043,0.08611116378857553,0.05260074450427425,0.03212667934947482,0.019634545894316693,0.11,0.11,0.11,0.11,0.11,0.11,0.11,0.11,0.11,0.11,0.11,3.25,4.309744214717976,4.95660650371173,5.351311341660891,5.59199092636649,5.739184311987359,5.82899463440375,5.883888836211424,5.9173992554957255,5.937873320650525,5.950365454105683,first
+272,6.06,91,1.3652753582326285e+17,0.79,-0.23572233352106983,164.0,Branched,None,0,0.45606776494012496,0.3978293862700729,8.4,5.832105826241491,4.047571623059159,2.8115110805942747,1.9520086447747544,1.3548763127980794,0.9419926760898725,0.6534569234116785,0.45401116598224894,0.3155792596529548,0.21910981250523587,1.78,1.78,1.78,1.78,1.78,1.78,1.78,1.78,1.78,1.78,1.78,0.82,3.387894173758509,5.17242837694084,6.408488919405725,7.267991355225246,7.865123687201921,8.278007323910128,8.56654307658832,8.765988834017751,8.904420740347046,9.000890187494765,first
+271,13.56,96,3.060435740757546e+17,3.05,1.1151415906193203,163.7,Linear,Base,0,0.09579239871515605,0.07325504903849901,8.26,7.021688352502077,7.0005072129217,7.000012414486459,7.00000033336874,7.00000068463729,7.000001914303799,7.0000018484207445,6.99999971415031,6.999999021714586,7.000000699333084,0.63,0.010844176251038411,0.0002536064608498077,6.207243229305878e-06,1.6668436942337203e-07,3.4231864489758945e-07,9.571518993070592e-07,9.242103722117861e-07,-1.4292484518876834e-07,-4.891427069902635e-07,3.4966654163956523e-07,0.87,1.4891558237489617,1.4997463935391502,1.4999937927567708,1.4999998333156306,1.4999996576813552,1.4999990428481007,1.499999075789628,1.500000142924845,1.500000489142707,1.4999996503334583,third
+278,1.44,91,3.760138197952843e+17,1.14,0.131028262406404,74.6,Linear,Acid,1,2.9936216307194927,2.6642061834691364,1.03,0.9452100208271355,0.9439842747091103,0.9458407888406234,0.9451289389844,0.9451296550677635,0.9453457891219925,0.944362614832112,0.9461749496908057,0.9446412266539023,0.9452646126861634,1.32,1.32,1.32,1.32,1.32,1.32,1.32,1.32,1.32,1.32,1.32,0.92,0.9482633263909546,0.9486719084302959,0.9480530703864579,0.9482903536718653,0.9482901149774106,0.9482180702926672,0.9485457950559604,0.9479416834363953,0.9484529244486961,0.9482451291046088,third
+279,11.52,96,4.876053751604366e+17,3.85,1.3480731482996928,25.7,Linear,None,0,0.5178570341340247,0.28586671928574564,3.75,1.271293276559678,0.7008893005538039,0.4518195449911468,0.3146946045807555,0.2288164361512548,0.17161850105469362,0.13102923578712716,0.1016606304204121,0.07967084948281501,0.06289021966636678,4.25,1.771293276559678,1.2008893005538042,0.951819544991147,0.8146946045807556,0.728816436151255,0.6716185010546938,0.6310292357871272,0.6016606304204122,0.5796708494828151,0.5628902196663669,2.73,5.208706723440322,5.779110699446196,6.028180455008854,6.165305395419245,6.251183563848746,6.308381498945307,6.348970764212873,6.378339369579589,6.4003291505171855,6.417109780333633,second
+278,10.35,99,2.239761562787022e+17,2.2,0.7884573603642703,149.8,Ring,Base,0,0.05597389010453239,0.035371378114450736,7.02,6.712584875433424,6.418631891366367,6.137548207513668,5.868769739827378,5.611763445658644,5.366016265599957,5.131034982558332,4.906346221755298,4.691496450726902,4.486051979323707,4.61,4.61,4.61,4.61,4.61,4.61,4.61,4.61,4.61,4.61,4.61,2.21,2.5174151245665755,2.8113681086336326,3.0924517924863313,3.3612302601726207,3.618236554341356,3.8639837344000423,4.098965017441667,4.323653778244702,4.5385035492730985,4.743948020676292,first
+273,2.16,92,3.0615778266858336e+17,4.17,1.4279160358107101,29.9,Ring,None,0,0.7628289953749546,0.4701233771246647,6.64,6.029736803700036,5.419473607400073,4.809210411100109,4.198947214800145,3.5886840185001816,2.9784208222002175,2.368157625900255,1.7578944296002916,1.147631233300329,0.5373680370003662,2.58,2.58,2.58,2.58,2.58,2.58,2.58,2.58,2.58,2.58,2.58,3.23,3.840263196299964,4.450526392599927,5.060789588899891,5.671052785199855,6.2813159814998185,6.891579177799782,7.501842374099745,8.11210557039971,8.72236876669967,9.332631962999635,zero
+275,9.86,93,2.7280567070233472e+17,0.97,-0.030459207484708574,30.3,Branched,Acid,0,0.5893996350825014,0.3411027429219053,1.6,0.5582550791639795,0.40725710612675303,0.33623442026388983,0.2929361515606615,0.2627963261683123,0.2403929853853352,0.22307339699864626,0.2088890289138998,0.19708026501961173,0.18707159072745605,0.54,0.54,0.54,0.54,0.54,0.54,0.54,0.54,0.54,0.54,0.54,4.19,4.53724830694534,4.587580964624417,4.611255193245371,4.62568794947978,4.635734557943897,4.6432023382048895,4.648975534333785,4.653703657028701,4.65763991166013,4.660976136424182,third
+273,7.47,94,5.782100136771629e+16,4.36,1.472472057360943,89.4,Branched,Enzyme,0,0.05968735320679324,0.03958469292156518,9.24,4.910380725642645,3.3446024129900938,2.535906747940481,2.044544548580853,1.7100017761970312,1.4714348713123024,1.2910380369766368,1.1491858360894351,1.035897769925862,0.9429583878239557,0.51,0.51,0.51,0.51,0.51,0.51,0.51,0.51,0.51,0.51,0.51,0.35,2.514809637178678,3.2976987935049533,3.7020466260297598,3.9477277257095738,4.114999111901485,4.234282564343849,4.324480981511682,4.395407081955283,4.45205111503707,4.498520806088022,second
+271,10.39,90,2.229619270452988e+17,4.51,1.506297153514587,169.9,Ring,Acid,0,1.0007065816558622,0.6678753160605129,5.68,0.5515007771241799,0.34577959749960063,0.2588030791483579,0.20923863041695956,0.17633550566423617,0.15312774126389647,0.13546445955826564,0.12162689904338089,0.11057409756504863,0.10144011619694702,3.3,0.73575038856209,0.6328897987498003,0.589401539574179,0.5646193152084797,0.548167752832118,0.5365638706319482,0.5277322297791328,0.5208134495216904,0.5152870487825243,0.5107200580984735,1.86,4.424249611437911,4.5271102012502,4.570598460425821,4.595380684791521,4.611832247167882,4.623436129368052,4.632267770220867,4.63918655047831,4.644712951217476,4.6492799419015265,third
+277,1.96,97,3.840214447402697e+17,3.48,1.247032293786383,151.9,Unknown,Base,0,0.1959486166151815,0.11880050270459681,8.15,4.436139661968314,4.373234157323111,4.370162010574534,4.370008019616182,4.370000824745072,4.370000539821136,4.370000491624641,4.369999291707901,4.369999087779253,4.370000410902605,1.89,0.03306983098415667,0.0016170786615551376,8.100528726652257e-05,4.009808090626436e-06,4.1237253603748684e-07,2.699105680899518e-07,2.458123200432725e-07,-3.5414604952741586e-07,-4.5611037345682583e-07,2.054513025592851e-07,2.82,4.676930169015843,4.708382921338444,4.709918994712733,4.709995990191908,4.709999587627463,4.709999730089431,4.709999754187679,4.7100003541460485,4.710000456110372,4.709999794548696,third
+270,2.42,93,1.7441439264091875e+17,0.96,-0.040821994520255166,44.7,Branched,Acid,1,0.17741933448896524,0.15512375802008369,7.3,1.789280411561127,1.7699146669964774,1.7682406037042862,1.7685233158589333,1.7683862317787025,1.7701644867815756,1.7716610503898245,1.7693594009777702,1.768201402107178,1.769567763661078,0.69,0.69,0.69,0.69,0.69,0.69,0.69,0.69,0.69,0.69,0.69,4.49,6.326906529479622,6.333361777667839,6.333919798765235,6.333825561380353,6.333871256073763,6.333278504406139,6.332779649870056,6.33354686634074,6.333932865964271,6.33347741211297,third
+278,13.75,92,4.5814683796413344e+17,2.36,0.8586616190375187,108.5,Ring,None,0,2.3664461156533325,1.4325138603704688,5.77,3.8768431074773324,1.9836862149546661,0.0905293224319994,-1.802627570090666,-3.6957844626133336,-5.5889413551360025,-7.482098247658671,-9.375255140181338,-11.268412032704008,-13.161568925226678,0.07,0.07,0.07,0.07,0.07,0.07,0.07,0.07,0.07,0.07,0.07,3.68,5.573156892522666,7.466313785045333,9.359470677568,11.252627570090665,13.145784462613332,15.038941355136002,16.932098247658672,18.825255140181337,20.71841203270401,22.611568925226678,zero
+272,10.65,91,3.53928790635846e+16,4.43,1.4883995840570443,144.0,Ring,Base,1,0.11822927259319084,0.07554568181535176,5.02,3.6760971097238526,3.032070454172662,2.6788633380410647,2.4713075702648664,2.3442852778429963,2.2642690724672945,2.2139224707877414,2.1806117036366826,2.159505722209811,2.1460296769262555,4.61,3.2660971097238525,2.622070454172662,2.2688633380410645,2.061307570264866,1.9342852778429964,1.854269072467294,1.8039224707877408,1.7706117036366822,1.7495057222098105,1.7360296769262549,2.77,4.113902890276147,4.757929545827338,5.111136661958935,5.318692429735133,5.445714722157003,5.525730927532706,5.576077529212259,5.609388296363318,5.630494277790189,5.643970323073744,second
+273,6.65,100,4.748634307962038e+17,2.13,0.7561219797213337,37.6,Branched,Acid,0,0.03485859744261326,0.01834781200998552,6.47,4.754005756024858,3.766261062162549,3.113248521411516,2.6548693712601183,2.31164103456656,2.049352085196647,1.841004888120814,1.6695255713843256,1.5273709510071365,1.4075212288511703,1.5,1.5,1.5,1.5,1.5,1.5,1.5,1.5,1.5,1.5,1.5,3.81,4.667997121987571,5.1618694689187254,5.488375739294242,5.717565314369941,5.889179482716719,6.0203239574016765,6.124497555939593,6.210237214307837,6.281314524496431,6.341239385574415,second
+276,7.92,90,1.2047337581667384e+17,1.08,0.0769610411361284,172.0,Ring,Enzyme,1,1.1149133391190533,0.9439019134869877,6.81,6.099934326315555,6.098680243527992,6.098918613976724,6.099263938888409,6.099089321631028,6.0991737591519115,6.0993909547927645,6.099158187514422,6.099291233010289,6.099035055601346,1.05,0.33993432631555576,0.3386802435279932,0.33891861397672435,0.3392639388884105,0.3390893216310299,0.3391737591519139,0.33939095479276665,0.3391581875144231,0.3392912330102912,0.33903505560134867,1.73,2.4400656736844444,2.441319756472007,2.4410813860232756,2.4407360611115894,2.44091067836897,2.440826240848086,2.4406090452072333,2.4408418124855764,2.4407087669897085,2.4409649443986505,second
+278,3.82,94,4.9876026696390406e+17,1.7,0.5306282510621704,62.3,Branched,Base,0,1.0843798171961523,0.7638643971690708,4.51,1.8945401629480378,0.7960372516847541,0.33442538632877405,0.14055669555376887,0.0590930559515529,0.02485001474532488,0.01045141450217318,0.004395659463705589,0.001848338871958742,0.0007765892446447086,3.66,3.66,3.66,3.66,3.66,3.66,3.66,3.66,3.66,3.66,3.66,2.92,5.535459837051961,6.633962748315245,7.095574613671225,7.289443304446231,7.370906944048446,7.405149985254675,7.419548585497827,7.425604340536294,7.428151661128041,7.429223410755355,first
+274,1.41,92,2.6607801223872653e+17,3.55,1.2669476034873244,86.9,Ring,None,1,0.7686653288957055,0.6174946170978813,6.95,2.6531985375448546,2.652918192728359,2.653622232262398,2.6527349595944467,2.6518050875605397,2.6519061021499852,2.6528960472602967,2.6536450517809858,2.6527165493818323,2.6525992450626767,2.53,0.3815992687724269,0.38145909636417913,0.3818111161311985,0.38136747979722285,0.3809025437802692,0.380953051074992,0.38144802363014757,0.3818225258904921,0.3813582746909154,0.38129962253133765,1.19,3.3384007312275723,3.3385409036358205,3.338188883868801,3.338632520202777,3.3390974562197306,3.3390469489250076,3.3385519763698523,3.338177474109508,3.3386417253090848,3.3387003774686628,third
+273,1.87,99,2.7467532049701384e+16,4.02,1.3912819026309295,70.6,Linear,Acid,1,0.0031325889470206645,0.0020675798848897252,7.5,5.538910073557677,4.592491583352627,4.011655070991364,3.6117412348965887,3.3168374446178177,3.0839402871917723,2.897659412066592,2.7451704382944646,2.6160638427406657,2.504737894572292,4.51,4.51,4.51,4.51,4.51,4.51,4.51,4.51,4.51,4.51,4.51,1.32,1.9736966421474411,2.2891694722157907,2.4827816430028786,2.61608625503447,2.714387518460727,2.792019904269409,2.8541135293111357,2.904943187235178,2.9479787190864446,2.9850873684759027,third
+272,3.12,94,3.535191509450433e+17,0.81,-0.21072103131565253,64.2,Branched,None,1,0.31338911666101443,0.18547611021560145,9.03,2.1372517738110264,1.7686497940304233,1.7164338446482406,1.7084253990423537,1.7072526076056953,1.7063562819324292,1.7071673466543456,1.7045936720681532,1.7094506224157833,1.7073434801753717,1.45,1.45,1.45,1.45,1.45,1.45,1.45,1.45,1.45,1.45,1.45,1.26,4.706374113094487,4.890675102984789,4.91678307767588,4.920787300478824,4.921373696197152,4.921821859033786,4.921416326672828,4.922703163965924,4.920274688792109,4.921328259912315,second
+277,13.45,94,4.601281046375734e+17,0.53,-0.6348782724359695,173.2,Branched,Acid,0,0.8637817823254276,0.7443535065570165,6.43,0.4906245080481218,0.3476228894631406,0.283911418763302,0.24581098683049868,0.21999860768328997,0.20084149764726703,0.18586020156309557,0.17392236783555548,0.16406562677544215,0.15562058324876193,0.71,0.71,0.71,0.71,0.71,0.71,0.71,0.71,0.71,0.71,0.71,1.98,3.9597918306506257,4.007459036845619,4.028696193745565,4.041396337723166,4.050000464105569,4.05638616745091,4.0613799328123,4.06535921072148,4.068644791074852,4.071459805583745,third
+271,10.8,100,3.289212926947405e+17,0.75,-0.2876820724517809,172.2,Linear,None,0,0.01744298990151765,0.009139220414951917,4.04,2.62698486334064,2.0921840729475036,1.7896865532118247,1.5905511177592222,1.4445728913803098,1.3331521503887096,1.2447311627893498,1.1711879365053819,1.1092324988084827,1.0561704541066765,3.36,3.36,3.36,3.36,3.36,3.36,3.36,3.36,3.36,3.36,3.36,0.03,0.5010050455531199,0.6792719756841653,0.780104482262725,0.8464829607469257,0.8951423695398968,0.9322826165370968,0.9617562790702168,0.9862706878315393,1.0069225003971722,1.0246098486311077,third
+278,1.71,90,4.986572311054053e+17,1.95,0.6678293725756554,192.7,Ring,Acid,1,6.119224645785012,4.533883306943414,2.69,2.569506754416416,2.5704285181034425,2.571639428920964,2.5702855103300215,2.5694892377753633,2.5707617253888113,2.571016291145123,2.5707880250900184,2.568908585918804,2.5705545900230113,1.4,1.279506754416417,1.2804285181034434,1.2816394289209647,1.2802855103300226,1.2794892377753642,1.2807617253888113,1.2810162911451228,1.280788025090018,1.2789085859188047,1.280554590023012,4.32,4.440493245583585,4.439571481896558,4.438360571079036,4.439714489669978,4.440510762224637,4.439238274611191,4.438983708854879,4.439211974909984,4.441091414081198,4.439445409976992,second
+271,2.78,92,2.5160994769011402e+17,0.88,-0.12783337150988489,81.1,Linear,Enzyme,1,0.46483030352484894,0.3523961789354709,9.78,1.38308369345359,1.3824349952888773,1.3825904841170564,1.3825821544357924,1.382535629037579,1.3825811955579483,1.3825653623203156,1.382544186447289,1.3825839936781026,1.3821308837061683,4.96,4.96,4.96,4.96,4.96,4.96,4.96,4.96,4.96,4.96,4.96,0.68,3.4789721021821354,3.4791883349037067,3.4791365052943135,3.4791392818547346,3.479154790320806,3.479139601480683,3.4791448792265602,3.479151937850902,3.479138668773964,3.4792897054312752,third
+277,2.71,96,4.1519911058400224e+17,2.98,1.091923300517313,148.7,Unknown,Base,0,0.32705640403545133,0.27553181234425966,7.09,3.7973761861165047,3.7706585694878227,3.770016511148871,3.7700006531720125,3.7700005806172388,3.7700028720939316,3.7700013567087005,3.7699994580199214,3.7699978675093786,3.7700014651019025,1.66,0.013688093058251992,0.0003292847439109609,8.255574435065544e-06,3.265860056645411e-07,2.903086189083995e-07,1.4360469654765394e-06,6.783543498947039e-07,-2.7099003969944085e-07,-1.0662453110126299e-06,7.325509506233471e-07,2.39,4.036311906941748,4.049670715256089,4.049991744425565,4.0499996734139945,4.049999709691381,4.049998563953035,4.04999932164565,4.05000027099004,4.0500010662453105,4.049999267449049,third
+274,7.46,93,2.9870937542985645e+17,3.95,1.3737155789130306,93.1,Branched,Acid,0,0.5563305397538112,0.35685122639597694,1.89,0.5832527114884134,0.4228059500614798,0.34799108088111974,0.3025945827311164,0.27137870682849596,0.24825965733076474,0.2299828040383135,0.2153329591298681,0.20327641521437761,0.19297798072432157,0.07,0.07,0.07,0.07,0.07,0.07,0.07,0.07,0.07,0.07,0.07,1.69,2.1255824295038623,2.17906468331284,2.204002973039627,2.2191351390896283,2.2295404310571683,2.2372467808897456,2.2433390653205625,2.248222346956711,2.252241194928541,2.2556740064252265,third
+276,10.44,90,2.8761415956307437e+17,4.41,1.4838746894587547,139.5,Linear,Enzyme,0,2.661707292940376,2.3278996589913605,5.19,0.6182655964229011,0.07363562570156629,0.008769720592962733,0.0010448941489377744,0.00012442977680132125,1.4997551542302839e-05,1.6938166027054015e-06,1.4690881420712012e-07,2.0698250483097667e-07,4.6792135578577766e-08,3.85,3.85,3.85,3.85,3.85,3.85,3.85,3.85,3.85,3.85,3.85,4.44,9.0117344035771,9.556364374298434,9.621230279407037,9.628955105851063,9.6298755702232,9.629985002448459,9.629998306183397,9.629999853091187,9.629999793017497,9.629999953207866,first
+279,6.17,100,4.033097450719376e+17,5.0,1.6094379124341003,37.6,Unknown,Enzyme,0,0.07636060066079224,0.04062222704663735,2.77,2.7089115194713664,2.6478230389427324,2.586734558414099,2.5256460778854652,2.4645575973568317,2.4034691168281976,2.3423806362995636,2.28129215577093,2.2202036752422964,2.1591151947136624,3.63,3.63,3.63,3.63,3.63,3.63,3.63,3.63,3.63,3.63,3.63,4.96,5.0210884805286335,5.082176961057267,5.143265441585902,5.204353922114535,5.265442402643169,5.326530883171802,5.387619363700436,5.4487078442290695,5.509796324757704,5.570884805286338,zero
+276,5.66,93,2.3589429588996154e+17,3.94,1.3711807233098425,91.3,Ring,Enzyme,1,0.5905805482530926,0.45878942488058855,1.74,1.5170758483909825,1.507916345693477,1.5074835535798885,1.5053760002991077,1.5083467049447452,1.5076976266713573,1.5070759384857941,1.5064836031012834,1.509522037956213,1.5086535821168368,1.68,1.68,1.68,1.68,1.68,1.68,1.68,1.68,1.68,1.68,1.68,2.81,2.9214620758045085,2.926041827153261,2.926258223210056,2.927311999850446,2.9258266475276273,2.9261511866643217,2.9264620307571034,2.9267581984493587,2.9252389810218937,2.925673208941582,second
+277,9.77,100,2.1893060728087008e+17,0.72,-0.3285040669720361,169.2,Ring,None,0,0.030363697171598463,0.02144947220043463,8.85,8.431950699958712,8.106104515481519,7.847312992343658,7.64038292301388,7.473810228142778,7.337595549259023,7.224492781290382,7.130964976762162,7.053369569087612,6.988633137364736,2.21,1.7919506999587116,1.4661045154815182,1.2073129923436574,1.0003829230138794,0.8338102281427769,0.6975955492590217,0.5844927812903812,0.49096497676216083,0.4133695690876106,0.34863313736473417,3.08,3.4980493000412882,3.823895484518482,4.082687007656343,4.28961707698612,4.456189771857223,4.592404450740978,4.705507218709619,4.799035023237839,4.87663043091239,4.941366862635266,second
+274,8.39,100,4.23102565457465e+17,1.98,0.6830968447064438,191.3,Linear,None,1,0.0364770663524964,0.02242506941358786,1.5,1.4835287233790277,1.467815602061085,1.452825743725681,1.4385257739584982,1.4248838699687854,1.411869968445112,1.399455244442005,1.3876120783935029,1.376314056113156,1.3655359687940252,3.05,3.05,3.05,3.05,3.05,3.05,3.05,3.05,3.05,3.05,3.05,1.5,1.5164712766209723,1.532184397938915,1.547174256274319,1.5614742260415018,1.5751161300312146,1.588130031554888,1.600544755557995,1.6123879216064971,1.623685943886844,1.6344640312059748,first
+280,7.47,99,4.6044420069561594e+17,1.41,0.34358970439007686,129.7,Unknown,Base,0,0.1562549140817563,0.12466213540871784,4.46,2.1366819734353615,1.687978743525814,1.473857904410915,1.3440012607704153,1.2564144078427348,1.1922050190648257,1.143399625762135,1.1052212666120482,1.0742205815003134,1.0487219814836237,1.79,0.6283409867176809,0.40398937176290717,0.2969289522054577,0.2320006303852078,0.18820720392136756,0.156102509532413,0.13169981288106775,0.1126106333060243,0.09711029075015692,0.08436099074181208,1.92,3.081659013282319,3.3060106282370927,3.413071047794542,3.477999369614792,3.5217927960786324,3.5538974904675866,3.578300187118932,3.5973893666939754,3.612889709249843,3.6256390092581876,third
+275,3.15,100,3.081381452736937e+17,2.88,1.0577902941478545,125.3,Ring,Base,1,0.03116340424137773,0.015995451662460677,7.18,2.505777884478296,1.912923236528703,1.6666695983108146,1.5387016440257795,1.4644196675598664,1.41946806915568,1.3905247983895241,1.3727997969722332,1.3610248254519102,1.3531451199146223,2.8,2.8,2.8,2.8,2.8,2.8,2.8,2.8,2.8,2.8,2.8,2.72,4.278074038507235,4.475692254490432,4.557776800563062,4.600432785324739,4.625193444146711,4.640177310281439,4.6498250672034915,4.655733401009255,4.65965839151603,4.662284960028459,third
+280,10.43,90,3.4234699670759085e+17,1.67,0.5128236264286637,84.3,Ring,Base,0,5.548229414922424,3.793679344347068,3.66,0.1939145156904638,0.1372502511678158,0.11209942140786164,0.09702089810293407,0.08684697875064763,0.07925393845685076,0.07335198336132381,0.06865105390739819,0.06474541533906121,0.06140832486603943,0.06,0.06,0.06,0.06,0.06,0.06,0.06,0.06,0.06,0.06,0.06,3.55,4.705361828103179,4.724249916277395,4.732633526197379,4.7376597006323555,4.741051007083118,4.743582020514383,4.745549338879559,4.747116315364201,4.7484181948869795,4.7495305583779865,third
+277,9.54,95,4.008190049110494e+16,0.95,-0.05129329438755058,169.9,Linear,None,0,0.04874095864258875,0.03460544236175021,9.17,3.9180635692770913,3.0681653274491225,2.672536938378794,2.436280743867968,2.2758085307476916,2.1603577180490294,2.0726075541810878,2.003445664133944,1.9480815375913574,1.902729103567159,3.78,1.154031784638545,0.7290826637245605,0.5312684691893963,0.41314037193398345,0.3329042653738451,0.275178859024514,0.23130377709054323,0.19672283206697125,0.169040768795678,0.14636455178357882,4.94,7.565968215361455,7.99091733627544,8.188731530810605,8.306859628066018,8.387095734626156,8.444821140975487,8.488696222909457,8.52327716793303,8.550959231204322,8.573635448216422,third
+270,1.9,93,1.5585667249631114e+17,2.49,0.9122827104766164,177.0,Linear,Enzyme,1,0.15854188803609548,0.09433483698731288,5.37,1.5466755463333153,1.3206341093099376,1.279104435437979,1.270425895336409,1.2683030080132092,1.2681091005128278,1.267869837318062,1.2681139397988135,1.267688693153955,1.2684137927847245,4.05,2.1383377731666573,2.025317054654969,2.0045522177189894,2.0002129476682042,1.9991515040066044,1.9990545502564139,1.998934918659031,1.9990569698994067,1.9988443465769774,1.9992068963923622,3.35,5.2616622268333435,5.374682945345032,5.395447782281012,5.399787052331797,5.4008484959933964,5.400945449743587,5.40106508134097,5.400943030100595,5.401155653423023,5.400793103607639,third
+275,10.74,92,4.1415780013227e+17,2.12,0.7514160886839212,183.7,Unknown,Base,0,1.3857130912783207,0.9405508420077854,1.61,0.408574334606178,0.2596979805698413,0.19430760192184826,0.15642216819413668,0.1316900967712039,0.11383185909710204,0.10048751240638445,0.09011049135786567,0.08166407759011005,0.07471088163566147,1.28,0.6792871673030889,0.6048489902849206,0.572153800960924,0.5532110840970682,0.5408450483856018,0.5319159295485509,0.5252437562031921,0.5200552456789327,0.5158320387950549,0.5123554408178307,1.35,1.9507128326969112,2.0251510097150796,2.057846199039076,2.076788915902932,2.089154951614398,2.098084070451449,2.104756243796808,2.1099447543210674,2.1141679612049455,2.1176445591821698,third
+271,1.5,93,8.53649523054147e+16,2.85,1.0473189942805592,136.5,Ring,Base,1,0.1011792642719599,0.06070858661459833,6.42,3.3284650753207456,2.419416268452537,2.0333704059932263,1.845466946194333,1.7463011535348723,1.6931876065645686,1.6633573451413435,1.6475667000051846,1.6381134244429132,1.6328986801996346,0.37,0.37,0.37,0.37,0.37,0.37,0.37,0.37,0.37,0.37,0.37,2.01,3.555767462339627,4.010291865773731,4.203314797003387,4.297266526902833,4.346849423232563,4.373406196717715,4.388321327429328,4.396216649997407,4.400943287778542,4.403550659900182,second
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+276,5.76,94,3.6153757084428416e+17,1.98,0.6830968447064438,122.1,Unknown,Enzyme,1,0.5853995139256463,0.32719949230552575,7.22,1.9022155938024234,1.8463263415689362,1.8441614555367094,1.841730601819354,1.8443773238814536,1.8445549283885743,1.8450452328885312,1.8454860000778182,1.8463918548753948,1.8453869797942442,4.55,4.55,4.55,4.55,4.55,4.55,4.55,4.55,4.55,4.55,4.55,3.4,6.058892203098789,6.086836829215532,6.087919272231645,6.089134699090323,6.087811338059272,6.087722535805712,6.087477383555734,6.08725699996109,6.086804072562302,6.087306510102876,second
+280,8.09,97,5.909151004622179e+16,3.83,1.3428648031925547,145.9,Linear,Enzyme,1,0.047347800843641034,0.035070056257937826,3.04,1.8315411575151934,1.5163391727474527,1.379750947703538,1.3115553716791237,1.2742917559523224,1.253920564202766,1.2416558699934341,1.235210347163885,1.2312925125370053,1.228868497355993,3.59,3.59,3.59,3.59,3.59,3.59,3.59,3.59,3.59,3.59,3.59,1.88,2.282819614161602,2.3878869424175155,2.433416350765487,2.4561482094402916,2.4685694146825585,2.4753598119324107,2.4794480433355215,2.4815965509453712,2.4829024958209978,2.483710500881335,third
+272,12.88,95,3.4098117060049094e+17,1.61,0.4762341789963717,173.8,Linear,Acid,1,0.19424744208719366,0.11369630622363426,7.45,2.6319465260753563,2.0082048853158274,1.8508018252495668,1.80593886646713,1.792443554553467,1.787928352425976,1.7872748817804607,1.7862624035352237,1.7866038327682887,1.7866122028898006,0.5,0.5,0.5,0.5,0.5,0.5,0.5,0.5,0.5,0.5,0.5,2.62,5.029026736962321,5.340897557342086,5.419599087375216,5.442030566766435,5.448778222723266,5.451035823787012,5.45136255910977,5.451868798232388,5.451698083615856,5.4516938985551,second
+277,10.08,91,3.543710296852062e+17,2.21,0.7929925155296614,22.3,Unknown,Base,1,2.4474963054235155,2.1545648114183855,2.6,1.6195386488509016,1.617029731126256,1.616934893659466,1.6195221348150088,1.617052738251309,1.616937113246726,1.6194613418219157,1.616996448188461,1.6170638935643875,1.6188787986945852,2.47,2.47,2.47,2.47,2.47,2.47,2.47,2.47,2.47,2.47,2.47,4.48,4.806820450383033,4.807656756291248,4.807688368780177,4.806825955061661,4.807649087249558,4.807687628917752,4.806846219392689,4.807667850603839,4.807645368811864,4.80704040043513,third
+278,2.8,97,2.7433761284647603e+17,3.8,1.33500106673234,63.7,Linear,Base,1,0.16288136799826872,0.10621047228384145,4.45,4.176744169572938,3.9564339970406275,3.778307598300215,3.6340858347050378,3.5184660155395884,3.426310769220203,3.35255638466018,3.292314984411752,3.2432870795946904,3.2037612453926734,1.95,1.95,1.95,1.95,1.95,1.95,1.95,1.95,1.95,1.95,1.95,3.25,3.5232558304270625,3.7435660029593736,3.9216924016997856,4.065914165294963,4.181533984460413,4.273689230779798,4.347443615339821,4.407685015588249,4.456712920405311,4.496238754607328,first
+275,11.3,100,1.5072641858734934e+17,4.84,1.5769147207285403,195.6,Unknown,None,0,0.015243644398912662,0.011392685418834949,6.38,5.520856288136894,4.8657724936005256,4.34769889498415,3.9313250949411893,3.591427304639741,3.305882616644466,3.0592864313933017,2.8468694772803897,2.6621453887749555,2.4998843473640253,4.01,4.01,4.01,4.01,4.01,4.01,4.01,4.01,4.01,4.01,4.01,2.36,2.7895718559315528,3.117113753199737,3.3761505525079247,3.584337452529405,3.7542863476801296,3.897058691677767,4.020356784303349,4.126565261359805,4.218927305612522,4.300057826317987,second
+274,5.61,92,4.681645595626374e+17,1.87,0.6259384308664954,167.8,Branched,None,1,1.3524675042696046,0.9569032610428857,6.31,3.6058954029377186,3.179003413421341,3.1117533762172385,3.1011052627777533,3.099598804985298,3.099956372360814,3.0976899243518408,3.1009879531945423,3.09918613031441,3.1004633664376544,0.38,0.38,0.38,0.38,0.38,0.38,0.38,0.38,0.38,0.38,0.38,1.17,3.874104597062281,4.300996586578659,4.3682466237827615,4.378894737222247,4.380401195014702,4.3800436276391865,4.382310075648158,4.379012046805458,4.380813869685589,4.379536633562345,first
+273,8.76,94,4.1873812085554534e+17,1.46,0.37843643572024505,193.8,Ring,None,1,0.4322541901636553,0.3560624162156976,1.92,0.9661343883421217,0.8486851871910994,0.8233730664087591,0.8173720503384017,0.8160666830986025,0.8156853745005854,0.8155223116748492,0.8155073688500526,0.8157208145280497,0.8155900108307128,1.36,0.8830671941710613,0.8243425935955501,0.8116865332043799,0.8086860251692012,0.8080333415493015,0.807842687250293,0.8077611558374249,0.8077536844250267,0.8078604072640252,0.8077950054153568,0.1,0.5769328058289389,0.6356574064044501,0.6483134667956203,0.651313974830799,0.6519666584506987,0.6521573127497072,0.6522388441625753,0.6522463155749735,0.652139592735975,0.6522049945846434,third
+270,6.69,99,5.6890312271761464e+16,2.04,0.712949807856125,57.3,Unknown,Enzyme,0,0.003996181840462152,0.0033472497744952956,5.45,4.3477396962761805,3.7438768772018327,3.323714488666083,3.020526822381481,2.7855800685238266,2.599414726015824,2.4479210652466343,2.319417856781684,2.2082765570212435,2.1117215130092277,4.9,4.9,4.9,4.9,4.9,4.9,4.9,4.9,4.9,4.9,4.9,3.17,3.537420101241273,3.7387077075993895,3.8787618371113064,3.979824392539507,4.058139977158725,4.12019509132806,4.170692978251123,4.2135273810727725,4.25057448099292,4.2827594956635915,third
+280,3.84,93,3.6924997200603014e+17,1.74,0.5538851132264376,113.7,Ring,None,0,1.6494201237506128,0.973864608909803,2.37,0.6340685640093029,0.16950017795154726,0.04542181448244481,0.01214932967160071,0.00324918204831692,0.0008709944014514781,0.0002331124391767355,6.231543952151643e-05,1.671392157585191e-05,4.684975591628471e-06,1.96,1.96,1.96,1.96,1.96,1.96,1.96,1.96,1.96,1.96,1.96,4.15,5.885931435990697,6.3504998220484525,6.474578185517555,6.5078506703283985,6.516750817951682,6.519129005598548,6.519766887560822,6.519937684560477,6.519983286078423,6.519995315024407,first
+280,12.26,100,2.6416796753690157e+17,3.44,1.235471471385307,180.0,Unknown,Base,1,0.05834152920994319,0.031118879239494843,4.01,3.9276434592250267,3.8509751750052943,3.779602224270869,3.7131532701662358,3.6512912266571647,3.5937058701869913,3.5401038093537975,3.4902084849104136,3.4437601697644156,3.400515968978129,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,4.09,4.172356540774973,4.249024824994705,4.32039777572913,4.3868467298337634,4.448708773342834,4.506294129813008,4.559896190646201,4.609791515089586,4.656239830235584,4.69948403102187,first
+278,8.75,100,2.683637347091298e+17,1.88,0.6312717768418578,124.9,Linear,Base,0,0.043511730499927494,0.03758486037305171,9.66,5.777661651469834,4.1222558592876455,3.202866906201617,2.6223948135745836,2.216748073797876,1.922262096962306,1.696452379937318,1.5171075105644793,1.3725278069362843,1.2531108755717875,1.04,1.04,1.04,1.04,1.04,1.04,1.04,1.04,1.04,1.04,1.04,0.06,2.0011691742650823,2.828872070356177,3.288566546899191,3.578802593212708,3.7816259631010616,3.9288689515188464,4.041773810031341,4.13144624471776,4.203736096531857,4.263444562214106,second
+279,12.83,98,6.04163040792554e+16,3.59,1.2781522025001875,49.3,Linear,Base,1,0.027091943534994736,0.01852853928606262,2.67,2.6843517703303728,2.698189196478312,2.7115307039980836,2.724394073609238,2.736796469675956,2.748754391737922,2.760283730357267,2.7713998465689906,2.7821175720056694,2.792451208897458,2.51,2.51,2.51,2.51,2.51,2.51,2.51,2.51,2.51,2.51,2.51,4.89,4.875648229669627,4.861810803521688,4.848469296001917,4.8356059263907625,4.823203530324045,4.8112456082620785,4.799716269642733,4.78860015343101,4.7778824279943315,4.767548791102542,first
+275,1.27,91,3.165498062874675e+17,4.59,1.5238800240724537,121.7,Branched,Base,1,1.640214068241341,0.9642698841425236,5.07,1.1231313239449734,1.1241187560196482,1.124703543693928,1.1233348221397688,1.124762371538231,1.1254362240794207,1.1236010154811829,1.1233880009684774,1.1249324014194788,1.1242598581470018,2.82,2.82,2.82,2.82,2.82,2.82,2.82,2.82,2.82,2.82,2.82,1.1,2.4156228920183422,2.4152937479934504,2.41509881876869,2.415555059286743,2.4150792094872555,2.4148545919735254,2.415466328172938,2.4155373330105068,2.415022532860173,2.415246713950999,third
+276,10.2,97,1.528070757581675e+17,0.5,-0.6931471805599453,118.1,Unknown,None,0,0.06693512123057437,0.03491550921383703,2.97,2.2528517580674374,1.8179730755886234,1.5214761203152467,1.3101421072919015,1.1487164204405023,1.02293631798281,0.9229174963417552,0.8404325218751774,0.7710335330363671,0.7122243175031017,2.92,2.92,2.92,2.92,2.92,2.92,2.92,2.92,2.92,2.92,2.92,3.52,3.8785741209662814,4.096013462205688,4.244261939842376,4.349928946354049,4.430641789779749,4.493531841008595,4.543541251829122,4.584783739062412,4.619483233481817,4.64888784124845,second
+273,3.01,95,1.1957559331801736e+17,3.16,1.1505720275988207,122.9,Linear,Base,0,0.0794505061790139,0.041632873919471645,4.56,4.279183386955259,4.015660359986239,3.7683622353838526,3.536276205773154,3.3184835413309295,3.1141162227884713,2.9223497345599916,2.7424030647426214,2.5735387051164116,2.415062651144333,0.57,0.57,0.57,0.57,0.57,0.57,0.57,0.57,0.57,0.57,0.57,0.12,0.12,0.12,0.12,0.12,0.12,0.12,0.12,0.12,0.12,0.12,first
+273,3.46,100,2.1645182180260836e+16,3.67,1.3001916620664788,99.7,Linear,None,1,0.0015889214524871563,0.0011527332653326458,9.61,9.525260497024659,9.451124693529337,9.385949025392756,9.328415627127786,9.27764887402345,9.232837648879515,9.193222277276368,9.15809452757501,9.126797610917064,9.098726181224773,0.4,0.35763024851233005,0.32056234676466916,0.28797451269637864,0.2592078135638933,0.2338244370117255,0.21141882443975818,0.19161113863818396,0.17404726378750482,0.15839880545853222,0.14436309061238733,1.77,1.81236975148767,1.849437653235331,1.8820254873036215,1.9107921864361068,1.9361755629882746,1.9585811755602418,1.9783888613618161,1.9959527362124954,2.011601194541468,2.0256369093876128,third
+276,13.74,91,4.019215785588592e+17,1.09,0.08617769624105241,28.0,Branched,Acid,0,2.4056285953226926,1.9858966721281603,1.94,0.28320031833158615,0.04141168000172084,0.006057023595599661,0.0008861943168755063,0.00012982937213056563,1.884822440619781e-05,2.6701445473256257e-06,2.93713664235446e-07,1.6138657300748378e-07,6.645625400274385e-08,4.9,4.9,4.9,4.9,4.9,4.9,4.9,4.9,4.9,4.9,4.9,0.12,1.7767996816684137,2.0185883199982793,2.0539429764044,2.0591138056831246,2.0598701706278693,2.0599811517755935,2.0599973298554524,2.0599997062863356,2.0599998386134266,2.0599999335437458,first
+280,6.92,91,8.778735923302317e+16,3.65,1.2947271675944,181.5,Branched,Acid,1,0.9258931045649013,0.6198746997907403,3.54,3.297514510912878,3.2294122428054868,3.2086076363031024,3.202985619987637,3.200597390318369,3.2006688164205026,3.1998396647777887,3.199473209246343,3.201247710400291,3.200565353696849,3.23,3.23,3.23,3.23,3.23,3.23,3.23,3.23,3.23,3.23,3.23,4.44,4.682485489087123,4.7505877571945145,4.771392363696898,4.777014380012364,4.7794026096816316,4.779331183579497,4.780160335222211,4.780526790753657,4.778752289599709,4.779434646303152,first
+270,13.35,98,4.220898975246107e+17,4.44,1.4906543764441336,180.8,Ring,Base,0,0.04628928781027216,0.030562972906458468,7.02,6.982968569751782,6.945937139503564,6.908905709255347,6.8718742790071285,6.834842848758911,6.797811418510693,6.760779988262476,6.7237485580142575,6.68671712776604,6.649685697517822,3.36,3.36,3.36,3.36,3.36,3.36,3.36,3.36,3.36,3.36,3.36,4.68,4.717031430248217,4.754062860496435,4.7910942907446525,4.828125720992871,4.865157151241088,4.902188581489306,4.939220011737524,4.976251441985742,5.013282872233959,5.050314302482177,zero
+279,11.28,94,1.5996284343213763e+17,3.6,1.2809338454620642,167.0,Ring,Base,1,0.40236101795429435,0.36189280493713505,9.0,6.040345394461969,5.856825273396203,5.840925473592242,5.8395699140249855,5.8392615588750125,5.839733216559316,5.83956823521268,5.839041025331988,5.839935798328575,5.839848114674996,4.0,1.0403453944619692,0.856825273396203,0.8409254735922426,0.8395699140249856,0.8392615588750122,0.839733216559316,0.8395682352126795,0.839041025331988,0.8399357983285751,0.8398481146749952,2.29,5.249654605538031,5.433174726603797,5.449074526407758,5.4504300859750145,5.4507384411249875,5.450266783440684,5.45043176478732,5.450958974668012,5.450064201671425,5.450151885325004,second
+274,12.18,92,4.671981449818043e+17,3.91,1.3635373739972745,139.2,Branched,Base,0,1.3496756562120538,1.0947915315358856,6.7,2.872843580446111,2.793972508541709,2.790195677590183,2.7900095924932327,2.7900005477149454,2.7899998698070325,2.790000198477673,2.790000974415859,2.790000429590342,2.7900001751389913,3.91,0.08284358044611087,0.003972508541708608,0.00019567759018268352,9.592493232627649e-06,5.477149455898214e-07,-1.30192966760818e-07,1.984776736412959e-07,9.744158597409795e-07,4.2959034258475025e-07,1.7513899211044485e-07,1.1,4.927156419553889,5.0060274914582905,5.009804322409816,5.009990407506765,5.009999452285052,5.010000130192964,5.009999801522323,5.009999025584137,5.009999570409654,5.009999824861004,second
+274,6.88,97,4.3227593916069395e+17,4.99,1.6074359097634274,82.0,Linear,None,1,0.13908108824952387,0.10105752548123126,6.17,1.9472690803781911,1.7282135234281066,1.6934023405108372,1.6874568697206913,1.6860233695994482,1.6856054696442695,1.6860457471237713,1.684531360951663,1.6847237453148651,1.6887856716999583,4.04,1.9286345401890956,1.8191067617140535,1.8017011702554186,1.7987284348603458,1.7980116847997243,1.797802734822135,1.798022873561886,1.7972656804758316,1.7973618726574325,1.799392835849979,4.79,6.901365459810904,7.010893238285947,7.028298829744582,7.0312715651396545,7.031988315200276,7.0321972651778655,7.031977126438115,7.0327343195241685,7.032638127342567,7.0306071641500205,third
+276,13.6,90,3.0598098948432755e+17,4.42,1.4861396960896067,198.8,Branched,None,1,2.831681974381169,1.5406340236955458,6.89,1.5411187434381561,1.5397924364214646,1.5383972767057996,1.5372521144102906,1.5376909030230286,1.5391501354812862,1.5404822492942136,1.539809131474303,1.5383835808240474,1.5389116362251867,2.76,2.76,2.76,2.76,2.76,2.76,2.76,2.76,2.76,2.76,2.76,4.91,6.692960418853948,6.693402521192845,6.693867574431399,6.69424929519657,6.694103032325659,6.69361662150624,6.693172583568598,6.693396956175235,6.693872139725318,6.693696121258273,third
+273,2.82,90,8.475557068033675e+16,4.41,1.4838746894587547,148.3,Ring,Enzyme,1,0.5097242755056112,0.45568217305295833,7.69,1.5136328583991852,1.5143402444858893,1.5127224138113453,1.5148836307371198,1.5130134363132548,1.5130841115384865,1.5154107996039208,1.5128423700648628,1.5143367184874503,1.5140468829730263,2.74,2.74,2.74,2.74,2.74,2.74,2.74,2.74,2.74,2.74,2.74,1.82,3.8787890472002715,3.878553251838037,3.8790925287295512,3.878372123087627,3.8789955212289153,3.878971962820504,3.8781964001320257,3.8790525433117113,3.8785544271708488,3.87865103900899,third
+272,5.45,95,3.6116441777338586e+17,2.94,1.0784095813505903,75.3,Branched,None,0,0.20574527385732946,0.17497440654686816,5.03,4.865403780914137,4.700807561828273,4.53621134274241,4.371615123656547,4.207018904570683,4.042422685484819,3.8778264663989552,3.7132302473130916,3.548634028227228,3.384037809141364,0.89,0.89,0.89,0.89,0.89,0.89,0.89,0.89,0.89,0.89,0.89,4.7,4.864596219085864,5.0291924381717275,5.19378865725759,5.358384876343454,5.5229810954293175,5.687577314515181,5.852173533601045,6.016769752686909,6.181365971772772,6.3459621908586366,zero
+280,3.73,96,2.9385572835169165e+17,4.45,1.4929040961781488,135.9,Linear,Base,0,0.361799455216578,0.303773535536175,8.11,0.7570220984713596,0.5363595754320629,0.4382398955460521,0.37996168734983127,0.33966078921727877,0.3102076023888169,0.28734378174033026,0.26871384517025665,0.25331562142882513,0.24029090688934565,1.98,1.98,1.98,1.98,1.98,1.98,1.98,1.98,1.98,1.98,1.98,0.72,3.1709926338428795,3.244546808189312,3.2772533681513156,3.296679437550056,3.3101130702609067,3.3199307992037275,3.327552072753223,3.3337620516099142,3.338894792857058,3.343236364370218,third
+278,5.19,90,1.237483303423596e+17,1.82,0.598836501088704,66.6,Ring,Base,0,1.5185658317379283,1.2513296664586029,1.73,0.3332830781672335,0.18460111285209047,0.1276305623394192,0.09743884319211105,0.07886631089326784,0.06619916252519589,0.05710851992861557,0.05014222305594534,0.04470831446939905,0.04034056848958406,3.63,3.63,3.63,3.63,3.63,3.63,3.63,3.63,3.63,3.63,3.63,0.78,1.4783584609163831,1.5526994435739547,1.5811847188302903,1.5962805784039444,1.605566844553366,1.611900418737402,1.6164457400356922,1.6199288884720273,1.6226458427653006,1.624829715755208,second
+280,12.28,91,3.581579651902605e+17,1.5,0.4054651081081644,157.6,Branched,None,0,3.777491351965778,3.2448410507413468,2.81,0.04547371223839597,0.023139214108238673,0.01553146447624731,0.011697223670490281,0.009379988442176026,0.007828181951573303,0.006714574134710331,0.00588697388155141,0.005234546193507649,0.004711728460906093,4.91,3.5277368561191977,3.5165696070541195,3.5127657322381234,3.510848611835245,3.509689994221088,3.5089140909757863,3.5083572870673545,3.5079434869407753,3.5076172730967534,3.507355864230453,4.89,6.272263143880801,6.28343039294588,6.287234267761876,6.289151388164755,6.290310005778912,6.291085909024214,6.291642712932645,6.292056513059225,6.292382726903246,6.292644135769547,third
+278,13.35,94,2.981296208528608e+17,2.53,0.9282193027394288,54.8,Branched,Base,0,0.6481786244303619,0.559774375132795,7.4,6.881457100455711,6.362914200911422,5.844371301367132,5.325828401822843,4.807285502278553,4.288742602734263,3.770199703189974,3.251656803645685,2.733113904101396,2.214571004557107,4.95,4.95,4.95,4.95,4.95,4.95,4.95,4.95,4.95,4.95,4.95,2.18,2.6985428995442895,3.2170857990885793,3.735628698632869,4.254171598177159,4.772714497721448,5.2912573972657375,5.809800296810026,6.328343196354316,6.846886095898605,7.365428995442894,zero
+279,5.71,100,2.3862626966213414e+17,0.84,-0.1743533871447778,158.0,Ring,Enzyme,1,0.04518027522889284,0.03271535121051624,2.7,1.6494340784518713,1.2961887664390153,1.1345343829210763,1.0492754719438693,1.0027456699624464,0.9755297303266581,0.9603127421126794,0.9508309923361804,0.9453641821531819,0.9422893731861801,4.27,3.7447170392259355,3.5680943832195076,3.4872671914605378,3.4446377359719342,3.4213728349812227,3.4077648651633288,3.4001563710563394,3.3954154961680896,3.3926820910765905,3.3911446865930897,3.23,3.7552829607740645,3.9319056167804924,4.012732808539462,4.055362264028066,4.078627165018776,4.09223513483667,4.09984362894366,4.1045845038319095,4.1073179089234095,4.10885531340691,third
+274,4.39,94,4.58033851888299e+17,0.97,-0.030459207484708574,128.4,Linear,Acid,1,0.5499679312372644,0.4322410636181718,4.15,3.6876743394243428,3.4819633185134915,3.385597010141162,3.3414338465902333,3.321911671622577,3.3126829647099534,3.308278034517557,3.307070638587523,3.3058852052958874,3.3053900001167746,4.41,4.41,4.41,4.41,4.41,4.41,4.41,4.41,4.41,4.41,4.41,3.36,3.822325660575658,4.028036681486509,4.124402989858839,4.168566153409767,4.1880883283774235,4.197317035290047,4.201721965482443,4.202929361412477,4.204114794704112,4.204609999883225,first
+271,8.18,95,2.585491928629535e+17,2.97,1.0885619528146082,114.8,Unknown,Base,1,0.1261379243517573,0.07167711959217578,4.19,4.034414760230563,3.9016067620690658,3.788170378981912,3.6908567324787103,3.607712102624146,3.537049994908998,3.47720626694921,3.426539128485893,3.383429141385321,3.3462792196389346,3.52,3.52,3.52,3.52,3.52,3.52,3.52,3.52,3.52,3.52,3.52,4.44,4.595585239769438,4.728393237930935,4.841829621018088,4.93914326752129,5.022287897375854,5.092950005091002,5.15279373305079,5.203460871514107,5.246570858614679,5.283720780361065,first
+273,10.25,92,3.041904235324127e+17,2.96,1.085189268335969,44.4,Unknown,Base,1,0.7579270830985275,0.6269749648879569,9.72,7.362744823047059,6.583394993651786,6.325361595215978,6.239242033701759,6.21205378920091,6.202504278528625,6.199430112477651,6.197928811616212,6.198917526819448,6.198141828796513,0.19,0.19,0.19,0.19,0.19,0.19,0.19,0.19,0.19,0.19,0.19,3.97,6.327255176952942,7.106605006348215,7.364638404784023,7.450757966298243,7.477946210799091,7.487495721471376,7.4905698875223505,7.49207118838379,7.491082473180553,7.491858171203488,first
+276,6.17,97,1.8336540493894182e+17,3.82,1.3402504226184837,149.5,Linear,None,0,0.08032079370791448,0.05825567108506189,8.67,4.110363297120939,2.692041186912837,2.0014304824679092,1.5946698851462253,1.3229671455714753,1.1322933386621468,0.9886723869394107,0.8770934833546083,0.7889504666731497,0.7169126421966043,2.88,2.88,2.88,2.88,2.88,2.88,2.88,2.88,2.88,2.88,2.88,2.82,5.099818351439531,5.808979406543582,6.154284758766045,6.357665057426887,6.493516427214263,6.588853330668926,6.6606638065302946,6.716453258322696,6.760524766663425,6.796543678901698,second
+271,2.93,97,7.1089989445384456e+16,0.8,-0.2231435513142097,22.7,Unknown,Acid,0,0.014275835089675977,0.012146577347540334,9.69,9.542331563417537,9.411829795708703,9.295997909716185,9.192928828403812,9.101226679711823,9.019584940119614,8.946785224996365,8.881697288601059,8.82327902408246,8.770576463479138,1.42,1.2723315634175392,1.1418297957087051,1.0259979097161855,0.922928828403813,0.8312266797118253,0.7495849401196149,0.6767852249963667,0.611697288601059,0.5532790240824617,0.5005764634791381,1.11,1.2576684365824609,1.3881702042912947,1.5040020902838145,1.6070711715961872,1.6987733202881747,1.7804150598803852,1.8532147750036332,1.918302711398941,1.9767209759175384,2.029423536520862,second
+276,9.04,90,5.003617566803034e+16,1.93,0.6575200029167941,191.1,Linear,Base,0,0.46305666552983155,0.3242577957067862,5.99,1.1044602772308376,0.6084771211965923,0.41999774781071425,0.3206608677055252,0.25913172808570045,0.21764523235053496,0.18751825789395896,0.16461427481048346,0.14687303745809865,0.13256210232836785,0.21,0.21,0.21,0.21,0.21,0.21,0.21,0.21,0.21,0.21,0.21,2.0,4.442769861384582,4.6907614394017045,4.785001126094643,4.834669566147237,4.865434135957149,4.886177383824732,4.90124087105302,4.912692862594758,4.92156348127095,4.928718948835815,second
+273,11.21,90,1.0656411858382877e+17,2.8,1.0296194171811581,140.0,Branched,Base,1,0.640881982199171,0.3724028627680132,5.28,4.148060920120796,3.6478821015468275,3.4249491486164234,3.3247774537135504,3.2807888586088225,3.2610935409613426,3.2524676876465275,3.2480842285899834,3.2472097643321765,3.2461232790836094,2.02,2.02,2.02,2.02,2.02,2.02,2.02,2.02,2.02,2.02,2.02,3.55,4.681939079879204,5.182117898453173,5.405050851383578,5.505222546286451,5.549211141391178,5.568906459038658,5.5775323123534735,5.581915771410017,5.582790235667825,5.583876720916391,first
+278,9.21,96,3.9359933873405056e+17,3.2,1.1631508098056809,27.2,Unknown,Acid,0,0.36019824107736703,0.2876412016581207,2.64,1.0475246438075518,0.6536195241718601,0.4752861196598801,0.3735998921651916,0.3073737255125968,0.2613876745290943,0.22732236649162102,0.20095282046585816,0.1802027283872517,0.16334593163507283,0.34,0.34,0.34,0.34,0.34,0.34,0.34,0.34,0.34,0.34,0.34,0.01,0.8062376780962242,1.00319023791407,1.0923569401700601,1.1432000539174043,1.1763131372437017,1.1993061627354529,1.2163388167541895,1.2295235897670709,1.2398986358063742,1.2483270341824635,second
+278,10.94,93,3.741310239081944e+17,4.55,1.5151272329628591,179.4,Unknown,None,0,1.2537601855737308,0.6305432917431623,5.48,0.40720372938686844,0.28852831436791443,0.23556629364094167,0.2041119723741653,0.18253372611010568,0.16676370057297984,0.15431574203887544,0.14432894533485047,0.13612739560251053,0.1291685108464716,1.24,1.24,1.24,1.24,1.24,1.24,1.24,1.24,1.24,1.24,1.24,4.97,6.660932090204377,6.700490561877362,6.718144568786353,6.728629342541945,6.735822091296631,6.741078766475673,6.7452280859870415,6.7485570182217165,6.751290868132497,6.753610496384509,third
+273,1.82,92,2.4057011898050973e+17,4.59,1.5238800240724537,171.1,Branched,Base,0,0.5994094305869395,0.3502826534682508,7.27,0.5886068793525593,0.41710833784918167,0.34059579947159624,0.29519937953984793,0.26393854384344256,0.24115403918879538,0.22319931431575693,0.20873916210871818,0.1968347709209282,0.18674792393062167,3.57,3.57,3.57,3.57,3.57,3.57,3.57,3.57,3.57,3.57,3.57,2.09,4.317131040215813,4.374297220716939,4.399801400176134,4.414933540153383,4.425353818718851,4.432948653603734,4.438933561894747,4.4437536126304265,4.4477217430263565,4.451084025356459,third
+280,3.05,94,1.2831831487039173e+17,2.5,0.9162907318741551,72.5,Linear,Acid,0,0.3730271498402378,0.26964840537756685,3.1,0.48323559116728176,0.2763660828170998,0.19485246235219117,0.15076220291925244,0.12329873556724161,0.10418680332750332,0.09038077198931932,0.07979363612718639,0.0714029325656463,0.06462034468362754,3.98,2.671617795583641,2.5681830414085502,2.5274262311760958,2.5053811014596263,2.491649367783621,2.482093401663752,2.47519038599466,2.4698968180635936,2.4657014662828236,2.462310172341814,2.68,3.988382204416359,4.09181695859145,4.132573768823905,4.154618898540374,4.16835063221638,4.177906598336249,4.18480961400534,4.190103181936407,4.194298533717177,4.197689827658187,third
+280,4.4,92,1.1074532509771984e+17,3.05,1.1151415906193203,170.1,Ring,Enzyme,0,0.7601429004361425,0.5976629697087961,4.37,3.7618856796510856,3.1537713593021706,2.5456570389532573,1.9375427186043435,1.3294283982554291,0.7213140779065141,0.11319975755760003,-0.4949145627913145,-1.1030288831402295,-1.7111432034891454,4.93,4.93,4.93,4.93,4.93,4.93,4.93,4.93,4.93,4.93,4.93,4.01,4.618114320348914,5.22622864069783,5.834342961046742,6.442457281395656,7.05057160174457,7.658685922093486,8.2668002424424,8.874914562791314,9.483028883140229,10.091143203489146,zero
+277,10.3,91,2.7601852500431338e+17,1.82,0.598836501088704,151.4,Unknown,None,0,1.90634748211955,1.0964430431126155,4.99,2.2702822823362423,2.269999769591235,2.2699993072811866,2.2700021191584,2.2700005900897473,2.2700004353526158,2.270001625088705,2.2699978485414083,2.2700010630250147,2.270000690083625,1.36,0.00014114116812104894,-1.1520438258549775e-07,-3.4635940678033747e-07,1.0595791998045534e-06,2.950448731704374e-07,2.1767630754964124e-07,8.125443522927089e-07,-1.0757292962663585e-06,5.315125070579941e-07,3.450418120820599e-07,4.82,6.179858858831881,6.180000115204384,6.180000346359408,6.179998940420801,6.179999704955127,6.1799997823236925,6.179999187455648,6.1800010757292965,6.179999468487493,6.179999654958188,third
+270,11.66,99,4.9513070283202394e+17,4.78,1.5644405465033646,83.3,Unknown,Base,0,0.03477977610424765,0.0235616572998565,2.57,2.419219489406533,2.2862758862051313,2.168043912699054,2.062188990190129,1.9671421247202288,1.8814742245868303,1.8038848715047746,1.733202320606263,1.668383500440859,1.6085140129754882,2.25,2.0992194894065332,1.9662758862051315,1.8480439126990542,1.7421889901901293,1.647142124720229,1.5614742245868305,1.4838848715047748,1.4132023206062632,1.348383500440859,1.2885140129754884,1.63,1.7807805105934664,1.9137241137948684,2.0319560873009457,2.1378110098098704,2.232857875279771,2.3185257754131694,2.396115128495225,2.4667976793937365,2.531616499559141,2.5914859870245115,second
+275,10.6,98,3.7005667406018656e+17,4.34,1.4678743481123135,27.2,Ring,None,1,0.08975727967841379,0.04938036639658451,9.24,1.8341677784998685,1.6404826024830583,1.6093734959175383,1.6034218182395725,1.602296809730588,1.602612521945988,1.6013829340283474,1.6029228062612209,1.6023856729355956,1.6025057071108197,4.48,4.48,4.48,4.48,4.48,4.48,4.48,4.48,4.48,4.48,4.48,4.93,7.398610740500043,7.463172465838981,7.473542168027487,7.47552606058681,7.475901063423138,7.475795826018005,7.476205688657219,7.475692397912928,7.475871442354802,7.475831430963061,third
+279,9.85,94,3.494960611482768e+17,0.71,-0.342490308946776,166.0,Ring,None,0,0.8791015958296269,0.5872885937303283,7.69,3.8023519041222853,1.8849826240204326,0.934599439377265,0.4625368826933648,0.22896612483593967,0.1135148220398835,0.05625354374118462,0.02782924324571236,0.01378588492428055,0.006836703272315144,4.93,4.93,4.93,4.93,4.93,4.93,4.93,4.93,4.93,4.93,4.93,4.28,4.28,4.28,4.28,4.28,4.28,4.28,4.28,4.28,4.28,4.28,first
+275,5.97,100,2.4118063454880776e+16,3.88,1.355835153635182,199.7,Branched,Acid,1,0.0024391688354457497,0.0012334833523027818,5.17,5.160724527814714,5.151476268099672,5.142255141018724,5.133061066969521,5.123893966582799,5.114753760724583,5.105640370492032,5.09655371721276,5.087493722444841,5.078460307976805,0.08,0.08,0.08,0.08,0.08,0.08,0.08,0.08,0.08,0.08,0.08,0.81,0.8192754721852863,0.8285237319003276,0.8377448589812755,0.8469389330304794,0.8561060334172004,0.8652462392754166,0.8743596295079684,0.8834462827872401,0.8925062775551589,0.9015396920231955,first
+278,3.23,92,4.8287000104711104e+17,4.05,1.3987168811184478,142.1,Ring,Base,0,2.4941476043384,1.5281868481544592,4.47,0.13709640412442275,0.07297612453272828,0.049901370399248905,0.03794664874655741,0.030624870108035888,0.025694147969096442,0.022135781937260932,0.019426275618314472,0.017328400017479074,0.015642464290985977,3.8,1.6335482020622114,1.601488062266364,1.5899506851996246,1.5839733243732788,1.580312435054018,1.5778470739845483,1.5760678909686305,1.5747131378091572,1.5736642000087395,1.572821232145493,0.04,2.2064517979377882,2.2385119377336355,2.2500493148003753,2.256026675626721,2.259687564945982,2.2621529260154514,2.2639321090313693,2.265286862190843,2.2663357999912606,2.267178767854507,third
+277,11.9,98,2.1018301207963804e+16,4.38,1.4770487243883548,98.2,Unknown,Acid,0,0.0069471202739037514,0.00436548404016853,7.99,7.819810754364896,7.660259281205884,7.510410453082177,7.3694293196588765,7.236604444816795,7.111287209106193,6.992883871565339,6.880855569720512,6.774718319586002,6.674043015664109,3.96,3.789810754364896,3.630259281205884,3.4804104530821762,3.339429319658875,3.206604444816794,3.081287209106192,2.962883871565338,2.8508555697205114,2.7447183195860014,2.6440430156641086,4.03,4.200189245635104,4.359740718794116,4.509589546917823,4.650570680341124,4.783395555183205,4.908712790893808,5.0271161284346615,5.139144430279488,5.2452816804139974,5.345956984335891,second
+273,12.48,94,3.7203557054039514e+17,2.38,0.8671004876833833,54.2,Ring,Enzyme,0,0.38404417044104977,0.2989527280679033,7.49,5.508720028402906,4.050384045166172,2.9784915371831193,2.192513404955617,1.611796610417873,1.1852632858125345,0.8728845057012657,0.6418752528432505,0.4720817770061295,0.34744656005326163,2.8,2.8,2.8,2.8,2.8,2.8,2.8,2.8,2.8,2.8,2.8,1.36,3.3412799715970944,4.799615954833828,5.871508462816881,6.657486595044384,7.238203389582127,7.664736714187466,7.977115494298735,8.208124747156749,8.37791822299387,8.502553439946738,first
+278,1.11,97,4.18869702624392e+17,3.95,1.3737155789130306,70.9,Unknown,Base,0,0.2486938246221069,0.17103165987525212,4.01,3.2865310816923694,2.693610074699169,2.2065692568867252,1.8071579258511807,1.4812057144178943,1.2154398035782528,0.9974835049218123,0.817529583484532,0.6700398915436838,0.5491827952693882,5.0,5.0,5.0,5.0,5.0,5.0,5.0,5.0,5.0,5.0,5.0,1.29,1.29,1.29,1.29,1.29,1.29,1.29,1.29,1.29,1.29,1.29,first
+279,3.99,99,1.9713590277979046e+17,3.37,1.2149127443642704,108.7,Branched,Acid,0,0.057441270862269855,0.04577097626832004,6.96,6.914046983310184,6.868093966620369,6.822140949930552,6.776187933240736,6.730234916550921,6.684281899861104,6.6383288831712886,6.592375866481473,6.546422849791657,6.500469833101841,1.78,1.78,1.78,1.78,1.78,1.78,1.78,1.78,1.78,1.78,1.78,0.71,0.7559530166898158,0.8019060333796317,0.8478590500694476,0.8938120667592635,0.9397650834490794,0.9857181001388953,1.0316711168287112,1.0776241335185273,1.123577150208343,1.1695301668981588,zero
+270,13.88,95,4.596229558952156e+17,0.63,-0.4620354595965587,180.2,Unknown,Acid,0,0.191815237311298,0.15478123013923434,3.75,3.216527993071918,2.7589542531638767,2.3658471252393483,2.0280143527957635,1.738725441779358,1.4915839064466738,1.2805047825864375,1.099714627519564,0.9437951741630071,0.8095325831375355,3.05,3.05,3.05,3.05,3.05,3.05,3.05,3.05,3.05,3.05,3.05,4.69,4.69,4.69,4.69,4.69,4.69,4.69,4.69,4.69,4.69,4.69,first
+275,7.57,94,2.6625482294373482e+17,4.93,1.5953389880545987,198.7,Ring,Acid,1,0.37145221007591755,0.2096089459119332,6.48,4.428015323195276,4.426160513077948,4.4260692268654305,4.426037669155659,4.426142476749392,4.426168111047341,4.426154691535228,4.42642469997535,4.42625858000199,4.426234568384534,1.1,0.07400766159763787,0.07308025653897395,0.07303461343271532,0.07301883457782993,0.07307123837469612,0.07308405552367007,0.07307734576761343,0.07321234998767402,0.07312929000099459,0.07311728419226636,1.51,2.5359923384023624,2.5369197434610262,2.536965386567285,2.536981165422171,2.5369287616253042,2.53691594447633,2.5369226542323866,2.5367876500123256,2.5368707099990053,2.5368827158077334,third
+276,8.82,91,3.3868388636787955e+17,4.65,1.536867219599265,45.7,Branched,Base,0,2.0271308764833518,1.8078900731454004,9.56,7.938295298813319,6.3165905976266385,4.694885896439956,3.0731811952532753,1.4514764940665934,-0.1702282071200898,-1.791932908306772,-3.413637609493459,-5.035342310680142,-6.6570470118668235,4.43,4.43,4.43,4.43,4.43,4.43,4.43,4.43,4.43,4.43,4.43,2.35,3.971704701186683,5.5934094023733625,7.215114103560044,8.836818804746725,10.458523505933407,12.08022820712009,13.701932908306773,15.32363760949346,16.945342310680143,18.567047011866826,zero
+270,11.38,93,1.8141161084916192e+17,1.03,0.02955880224154443,150.4,Unknown,Base,0,0.18453710601563295,0.13768889458005285,2.46,2.1223656771897064,1.8310487669134394,1.579324213097423,1.3621328210565813,1.1751032695394088,1.0141523896098648,0.8754851646473738,0.7555961014300512,0.651890181511603,0.5624194814652813,1.46,1.46,1.46,1.46,1.46,1.46,1.46,1.46,1.46,1.46,1.46,1.0,1.3376343228102936,1.628951233086561,1.8806757869025774,2.097867178943419,2.2848967304605914,2.4458476103901354,2.5845148353526266,2.7044038985699497,2.8081098184883975,2.897580518534719,first
+279,2.16,92,1.345286504089529e+17,2.27,0.8197798314933114,22.3,Linear,Base,1,0.8014325105172866,0.498671303307574,5.21,1.6508169261347008,1.6318475002412818,1.631160150853167,1.6331408160799168,1.6314454042618869,1.630825110569646,1.6336567490608551,1.630788372444403,1.6323485482494946,1.6333632103812281,3.97,3.97,3.97,3.97,3.97,3.97,3.97,3.97,3.97,3.97,3.97,2.49,4.26959153693265,4.279076249879359,4.279419924573416,4.278429591960042,4.279277297869057,4.279587444715177,4.2781716254695725,4.279605813777798,4.278825725875253,4.278318394809386,second
+270,12.25,99,3.8061579029912646e+17,0.51,-0.6733445532637656,198.4,Ring,Base,0,0.026735833372134615,0.021110744419977595,7.33,7.308611333302292,7.287222666604585,7.265833999906877,7.244445333209169,7.223056666511462,7.201667999813754,7.180279333116046,7.158890666418339,7.137501999720631,7.1161133330229225,1.35,1.35,1.35,1.35,1.35,1.35,1.35,1.35,1.35,1.35,1.35,0.15,0.1713886666977077,0.1927773333954154,0.21416600009312306,0.23555466679083076,0.25694333348853843,0.27833200018624615,0.2997206668839538,0.32110933358166155,0.3424980002793693,0.36388666697707694,zero
+276,12.94,96,6.174649180157312e+16,1.73,0.5481214085096876,168.5,Ring,None,0,0.041820156589178606,0.024583730049435724,6.52,4.542386344782628,3.495058571011609,2.835028838368613,2.382512774464951,2.0561301516490844,1.8097097043516792,1.6137351623184228,1.456618941399035,1.328402631565062,1.2207630427024074,0.34,0.34,0.34,0.34,0.34,0.34,0.34,0.34,0.34,0.34,0.34,2.95,3.938806827608686,4.462470714494196,4.792485580815694,5.018743612767525,5.181934924175458,5.305145147824161,5.403132418840789,5.481690529300484,5.54579868421747,5.5996184786487975,second
+280,2.24,91,1.649647937568153e+17,3.31,1.1969481893889715,65.7,Linear,Acid,1,1.7398833541623369,1.5033941096914158,8.1,6.367336943900133,6.368206628002009,6.366754994272802,6.36735478782894,6.367253221985497,6.3668912000008495,6.367883035707762,6.366839301724022,6.366790666380837,6.367680120227259,2.5,0.7673369439001324,0.7682066280020088,0.7667549942728006,0.767354787828938,0.7672532219854952,0.7668912000008474,0.7678830357077595,0.7668393017240209,0.766790666380836,0.7676801202272581,3.92,5.6526630560998665,5.65179337199799,5.6532450057271975,5.65264521217106,5.652746778014502,5.65310879999915,5.6521169642922375,5.653160698275977,5.653209333619163,5.65231987977274,second
+276,2.43,90,1.9082473078789312e+17,4.85,1.5789787049493917,59.1,Branched,Base,1,1.7659755638704262,0.933198859785831,1.64,0.6529110923609326,0.6520112173495607,0.6526064304043359,0.6525350222324939,0.6520874559023735,0.6524940988369597,0.6527697772097754,0.6525565496445191,0.6534967042512284,0.653041032814067,2.78,2.2864555461804663,2.2860056086747806,2.2863032152021683,2.2862675111162476,2.2860437279511876,2.2862470494184812,2.2863848886048888,2.2862782748222608,2.2867483521256156,2.2865205164070344,1.35,1.8435444538195336,1.8439943913252195,1.843696784797832,1.843732488883753,1.8439562720488134,1.8437529505815202,1.8436151113951125,1.8437217251777407,1.8432516478743861,1.8434794835929669,third
+278,11.2,94,4.156421241106025e+17,3.56,1.269760544863939,168.6,Ring,Enzyme,0,0.9036684764520233,0.4874500716747336,1.95,0.9460551074097607,0.45923825341610036,0.22313531561681743,0.10844813769557377,0.05261484558314191,0.025545096100717694,0.012418402982914571,0.0060346266540205785,0.002927334842642413,0.0014232355787105184,0.28,0.28,0.28,0.28,0.28,0.28,0.28,0.28,0.28,0.28,0.28,1.36,2.363944892590239,2.8507617465838995,3.0868646843831824,3.2015518623044263,3.257385154416858,3.2844549038992823,3.2975815970170856,3.3039653733459797,3.307072665157358,3.30857676442129,first
+280,7.57,98,8.147197773268118e+16,1.5,0.4054651081081644,101.4,Unknown,Acid,0,0.042483859062761274,0.028179914858146964,3.66,2.9306195215058772,2.4447637906696635,2.095546840841497,1.836325307415921,1.634015470068257,1.4701854781081507,1.3368349056394409,1.2265078319464462,1.1328958885926377,1.0518984867800072,4.4,4.4,4.4,4.4,4.4,4.4,4.4,4.4,4.4,4.4,4.4,2.77,3.1346902392470612,3.377618104665168,3.5522265795792514,3.6818373462920397,3.7829922649658716,3.8649072609459245,3.9315825471802794,3.9867460840267768,4.033552055703681,4.074050756609997,second
+273,1.2,100,1.4544547479687584e+17,4.22,1.4398351280479205,173.8,Linear,Acid,1,0.010676807113348638,0.006843113704486748,3.48,3.4598335493838275,3.439947778901161,3.4203387820507527,3.40100270611805,3.3819357517229056,3.36313417513577,3.344594283438456,3.3263124339698082,3.308285034325703,3.2905085423590483,3.04,3.04,3.04,3.04,3.04,3.04,3.04,3.04,3.04,3.04,3.04,1.72,1.7401664506161723,1.7600522210988387,1.7796612179492473,1.79899729388195,1.8180642482770943,1.83686582486423,1.855405716561544,1.873687566030192,1.8917149656742973,1.9094914576409516,first
+277,12.61,100,2.4904071755311764e+16,1.96,0.6729444732424258,25.2,Branched,Enzyme,0,0.003453969741873178,0.0018272268430883296,9.26,9.234448310314747,9.208967126984081,9.183556255456374,9.158215501715498,9.13294467228047,9.107743574204049,9.082612015074048,9.057549803007872,9.032556746650979,9.007632655176884,3.73,3.73,3.73,3.73,3.73,3.73,3.73,3.73,3.73,3.73,3.73,3.31,3.31,3.31,3.31,3.31,3.31,3.31,3.31,3.31,3.31,3.31,first
+271,10.27,97,2.5546905339789338e+17,1.61,0.4762341789963717,148.1,Linear,None,0,0.05130165449842723,0.025803959191631986,9.98,3.608528337786416,2.7255107681948996,2.312621462968454,2.0625920858419327,1.89170405351863,1.7652618503165793,1.6667753625182085,1.5883671835002109,1.5237870366937813,1.4690658513489843,4.54,1.354264168893208,0.91275538409745,0.7063107314842272,0.5812960429209666,0.4958520267593153,0.43263092515828994,0.38338768125910455,0.34418359175010577,0.31189351834689094,0.28453292567449234,4.72,7.905735831106792,8.34724461590255,8.553689268515773,8.678703957079035,8.764147973240686,8.82736907484171,8.876612318740897,8.915816408249896,8.94810648165311,8.975467074325508,third
+271,6.29,97,4.695444600668233e+17,1.15,0.13976194237515863,112.8,Unknown,None,1,0.09429090272034243,0.07483861342091229,2.67,2.280179541955526,2.018818135037952,1.8366014986853987,1.7064057350956872,1.6101483343726688,1.5389084442783798,1.4856793286754424,1.4449668172117813,1.4139135838399965,1.3901479540160042,2.58,2.1901795419555263,1.9288181350379519,1.7466014986853988,1.6164057350956873,1.520148334372669,1.44890844427838,1.3956793286754425,1.3549668172117815,1.3239135838399967,1.3001479540160044,0.65,1.0398204580444739,1.3011818649620481,1.4833985013146012,1.6135942649043127,1.709851665627331,1.78109155572162,1.8343206713245575,1.8750331827882185,1.9060864161600033,1.9298520459839956,second
+272,1.13,99,1.3839863869498117e+17,2.69,0.9895411936137477,20.6,Linear,Base,0,0.013445362487320296,0.009259522154982045,4.63,3.768458663636623,3.257409493190264,2.901607957152172,2.6399648550471264,2.4345121683284225,2.2694886200672113,2.133846212429145,2.0187126355528235,1.918817619478383,1.8317036815398908,2.53,2.0992293318183113,1.843704746595132,1.6658039785760859,1.534982427523563,1.4322560841642111,1.3497443100336055,1.2819231062145724,1.2243563177764116,1.1744088097391914,1.1308518407699453,3.19,3.6207706681816885,3.876295253404868,4.054196021423914,4.185017572476437,4.287743915835789,4.3702556899663945,4.438076893785428,4.495643682223588,4.545591190260809,4.589148159230055,third
+279,9.28,92,8.099370676515571e+16,2.93,1.075002423028976,101.2,Ring,Acid,1,0.48250680841275906,0.28834411276137895,4.42,1.5247285873687437,1.3849780961077782,1.3721478142795163,1.3708384016530382,1.3703673531841989,1.3716313553470119,1.3701729118692225,1.370202594335276,1.3729760770985002,1.3712734537623548,3.18,3.18,3.18,3.18,3.18,3.18,3.18,3.18,3.18,3.18,3.18,1.62,3.0676357063156283,3.137510951946111,3.1439260928602417,3.1445807991734807,3.1448163234079,3.1441843223264936,3.144913544065388,3.1448987028323616,3.1435119614507494,3.1443632731188225,second
+273,10.49,95,2.7170162498270426e+17,0.67,-0.40047756659712525,46.2,Ring,Enzyme,0,0.18052874366364371,0.1276668687147082,6.35,5.49606106364425,4.7568314909702085,4.116203156649548,3.5618956453491557,3.082950323069461,2.6692006157696517,2.311272009367679,2.000720792264418,1.7316649440814675,1.4987975666496731,4.32,4.32,4.32,4.32,4.32,4.32,4.32,4.32,4.32,4.32,4.32,1.56,2.41393893635575,3.1531685090297916,3.7937968433504516,4.348104354650845,4.827049676930539,5.240799384230348,5.598727990632321,5.909279207735582,6.178335055918533,6.411202433350327,first
+271,7.68,92,1.9955849438802483e+17,3.34,1.205970806988609,120.4,Ring,Enzyme,0,0.36866918962835626,0.21204116242901236,8.4,1.4151362664790201,0.7719832404975251,0.5309931194482664,0.40498594027872703,0.3269828001197216,0.27443751222309964,0.23613318823554902,0.20750714616408938,0.1849971577903993,0.16679583397088932,4.7,4.7,4.7,4.7,4.7,4.7,4.7,4.7,4.7,4.7,4.7,1.88,5.372431866760491,5.694008379751238,5.814503440275867,5.877507029860637,5.91650859994014,5.942781243888451,5.961933405882226,5.976246426917956,5.987501421104801,5.996602083014555,second
+274,7.29,94,2.1250443444356045e+17,2.72,1.000631880307906,69.1,Linear,None,0,0.2551571760642947,0.14753929795014384,7.16,4.854550769531567,4.228356517547573,3.9916697192140935,3.8914929019969087,3.847065774093011,3.826946380145073,3.8177674836662328,3.8135677364123315,3.8116412447286327,3.810755014155926,3.35,1.044550769531568,0.41835651754757414,0.18166971921409492,0.08149290199691037,0.037065774093012836,0.01694638014507446,0.00776748366623406,0.0035677364123329995,0.001641244728634333,0.0007550141559278095,0.35,2.6554492304684323,3.281643482452426,3.5183302807859054,3.61850709800309,3.6629342259069873,3.6830536198549253,3.6922325163337657,3.696432263587667,3.6983587552713657,3.6992449858440724,second
+271,7.55,100,2.5272700786110336e+17,0.8,-0.2231435513142097,147.7,Branched,Acid,1,0.013402338929918987,0.008195821971911524,3.79,3.7122580341753775,3.6397869223822403,3.572122225566407,3.5088467007499458,3.4496061794403565,3.394078325635336,3.3419671320163475,3.293002919948621,3.246942339481153,3.203568369346709,2.3,2.2222580341753773,2.14978692238224,2.082122225566407,2.0188467007499455,1.9596061794403563,1.9040783256353357,1.8519671320163473,1.8030029199486206,1.756942339481153,1.7135683693467085,1.97,2.0477419658246228,2.12021307761776,2.1878777744335927,2.251153299250054,2.3103938205596433,2.365921674364664,2.4180328679836522,2.466997080051379,2.5130576605188466,2.556431630653291,second
+279,5.63,90,2.023881611180572e+16,4.69,1.545432582458188,38.5,Unknown,Enzyme,1,0.285556902557073,0.1983975177930608,8.51,7.599289904193862,7.487290938724316,7.472398077283677,7.470326923808957,7.469915111437063,7.469816811880802,7.470011686842905,7.469697528977947,7.470329518810501,7.47005926467317,1.6,0.6892899041938613,0.5772909387243166,0.5623980772836777,0.5603269238089574,0.5599151114370636,0.5598168118808026,0.5600116868429056,0.5596975289779472,0.5603295188105014,0.5600592646731698,4.98,5.8907100958061385,6.002709061275684,6.017601922716323,6.019673076191043,6.020084888562937,6.020183188119198,6.0199883131570955,6.020302471022053,6.019670481189499,6.019940735326831,second
+279,13.89,93,4.849283080581559e+17,3.85,1.3480731482996928,46.7,Branched,Acid,0,1.8771631225782817,0.9848541704848017,2.66,2.591399690899487,2.5900288544298227,2.5900005068949974,2.590000076568413,2.59000025925745,2.59000079725539,2.590000147165599,2.589999375165997,2.5900000485406016,2.590000178243253,0.07,0.0013996908994872777,2.88544298233324e-05,5.068949977888506e-07,7.656841322207766e-08,2.59257450302841e-07,7.972553902974824e-07,1.4716559885059025e-07,-6.248340028090448e-07,4.854060158987337e-08,1.7824325307911154e-07,0.1,0.16860030910051274,0.1699711455701767,0.16999949310500223,0.16999992343158682,0.16999974074254973,0.16999920274460972,0.16999985283440117,0.17000062483400283,0.16999995145939842,0.1699998217567469,second
+278,2.97,90,2.895646874665423e+17,2.22,0.7975071958841882,37.0,Ring,Base,0,3.553365441360172,2.434597288731859,6.58,0.17209429371750024,0.08714510298388625,0.05835228780019583,0.043830358989013385,0.03514685998447294,0.029284734865672277,0.025143626034315317,0.022003193762978386,0.019558303529049643,0.01760368119479161,0.44,0.44,0.44,0.44,0.44,0.44,0.44,0.44,0.44,0.44,0.44,1.56,4.76395285314125,4.806427448508057,4.820823856099902,4.8280848205054925,4.832426570007763,4.835357632567163,4.837428186982842,4.838998403118511,4.840220848235475,4.841198159402604,second
+275,2.94,90,8.131303468464603e+16,2.19,0.7839015438284094,84.2,Linear,None,0,0.6524836834954941,0.3416663280335864,7.45,4.4192051197742135,2.622480739685232,1.5558973432186711,0.9241319178945853,0.5486008063602694,0.3255996216912803,0.1934165919986569,0.11472542780773097,0.06818848745545039,0.04046804068054732,2.61,2.61,2.61,2.61,2.61,2.61,2.61,2.61,2.61,2.61,2.61,2.87,2.87,2.87,2.87,2.87,2.87,2.87,2.87,2.87,2.87,2.87,first
+274,12.99,99,3.320879879155023e+17,4.63,1.5325568680981427,74.4,Unknown,Base,0,0.044409069028299906,0.03485347796122595,3.98,3.3996636488859546,2.9568069478810814,2.6066556877038107,2.3252203325972722,2.095156603525134,1.901634181213861,1.7352494777508998,1.5921948117066544,1.4679600636748737,1.3589788072021363,4.74,4.159663648885955,3.7168069478810817,3.366655687703811,3.085220332597272,2.855156603525134,2.661634181213861,2.4952494777509004,2.3521948117066547,2.227960063674874,2.1189788072021365,4.1,4.680336351114045,5.123193052118919,5.47334431229619,5.754779667402728,5.984843396474866,6.178365818786139,6.3447505222491,6.487805188293346,6.612039936325127,6.721021192797864,second
+280,8.61,97,4.778182809935296e+17,4.53,1.5107219394949427,55.3,Branched,Base,0,0.38285778769634043,0.19852876008437112,3.53,3.2237137698429272,2.9174275396858547,2.6111413095287825,2.3048550793717104,1.9985688492146378,1.692282619057565,1.3859963889004925,1.07971015874342,0.7734239285863476,0.4671376984292741,0.08,0.08,0.08,0.08,0.08,0.08,0.08,0.08,0.08,0.08,0.08,4.18,4.486286230157072,4.792572460314145,5.098858690471217,5.40514492062829,5.711431150785362,6.017717380942435,6.324003611099507,6.63028984125658,6.936576071413652,7.242862301570726,zero
+276,1.37,96,1.3334196731602349e+17,2.71,0.9969486348916096,113.3,Branched,Enzyme,0,0.0903109114439303,0.07908178253113479,1.59,1.2928442844471626,1.0897117840328214,0.9409984550567155,0.8290446021938944,0.7415078590789227,0.6696373252670135,0.6104672593369944,0.5612605948092251,0.519612061261373,0.4835011715963903,4.57,4.57,4.57,4.57,4.57,4.57,4.57,4.57,4.57,4.57,4.57,2.49,2.638577857776419,2.7401441079835895,2.8145007724716424,2.8704776989030534,2.914246070460539,2.9501813373664936,2.979766370331503,3.0043697025953877,3.0251939693693135,3.043249414201805,second
+279,9.07,91,1.0214307618053477e+17,2.73,1.0043016091968684,148.6,Unknown,Base,0,0.936459063574692,0.6921286694778341,1.19,0.6077250569394398,0.4478731599644675,0.36552005360033185,0.31342377265135113,0.2768886940180183,0.2495203919871044,0.22780485112852927,0.21031365366848778,0.1958749092096841,0.18356116082286522,0.73,0.43886252846971985,0.3589365799822337,0.3177600268001659,0.2917118863256755,0.2734443470090091,0.25976019599355216,0.2489024255642646,0.24015682683424383,0.232937454604842,0.22678058041143256,2.39,2.6811374715302803,2.7610634200177664,2.802239973199834,2.8282881136743248,2.8465556529909914,2.860239804006448,2.8710975744357357,2.8798431731657566,2.887062545395158,2.893219419588568,third
+277,5.64,96,1.1195460034753446e+17,1.51,0.412109650826833,129.0,Ring,Enzyme,0,0.08818773468321953,0.059878174210506646,7.5,3.645663236226274,2.409045313463678,1.8000499538237071,1.4351806536732779,1.1953817996058083,1.0225244573071126,0.8941279699905762,0.7949039352824505,0.7147459050050233,0.6492708095330899,1.68,1.68,1.68,1.68,1.68,1.68,1.68,1.68,1.68,1.68,1.68,0.09,2.017168381886863,2.635477343268161,2.939975023088146,3.122409673163361,3.2423091001970956,3.3287377713464434,3.3929360150047114,3.4425480323587743,3.4826270474974876,3.5153645952334545,second
+280,12.05,96,3.9399882601483226e+17,4.62,1.5303947050936475,110.5,Ring,Acid,0,0.48509709648243793,0.3348297011495033,4.81,3.2629032093479733,2.2124461580233854,1.501397566537172,1.0187888418189444,0.6908162656216089,0.4693431132920571,0.3180847919311085,0.21601341110923383,0.14665124031256346,0.09948902828692834,0.48,0.48,0.48,0.48,0.48,0.48,0.48,0.48,0.48,0.48,0.48,0.92,2.467096790652027,3.517553841976614,4.228602433462828,4.7112111581810545,5.0391837343783905,5.260656886707942,5.411915208068891,5.5139865888907655,5.583348759687436,5.630510971713071,first
+276,2.09,96,7.327687673049325e+16,2.24,0.8064758658669485,122.8,Unknown,Enzyme,1,0.04962954768479806,0.03727823068925745,3.28,3.204324509375952,3.1337317896805814,3.067879632200404,3.006443986602441,2.9491342324861405,2.8956782578067224,2.8458183965879496,2.7993114289221284,2.7559285809701084,2.7154555249612837,4.02,4.02,4.02,4.02,4.02,4.02,4.02,4.02,4.02,4.02,4.02,1.74,1.8156754906240478,1.8862682103194186,1.952120367799596,2.013556013397559,2.0708657675138595,2.1243217421932776,2.1741816034120505,2.2206885710778717,2.2640714190298916,2.3045444750387163,first
+277,13.26,96,8.169962931024574e+16,3.19,1.1600209167967532,111.8,Linear,Base,1,0.06435559781343106,0.038727671380522806,9.65,1.9096528265224069,1.532795649403354,1.416493554975623,1.3722389679480869,1.354017246899452,1.3470409075287035,1.343468665979649,1.3423524222998187,1.3418827934801867,1.341521433901698,4.14,4.14,4.14,4.14,4.14,4.14,4.14,4.14,4.14,4.14,4.14,1.24,3.8201157244925317,3.945734783532216,3.9845021483414595,3.999253677350638,4.005327584366849,4.007653030823765,4.008843778006784,4.009215859233394,4.0093724021732715,4.0094928553661004,third
+271,6.03,91,4.344293089095114e+17,1.37,0.3148107398400336,198.6,Linear,Enzyme,1,1.2509514465214644,0.6277272263416639,4.55,2.336986777110802,1.8454343818137455,1.735624536387867,1.7113009022571282,1.7059362237774747,1.7042497832742776,1.7043591598198167,1.7036877838547273,1.704694113198357,1.7042408362748194,3.71,3.71,3.71,3.71,3.71,3.71,3.71,3.71,3.71,3.71,3.71,0.55,2.7630132228891986,3.2545656181862546,3.3643754636121335,3.3886990977428724,3.394063776222526,3.3957502167257227,3.395640840180184,3.3963122161452732,3.3953058868016432,3.3957591637251814,first
+277,9.06,92,3.005893092927981e+17,3.54,1.264126727145683,43.7,Unknown,None,1,1.3448004525318167,0.8245918198975767,4.83,4.582995261523035,4.582614892449251,4.582693284953202,4.582989026467538,4.582686905169573,4.5827275941285075,4.582911529540991,4.582662136928318,4.582949109838646,4.5828176422018325,0.23,0.10649763076151733,0.10630744622462579,0.10634664247660183,0.10649451323377053,0.10634345258478808,0.10636379706425493,0.10645576477049704,0.10633106846415984,0.10647455491932435,0.10640882110091811,3.52,3.6435023692384827,3.6436925537753746,3.643653357523399,3.643505486766231,3.6436565474152136,3.6436362029357463,3.6435442352295047,3.6436689315358413,3.643525445080677,3.643591178899084,third
+278,11.79,91,4.0144453143198886e+17,4.49,1.501852701754163,135.4,Ring,Enzyme,0,3.1960874030724256,2.429787584409461,5.79,0.4497551435603596,0.03501214894172381,0.002718218806028347,0.000211907982914509,1.667565630819965e-05,1.1740580891840313e-06,-9.53919515971109e-09,-4.108009451802734e-07,5.202934634141673e-07,1.6121005230945393e-07,3.28,3.28,3.28,3.28,3.28,3.28,3.28,3.28,3.28,3.28,3.28,4.84,4.84,4.84,4.84,4.84,4.84,4.84,4.84,4.84,4.84,4.84,first
+270,10.0,93,4.5354565505728704e+17,2.04,0.712949807856125,141.2,Linear,Base,0,0.46135967945197776,0.25283381707282315,9.1,0.6715471758135964,0.47539211575438867,0.3883092848952622,0.3366249605698088,0.3008913590825664,0.2747896435327236,0.25452024043264754,0.2380108528476535,0.22436747680657657,0.21282760365817355,1.72,1.72,1.72,1.72,1.72,1.72,1.72,1.72,1.72,1.72,1.72,1.84,4.649484274728802,4.714869294748537,4.743896905034912,4.761125013143396,4.773036213639144,4.781736785489092,4.788493253189117,4.793996382384115,4.798544174397807,4.802390798780609,third
+273,3.3,98,1.1922983722924198e+17,0.92,-0.08338160893905101,121.3,Unknown,None,0,0.021125709842173712,0.018222054615596187,4.46,2.5757493273210073,1.9925153734730658,1.6834669388081096,1.4849420829258313,1.3426187835590984,1.2344800606304365,1.1498459906052838,1.0801861771650498,1.0214480199030338,0.971357504882018,3.1,3.1,3.1,3.1,3.1,3.1,3.1,3.1,3.1,3.1,3.1,2.92,3.5480835575596643,3.742494875508978,3.8455110203972964,3.911685972358056,3.9591270721469667,3.9951733131231877,4.023384669798238,4.04660460761165,4.066183993365655,4.082880831705994,third
+273,1.03,92,1.0413468864964306e+17,0.95,-0.05129329438755058,68.9,Linear,Base,1,0.25946412086568327,0.14791239287175556,4.13,3.897179723783755,3.7292616931169285,3.607531077844533,3.5190336744668276,3.4565000702520696,3.412424698279035,3.3794652632769235,3.3553347921768326,3.3381412320122577,3.3257821683929225,1.38,1.38,1.38,1.38,1.38,1.38,1.38,1.38,1.38,1.38,1.38,4.94,5.172820276216245,5.340738306883072,5.462468922155467,5.550966325533173,5.613499929747931,5.657575301720965,5.690534736723077,5.714665207823169,5.7318587679877435,5.744217831607078,first
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+274,13.31,93,1.3547995281134938e+17,3.03,1.1085626195212777,85.0,Linear,Acid,0,0.2523243040661032,0.2254710430326098,1.81,0.7553908177210148,0.35844748994661246,0.17967583421743105,0.09227753231084121,0.04803192302791627,0.02519748602369831,0.013237569730577867,0.006968624674293128,0.003678652652897749,0.0019390835011041429,4.98,3.925390817721015,3.528447489946613,3.3496758342174315,3.2622775323108413,3.218031923027916,3.1951974860236985,3.183237569730578,3.176968624674293,3.1736786526528977,3.171939083501104,4.89,5.944609182278985,6.341552510053387,6.520324165782569,6.607722467689158,6.651968076972083,6.674802513976302,6.686762430269422,6.693031375325707,6.6963213473471015,6.698060916498895,second
+273,9.42,97,4.703003504087742e+17,2.13,0.7561219797213337,118.5,Linear,Base,1,0.12946257771941502,0.06660776417788566,2.55,2.4594356078381665,2.38202161651812,2.3158198364732074,2.258972462799771,2.2103256155609223,2.1689040019511556,2.1337503702126486,2.1039255096352596,2.0785082505565295,2.0565954643616826,0.79,0.79,0.79,0.79,0.79,0.79,0.79,0.79,0.79,0.79,0.79,3.12,3.2105643921618334,3.28797838348188,3.3541801635267925,3.411027537200229,3.4596743844390776,3.5010959980488443,3.5362496297873514,3.5660744903647403,3.5914917494434704,3.6134045356383173,first
+271,13.56,94,2.641519390109444e+16,5.0,1.6094379124341003,198.5,Ring,Acid,1,0.02008681165804752,0.01105668715377065,4.37,2.8352833982605805,2.1946693461334528,1.8388670021307876,1.6156367067017443,1.4614406523975356,1.3524817325775387,1.271233803044388,1.2094945529014367,1.1624529792165157,1.1258235807007473,4.54,3.7726416991302902,3.4523346730667264,3.2744335010653938,3.1628183533508722,3.085720326198768,3.0312408662887695,2.990616901522194,2.9597472764507184,2.936226489608258,2.9179117903503737,3.25,4.01735830086971,4.337665326933274,4.515566498934606,4.627181646649128,4.704279673801232,4.758759133711231,4.799383098477806,4.8302527235492825,4.8537735103917425,4.872088209649627,third
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+273,2.13,94,4.6238319474759264e+17,4.02,1.3912819026309295,30.7,Ring,None,1,0.477308043945332,0.3091813542925271,4.3,1.361590740981879,1.1795180846223121,1.156832516034497,1.1537214480100897,1.15317354225189,1.1535802028050512,1.1524212239950555,1.1545300448626934,1.1529323615308056,1.1538432715530174,4.39,4.39,4.39,4.39,4.39,4.39,4.39,4.39,4.39,4.39,4.39,0.48,1.9492046295090604,2.0402409576888436,2.051583741982751,2.0531392759949547,2.0534132288740543,2.053209898597474,2.053789388002472,2.052734977568653,2.053533819234597,2.053078364223491,second
+272,13.98,95,3.7400143193399974e+17,0.72,-0.3285040669720361,93.7,Linear,Acid,0,0.21305816201577235,0.11139620214994521,8.52,7.184814094123109,6.058490861241891,5.1077136188288055,4.306841170714559,3.632867593942345,3.0649213392661787,2.5847795947301426,2.1796232181514164,1.8381215135874183,1.5501559848070794,4.17,4.17,4.17,4.17,4.17,4.17,4.17,4.17,4.17,4.17,4.17,1.49,2.8251859058768916,3.9515091387581096,4.902286381171195,5.703158829285441,6.3771324060576555,6.945078660733822,7.425220405269859,7.830376781848585,8.171878486412583,8.459844015192921,first
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+275,7.07,98,2.0967446737929763e+17,4.88,1.5851452198650557,111.4,Linear,None,1,0.05085656097888721,0.04117745610888319,4.9,2.716680061870212,2.1965567802494417,1.9845689522952341,1.8826786568779665,1.8318221350591335,1.8043481178121954,1.7905449138636642,1.782232144988273,1.7782197498997592,1.7762292950911696,3.13,2.038340030935106,1.7782783901247208,1.672284476147617,1.6213393284389832,1.5959110675295667,1.5821740589060975,1.575272456931832,1.5711160724941362,1.5691098749498793,1.5681146475455845,4.52,5.611659969064893,5.871721609875278,5.977715523852382,6.028660671561015,6.054088932470432,6.067825941093901,6.074727543068167,6.078883927505863,6.08089012505012,6.081885352454415,third
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+277,6.86,93,2.913756493618293e+17,3.17,1.1537315878891892,101.1,Linear,Enzyme,1,0.8444191079549371,0.5116122521406284,9.15,5.475275506237231,5.453075816705696,5.453361998307931,5.453311191719615,5.452634783042864,5.454036578552496,5.452318205450764,5.453689088080754,5.452702268367669,5.453149692759818,4.61,0.9352755062372305,0.9130758167056954,0.9133619983079299,0.9133111917196142,0.9126347830428635,0.9140365785524958,0.9123182054507637,0.9136890880807536,0.9127022683676679,0.9131496927598172,4.52,8.194724493762768,8.216924183294305,8.216638001692068,8.216688808280384,8.217365216957136,8.215963421447503,8.217681794549238,8.216310911919248,8.217297731632335,8.216850307240186,second
+272,13.22,94,4.1420026500763437e+17,1.2,0.1823215567939546,149.6,Unknown,Base,1,0.3671819612162389,0.2783290849000792,6.31,5.49650558344204,5.012200665847187,4.721720374689441,4.550864877180889,4.446580140573475,4.385858960442561,4.349261522805393,4.326510371312301,4.314229344301732,4.306757456706065,1.69,1.69,1.69,1.69,1.69,1.69,1.69,1.69,1.69,1.69,1.69,3.65,4.4634944165579595,4.947799334152812,5.238279625310558,5.4091351228191105,5.5134198594265245,5.574141039557438,5.610738477194606,5.633489628687698,5.645770655698267,5.653242543293934,first
+279,12.59,96,4.413789356652076e+17,3.11,1.1346227261911428,40.0,Linear,Base,1,0.46876264741259305,0.2712654182027226,5.72,1.5555040610639568,1.5444651893437862,1.5452141322559552,1.543207624022814,1.5437351089259135,1.5453026198710065,1.5440012024973295,1.5463525297169531,1.5441747491913296,1.5448158350940433,3.64,1.5577520305319785,1.5522325946718931,1.5526070661279776,1.5516038120114073,1.551867554462957,1.5526513099355037,1.5520006012486651,1.553176264858477,1.552087374595665,1.5524079175470218,4.31,6.392247969468021,6.397767405328106,6.3973929338720215,6.398396187988592,6.398132445537042,6.397348690064495,6.397999398751334,6.396823735141522,6.397912625404334,6.397592082452977,third
+279,6.7,93,2.2832622008887907e+17,3.61,1.2837077723447896,153.4,Unknown,Base,1,0.8838534545133936,0.6486726437547794,1.01,0.5986235971843715,0.5594792714994202,0.5546247988313839,0.5540590934735666,0.5539652614531226,0.5535833936011131,0.5542904567402973,0.5536294671641097,0.5542228940332193,0.5539894493695395,3.32,3.32,3.32,3.32,3.32,3.32,3.32,3.32,3.32,3.32,3.32,0.19,0.39568820140781424,0.4152603642502899,0.41768760058430804,0.4179704532632167,0.4180173692734387,0.41820830319944347,0.41785477162985135,0.4181852664179452,0.41788855298339034,0.41800527531523024,second
+278,8.96,93,4.0177082612863776e+17,2.95,1.0818051703517284,108.8,Linear,Acid,0,1.3463846442436636,0.9513316156179923,4.37,1.488919663714289,0.507214336329853,0.17286042915442507,0.05892395384759425,0.020090732326548923,0.006851899542137492,0.0023372935258304936,0.0007973781404607776,0.0002720613440993909,9.28094652510923e-05,3.57,3.57,3.57,3.57,3.57,3.57,3.57,3.57,3.57,3.57,3.57,1.65,4.5310803362857115,5.512785663670147,5.847139570845575,5.961076046152406,5.999909267673451,6.013148100457862,6.017662706474169,6.019202621859539,6.019727938655899,6.019907190534748,first
+280,7.58,96,2.4502441663833792e+17,1.36,0.3074846997479607,30.2,Ring,Enzyme,1,0.30167763259803804,0.1619537988364181,3.43,1.482305622395576,1.1495323487840416,1.0561397954460316,1.0265534734527866,1.01712211467156,1.0139998241113561,1.012783169133853,1.0125365676562421,1.0124876862946643,1.0123660015106382,1.84,1.84,1.84,1.84,1.84,1.84,1.84,1.84,1.84,1.84,1.84,0.7,1.6738471888022124,1.8402338256079793,1.8869301022769847,1.9017232632736072,1.9064389426642203,1.9080000879443224,1.9086084154330738,1.908731716171879,1.908756156852668,1.9088169992446813,second
+270,10.83,95,1.685806023272286e+17,3.46,1.2412685890696329,52.3,Unknown,Acid,0,0.0703540322055866,0.04460849824865417,7.09,4.469112759245003,4.040433234183466,3.8939160419082635,3.8349808227571143,3.8098093789409764,3.7987867554441537,3.793906006669824,3.791738164044733,3.790774597244142,3.790346315097509,1.65,0.3395563796225013,0.12521661709173307,0.05195802095413189,0.02249041137855741,0.009904689470488422,0.004393377722076911,0.0019530033349119853,0.0008690820223665284,0.0003872986220710625,0.00017315754875454388,3.4,4.710443620377498,4.924783382908267,4.998041979045867,5.0275095886214425,5.040095310529511,5.045606622277923,5.048046996665088,5.049130917977633,5.049612701377929,5.049826842451245,third
+280,11.85,91,3.077520368992269e+17,3.11,1.1346227261911428,181.3,Unknown,Acid,1,3.24586012576636,2.3307952208608875,8.91,6.4087903358526335,6.408632423591701,6.409423990729282,6.408942922516281,6.409089581880106,6.408880412393327,6.408485642734823,6.408558355452865,6.408805682842966,6.408864191640722,2.87,0.3687903358526351,0.3686324235917029,0.3694239907292829,0.36894292251628197,0.3690895818801073,0.36888041239332875,0.36848564273482365,0.36855835545286525,0.3688056828429675,0.3688641916407233,0.79,3.2912096641473645,3.291367576408297,3.290576009270717,3.291057077483717,3.290910418119892,3.2911195876066706,3.2915143572651755,3.2914416445471337,3.2911943171570317,3.2911358083592757,second
+275,10.9,100,1.9134092771105786e+17,4.95,1.599387576580599,154.3,Branched,Enzyme,0,0.019351173392971634,0.01561789618800473,4.88,4.875636070039903,4.87159289936512,4.867846267253324,4.864373579576055,4.861155089907036,4.858172311152756,4.855407830232624,4.8528453080789635,4.850469479637016,4.848266153864939,0.06,0.055636070039902716,0.051592899365119814,0.047846267253322985,0.04437357957605496,0.04115508990703545,0.03817231115275563,0.03540783023262328,0.032845308078962895,0.030469479637015583,0.02826615386493913,4.35,4.354363929960097,4.35840710063488,4.362153732746676,4.365626420423944,4.368844910092964,4.371827688847244,4.374592169767376,4.377154691921036,4.379530520362984,4.38173384613506,second
+276,5.41,95,4.2524449547329805e+17,1.52,0.41871033485818504,164.9,Branched,Base,0,0.44532271177205907,0.26457830684948336,6.15,1.1456872624194787,0.632127960926722,0.43647547839119644,0.33312081286657846,0.26937287580287705,0.2261475461677802,0.19496808287821973,0.17114622814479438,0.15263149723458555,0.13774752062073986,4.66,4.66,4.66,4.66,4.66,4.66,4.66,4.66,4.66,4.66,4.66,3.07,5.57215636879026,5.828936019536639,5.926762260804402,5.978439593566711,6.0103135620985615,6.03192622691611,6.047515958560891,6.0594268859276035,6.068684251382708,6.076126239689631,second
+274,7.1,98,2.1260223046601018e+17,3.23,1.172482137234565,169.4,Ring,None,1,0.04409918630134685,0.0221469551645879,6.79,6.558415801206637,6.338778824311699,6.130467198757061,5.932909461092046,5.745558004870704,5.567888229886287,5.39939854217125,5.239610353997248,5.088068083875142,4.94433915655499,3.25,3.25,3.25,3.25,3.25,3.25,3.25,3.25,3.25,3.25,3.25,0.1,0.33158419879336254,0.5512211756883005,0.7595328012429394,0.9570905389079546,1.1444419951292966,1.3221117701137133,1.4906014578287503,1.6503896460027516,1.8019319161248581,1.9456608434450104,first
+273,6.25,100,3.523297422780637e+17,2.9,1.0647107369924282,160.5,Linear,None,0,0.025863690182539284,0.01396266395507532,4.8,4.779309047853968,4.758618095707937,4.7379271435619055,4.717236191415875,4.696545239269843,4.675854287123811,4.65516333497778,4.634472382831748,4.613781430685718,4.593090478539686,1.68,1.68,1.68,1.68,1.68,1.68,1.68,1.68,1.68,1.68,1.68,5.0,5.0206909521460314,5.041381904292063,5.062072856438094,5.082763808584125,5.103454760730157,5.124145712876189,5.14483666502222,5.165527617168252,5.186218569314282,5.206909521460314,zero
+270,4.37,91,7.203010910057136e+16,3.99,1.3837912309017721,102.0,Branched,Enzyme,1,0.17859526163712416,0.156775227133819,3.71,1.731926368314815,1.4638963686054158,1.3870202318930371,1.3619230132683595,1.3533553890635923,1.3500426443522933,1.3492939642537203,1.3486369276228751,1.3485850822959053,1.3487327871211117,2.05,1.0609631841574072,0.9269481843027078,0.8885101159465184,0.8759615066341796,0.871677694531796,0.8700213221761465,0.86964698212686,0.8693184638114374,0.8692925411479525,0.8693663935605557,0.62,1.6090368158425927,1.743051815697292,1.7814898840534814,1.79403849336582,1.7983223054682036,1.7999786778238531,1.8003530178731395,1.800681536188562,1.8007074588520469,1.8006336064394437,third
+273,2.8,96,3.502153241660627e+16,0.57,-0.5621189181535413,142.1,Unknown,None,0,0.01497775358074816,0.013057411546590462,7.34,7.252575446245163,7.166192180396536,7.08083779996371,6.996500047294407,6.913166814540999,6.830826141939743,6.749466208166092,6.669075330262495,6.589641963638391,6.511154702070211,0.18,0.18,0.18,0.18,0.18,0.18,0.18,0.18,0.18,0.18,0.18,4.42,4.507424553754837,4.593807819603464,4.67916220003629,4.763499952705593,4.846833185459001,4.929173858060257,5.0105337918339075,5.090924669737505,5.170358036361609,5.248845297929789,first
+276,12.78,96,3.7565465227443386e+17,1.12,0.11332868530700327,83.1,Ring,Enzyme,1,0.25442637991572536,0.16204921994884156,5.3,5.463395026790533,5.508256790931827,5.520221847309886,5.523343795494624,5.524247872339938,5.524496169497943,5.52451777474008,5.5245513545482225,5.524589262080512,5.524484473116542,0.13,0.2933950267905329,0.338256790931827,0.35022184730988604,0.35334379549462336,0.35424787233993765,0.3544961694979425,0.35451777474007984,0.3545513545482226,0.35458926208051117,0.3544844731165416,3.3,3.1366049732094665,3.0917432090681727,3.0797781526901136,3.0766562045053765,3.075752127660062,3.0755038305020572,3.07548222525992,3.075448645451777,3.0754107379194884,3.075515526883458,second
+276,1.7,91,3.369219918840246e+17,2.26,0.8153648132841944,83.9,Unknown,Base,0,2.0165853771162854,1.1972145901144644,3.0,0.09505927886729204,0.04929438912929639,0.03331272112729849,0.0251475544252436,0.020214206108495638,0.016896797346031958,0.01452759968165173,0.012724717698120771,0.011328450139449196,0.010209860114074827,4.51,3.0575296394336466,3.034647194564649,3.02665636056365,3.0225737772126227,3.0201071030542486,3.018448398673017,3.0172637998408267,3.016362358849061,3.015664225069725,3.015104930057038,1.0,2.452470360566354,2.4753528054353517,2.4833436394363506,2.487426222787378,2.489892896945752,2.4915516013269836,2.492736200159174,2.4936376411509396,2.4943357749302755,2.4948950699429626,third
+280,10.84,93,1.8915197710082614e+17,4.51,1.506297153514587,101.8,Ring,None,1,0.8449318920252286,0.5751507074658188,8.22,1.595957386865637,1.5748851641201003,1.5738162288749642,1.5760110330959927,1.5739121070865454,1.5744559002180847,1.5760928806899466,1.5740425081799791,1.5763519413014908,1.5753267877257648,0.73,0.73,0.73,0.73,0.73,0.73,0.73,0.73,0.73,0.73,0.73,0.32,3.632021306567182,3.6425574179399502,3.6430918855625185,3.641994483452004,3.6430439464567277,3.642772049890958,3.6419535596550268,3.6429787459100105,3.6418240293492543,3.642336606137117,second
+277,9.48,90,4.4411238081615514e+17,4.85,1.5789787049493917,49.1,Unknown,Enzyme,1,4.735177170841967,3.8869088672118632,1.2,1.0760000176364453,1.077422465695502,1.0781393538368338,1.0773382016501207,1.0759970164056374,1.0764153418648081,1.0772826953097852,1.0780199315817416,1.0768239838344242,1.0770617270050276,1.32,1.32,1.32,1.32,1.32,1.32,1.32,1.32,1.32,1.32,1.32,1.48,1.5213333274545182,1.5208591781014997,1.5206202153877229,1.520887266116628,1.5213343278647895,1.521194886045066,1.5209057682300742,1.5206600228060887,1.5210586720551948,1.5209794243316606,third
+277,6.77,92,4.555435291325113e+16,3.68,1.3029127521808397,22.4,Ring,Base,0,0.20380470136035536,0.11038255624630296,7.38,6.269699311089686,5.326458077996416,4.52372560242164,3.8405921174725814,3.261516457923724,2.771762539718005,2.3573675744369305,2.005142069300569,1.703754906446894,1.447432852602716,0.35,0.35,0.35,0.35,0.35,0.35,0.35,0.35,0.35,0.35,0.35,4.74,4.74,4.74,4.74,4.74,4.74,4.74,4.74,4.74,4.74,4.74,first
+270,10.1,94,2.0953062215330864e+17,3.07,1.1216775615991057,125.6,Ring,Enzyme,1,0.13652038723934865,0.1122389911298154,5.48,5.355350619800723,5.298103592660852,5.269610512967938,5.255934602773398,5.249299933963629,5.246158444632454,5.2444717270954575,5.243882225714516,5.243462934127154,5.243251565626379,0.79,0.6653506198007222,0.6081035926608511,0.5796105129679362,0.5659346027733968,0.5592999339636275,0.5561584446324523,0.5544717270954561,0.5538822257145147,0.5534629341271535,0.5532515656263781,3.29,3.414649380199278,3.471896407339149,3.500389487032064,3.514065397226603,3.5207000660363725,3.5238415553675475,3.525528272904544,3.5261177742854852,3.526537065872846,3.526748434373622,second
+272,5.8,90,3.914644579956703e+17,2.28,0.8241754429663494,112.2,Branched,Base,1,2.0349208262900205,1.3478143921807995,5.33,3.770243187191153,3.665384257661873,3.658831737983498,3.6583132210431057,3.6550546208257275,3.6582367721069677,3.6594732873655103,3.6596145404413107,3.6583725211197784,3.6581836362959614,0.97,0.97,0.97,0.97,0.97,0.97,0.97,0.97,0.97,0.97,0.97,3.85,5.409756812808847,5.514615742338127,5.521168262016502,5.5216867789568935,5.524945379174272,5.5217632278930315,5.52052671263449,5.52038545955869,5.521627478880222,5.521816363704039,first
+277,4.12,93,4.138632864504448e+17,2.81,1.0331844833456545,132.0,Linear,Acid,0,1.1993935249057395,0.8961183933555434,6.79,5.208353525765235,5.2000572322092244,5.200000539629287,5.199999959931747,5.200000877791822,5.19999959230066,5.200000230437512,5.199998994521691,5.200000810804443,5.2000001065358035,1.59,0.008353525765233193,5.723220922240929e-05,5.396292847236983e-07,-4.0068255561319665e-08,8.777918196085058e-07,-4.0769934179052184e-07,2.3043751096031456e-07,-1.005478310420219e-06,8.108044423993116e-07,1.0653580205800558e-07,3.29,4.871646474234765,4.879942767790776,4.879999460370713,4.8800000400682535,4.879999122208178,4.88000040769934,4.879999769562488,4.880001005478309,4.879999189195557,4.879999893464197,second
+274,4.56,94,1.2675172303421259e+17,1.02,0.01980262729617973,168.7,Ring,Acid,1,0.15219264386354717,0.13599118247980815,7.36,6.844358134619006,6.434918834202815,6.108696446310583,5.849637792681461,5.645425023100435,5.484364968170833,5.355544269776424,5.252563184735042,5.170893146870719,5.106071787577268,4.64,4.64,4.64,4.64,4.64,4.64,4.64,4.64,4.64,4.64,4.64,2.93,3.4456418653809937,3.855081165797186,4.181303553689418,4.44036220731854,4.644574976899566,4.805635031829168,4.9344557302235765,5.037436815264959,5.119106853129282,5.183928212422733,first
+280,5.82,94,4.505557927040814e+17,4.39,1.47932922708708,144.1,Ring,None,0,1.3097860844429854,1.0998500560769207,2.91,2.0946260271792925,2.0900481265256117,2.0900002598202656,2.0900007131427825,2.0900015788254698,2.0899988615381355,2.090001661667222,2.0900005634001566,2.089999222228859,2.0900017339641157,0.41,0.002313013589646294,2.4063262805909633e-05,1.2991013266161694e-07,3.565713910726103e-07,7.894127346106751e-07,-5.692309328086943e-07,8.308336104324021e-07,2.817000777832219e-07,-3.888855710694161e-07,8.669820573551044e-07,4.46,4.867686986410353,4.869975936737194,4.869999870089867,4.869999643428609,4.869999210587265,4.870000569230932,4.869999169166389,4.869999718299923,4.870000388885571,4.869999133017942,third
+274,4.39,91,1.1560437728551744e+17,4.28,1.4539530095937054,135.4,Ring,None,1,0.5180203741013134,0.43289648696832056,4.1,1.9370596409047738,1.920343563010917,1.919704162462461,1.919714308263835,1.9207022960802187,1.9212434924074921,1.920118758673992,1.9192803227141468,1.9198527534852918,1.9205273344849403,1.77,0.6885298204523871,0.6801717815054587,0.6798520812312306,0.6798571541319177,0.6803511480401095,0.6806217462037463,0.6800593793369962,0.6796401613570736,0.6799263767426461,0.6802636672424703,1.91,2.9914701795476133,2.999828218494542,3.00014791876877,3.000142845868083,2.999648851959891,2.9993782537962543,2.9999406206630046,3.000359838642927,3.000073623257355,2.9997363327575304,third
+276,4.97,97,9.718057553521874e+16,4.78,1.5644405465033646,142.8,Ring,Enzyme,0,0.0425686675334416,0.03449307957044363,9.31,8.998286380676506,8.697009390219879,8.405817761124359,8.124374974908937,7.852356417220379,7.58944716249254,7.335341973946367,7.089745303589891,6.8523712922182325,6.622943769413601,1.17,1.17,1.17,1.17,1.17,1.17,1.17,1.17,1.17,1.17,1.17,1.04,1.3517136193234935,1.6529906097801208,1.94418223887564,2.2256250250910625,2.497643582779621,2.7605528375074595,3.0146580260536324,3.260254696410109,3.497628707781767,3.727056230586399,first
+277,9.56,95,3.419542819195842e+17,3.2,1.1631508098056809,60.1,Linear,Enzyme,0,0.4158280747290763,0.3637393326545136,2.12,1.5200125406167868,1.0898708032120459,0.7806133548277272,0.5601295921137445,0.40226696196403794,0.2881714938962845,0.20677043187641633,0.14843424403726255,0.10641286686040795,0.07632405358355338,2.21,2.21,2.21,2.21,2.21,2.21,2.21,2.21,2.21,2.21,2.21,4.79,4.79,4.79,4.79,4.79,4.79,4.79,4.79,4.79,4.79,4.79,first
+275,10.53,91,1.206705431819585e+17,2.24,0.8064758658669485,55.5,Branched,None,1,0.6252587069019748,0.526922385062312,8.71,4.50155544713649,4.501763122394442,4.501496636331002,4.501774217187615,4.501428148840496,4.501774276290343,4.501387877271259,4.501763618433693,4.501502530562151,4.501676278518764,2.22,0.11577772356824502,0.11588156119722089,0.11574831816550095,0.115887108593807,0.11571407442024764,0.11588713814517135,0.1156939386356296,0.11588180921684656,0.11575126528107525,0.11583813925938213,0.68,2.784222276431755,2.7841184388027793,2.7842516818344993,2.784112891406193,2.784285925579752,2.7841128618548288,2.7843060613643704,2.7841181907831536,2.7842487347189246,2.784161860740618,third
+280,4.0,92,1.1009767655919003e+17,2.85,1.0473189942805592,120.2,Unknown,Enzyme,1,0.7556975169573648,0.390166600368177,3.03,2.3063408601297266,2.305455645146449,2.304688828649156,2.3045787212572098,2.3054337055216942,2.3059873051497113,2.3060427348681736,2.3053249961846354,2.304866126964486,2.305351588928049,0.83,0.4681704300648635,0.46772782257322465,0.46734441432457813,0.467289360628605,0.4677168527608472,0.46799365257485587,0.468021367434087,0.46766249809231797,0.4674330634822434,0.46767579446402485,4.45,4.811829569935136,4.812272177426776,4.812655585675421,4.812710639371395,4.812283147239153,4.812006347425143,4.811978632565912,4.812337501907681,4.812566936517755,4.812324205535973,third
+275,9.52,92,4.219509487755096e+17,2.08,0.7323678937132266,40.1,Ring,Enzyme,0,1.4117878581757837,0.8342720221061681,4.94,4.63999936508526,4.639998568700542,4.640002445797867,4.639998826700372,4.639998637516958,4.640002185667422,4.639998461881902,4.64000012595963,4.640003100974066,4.640000367514205,0.15,-3.1745737020166677e-07,-7.156497293805883e-07,1.222898932687737e-06,-5.86649815072637e-07,-6.812415218360936e-07,1.0928337106864906e-06,-7.690590493716002e-07,6.297981511595332e-08,1.5504870332491015e-06,1.837571032453564e-07,2.64,2.79000031745737,2.7900007156497293,2.789998777101067,2.7900005866498145,2.7900006812415215,2.7899989071662894,2.7900007690590494,2.7899999370201853,2.7899984495129675,2.7899998162428976,third
+272,3.72,94,3.353530325327677e+17,2.16,0.7701082216960737,38.4,Linear,None,0,0.2972851410003932,0.26431388229102215,8.65,1.5203359138257087,1.108330962431569,0.9244921328081339,0.8147017755977592,0.7395210145052118,0.6842193668296388,0.6415741628891326,0.6069644499245127,0.5784021270611494,0.5543144553437215,4.2,0.6351679569128543,0.4291654812157844,0.33724606640406696,0.2823508877988796,0.2447605072526059,0.2171096834148194,0.1957870814445663,0.17848222496225633,0.16420106353057468,0.15215722767186074,4.81,8.374832043087146,8.580834518784215,8.672753933595933,8.72764911220112,8.765239492747394,8.792890316585181,8.814212918555434,8.831517775037744,8.845798936469425,8.857842772328139,third
+271,2.91,91,1.970140166216202e+17,1.72,0.5423242908253617,189.0,Linear,Enzyme,0,0.5673074169338663,0.386147264213739,5.84,0.9967112823687027,0.6992260587781395,0.565921321088514,0.48569113279899967,0.4312503126750123,0.39061869967840124,0.35932311396848055,0.3341283142406399,0.31308211732533625,0.2952942546700719,2.98,0.5583556411843513,0.4096130293890698,0.34296066054425706,0.3028455663994999,0.2756251563375062,0.25530934983920067,0.23966155698424033,0.22706415712032,0.21654105866266818,0.207647127335036,2.92,5.341644358815651,5.490386970610931,5.557039339455744,5.597154433600501,5.624374843662495,5.6446906501608005,5.660338443015761,5.6729358428796814,5.683458941337333,5.692352872664966,third
+278,4.43,92,2.2874035772979156e+16,3.6,1.2809338454620642,56.0,Linear,Enzyme,0,0.11815027108954868,0.062171713136695485,8.18,1.3153492426522029,0.935066791157188,0.7653919799862035,0.6631493315128916,0.5938419992773587,0.5419434579762861,0.5020401727216955,0.46995800822445155,0.44303633006622034,0.42026314269197507,3.12,3.12,3.12,3.12,3.12,3.12,3.12,3.12,3.12,3.12,3.12,2.09,4.378216919115933,4.504977736280937,4.561536006671266,4.595616889495703,4.618719333574213,4.636018847341238,4.649319942426101,4.660013997258516,4.668987889977926,4.6765789524360075,third
+277,10.73,92,4.660052662206176e+17,2.94,1.0784095813505903,190.8,Linear,Base,0,2.084851568307959,1.4630790814526284,8.78,1.6565867650519859,0.312839402413588,0.05918162365361567,0.011183235238951808,0.002110909682707559,0.0003994547489057683,7.5367196918334e-05,1.4472246282417379e-05,2.8729780897505837e-06,5.74826558985328e-07,1.51,1.51,1.51,1.51,1.51,1.51,1.51,1.51,1.51,1.51,1.51,3.29,10.413413234948013,11.757160597586411,12.010818376346384,12.058816764761048,12.067889090317292,12.069600545251093,12.069924632803081,12.069985527753717,12.06999712702191,12.06999942517344,first
+273,11.63,97,5.297605893956581e+16,4.97,1.6034198401085373,110.7,Linear,None,0,0.014583057702956571,0.009794196541979437,9.82,9.424126942840877,9.083082370209281,8.78629853338681,8.526286965556483,8.298253879512083,8.097728886403107,7.920539405018381,7.762810661786074,7.620965690773687,7.4920639826286495,3.73,3.3341269428408773,2.993082370209281,2.6962985333868112,2.4362869655564836,2.2082538795120845,2.007728886403107,1.8305394050183819,1.6728106617860743,1.5309656907736868,1.4020639826286494,4.78,5.175873057159123,5.516917629790719,5.813701466613189,6.073713034443517,6.301746120487916,6.502271113596894,6.679460594981618,6.837189338213927,6.979034309226314,7.107936017371352,second
+279,5.18,94,3.171961672217244e+17,1.21,0.1906203596086497,170.9,Unknown,Base,1,0.797856364616812,0.43878753639613255,3.2,2.0739241177495407,1.9501540639929658,1.931776328221885,1.928890962480261,1.9283536788209132,1.9282503729501748,1.9283813277959372,1.9278160278117775,1.9283920654868387,1.9287292171377124,1.7,0.5739241177495409,0.4501540639929662,0.43177632822188533,0.42889096248026143,0.4283536788209137,0.42825037295017526,0.42838132779593746,0.4278160278117778,0.4283920654868391,0.42872921713771267,0.23,1.356075882250459,1.4798459360070337,1.4982236717781146,1.5011090375197385,1.5016463211790863,1.5017496270498247,1.5016186722040623,1.502183972188222,1.5016079345131608,1.501270782862287,second
+280,10.29,92,2.332080277134279e+17,2.2,0.7884573603642703,25.6,Unknown,None,1,1.6007125035269527,0.8424543572584727,8.79,3.258407660680898,3.2585381841463366,3.2578472062315535,3.2582757833757805,3.2586040111680536,3.2577959105976957,3.258256699705143,3.2586391487808557,3.2577226484454993,3.258237774869422,2.97,0.20420383034044925,0.20426909207316876,0.20392360311577698,0.2041378916878901,0.20430200558402692,0.203897955298848,0.2041283498525718,0.20431957439042792,0.20386132422275,0.20411888743471135,1.35,4.115796169659553,4.1157309079268325,4.116076396884225,4.115862108312112,4.115697994415974,4.116102044701153,4.1158716501474295,4.115680425609574,4.116138675777252,4.115881112565291,third
+272,4.8,91,3.544973679148106e+17,1.97,0.6780335427498971,24.5,Linear,Acid,0,1.1841920480521642,0.7800911850919405,7.27,6.322646361558268,5.375292723116537,4.427939084674805,3.480585446233074,2.5332318077913425,1.58587816934961,0.6385245309078789,-0.3088291075338532,-1.2561827459755852,-2.2035363844173164,4.56,4.56,4.56,4.56,4.56,4.56,4.56,4.56,4.56,4.56,4.56,2.89,3.8373536384417317,4.784707276883463,5.732060915325195,6.679414553766926,7.626768192208658,8.574121830650391,9.52147546909212,10.468829107533853,11.416182745975586,12.363536384417316,zero
+280,3.3,95,3.331012316188504e+17,2.35,0.8544153281560676,198.5,Unknown,None,0,0.6301863751631372,0.37965392563118644,6.81,0.5741635657939429,0.40653581331367217,0.33218552910573385,0.28792672326833124,0.25743617195215196,0.2350356730967432,0.21776078837943502,0.2036479451627491,0.19196746056764596,0.18209021891398008,0.69,0.69,0.69,0.69,0.69,0.69,0.69,0.69,0.69,0.69,0.69,4.1,6.178612144735352,6.234488062228776,6.259271490298088,6.274024425577222,6.284187942682616,6.291654775634418,6.297413070540188,6.3021173516124165,6.3060108464774505,6.309303260362006,third
+273,7.82,91,4.445565138325641e+17,3.87,1.3532545070416904,184.7,Unknown,Acid,1,1.7208834374098276,1.0711634696728412,3.99,1.573442887638468,1.571571681148966,1.5709025753902013,1.5706141363745383,1.570101337983106,1.5705263871537691,1.5700135387155556,1.5702241956829808,1.5704122919783763,1.5715793027455252,4.95,2.5334428876384685,2.5315716811489666,2.5309025753902024,2.530614136374539,2.5301013379831065,2.53052638715377,2.5300135387155565,2.5302241956829814,2.530412291978377,2.5315793027455262,3.97,6.386557112361532,6.388428318851035,6.389097424609799,6.389385863625462,6.389898662016894,6.38947361284623,6.389986461284445,6.389775804317019,6.389587708021624,6.388420697254475,second
+278,3.75,92,1.285949181645172e+17,4.6,1.5260563034950492,67.6,Branched,Acid,1,0.6642257882548201,0.4700837983577569,9.53,1.687887012315223,1.6886491370128287,1.6907258533747838,1.6911330691591993,1.6900552435984115,1.6878284153921512,1.6892785252341211,1.690830045473024,1.6917377448975435,1.69037108923796,3.82,3.82,3.82,3.82,3.82,3.82,3.82,3.82,3.82,3.82,3.82,4.2,6.814037662561595,6.813783620995726,6.813091382208408,6.812955643613603,6.813314918800533,6.814057194869286,6.813573824921962,6.813056651508994,6.812754085034153,6.813209636920682,third
+273,7.54,92,2.087079731905896e+17,4.65,1.536867219599265,63.9,Unknown,None,0,0.5200210562279387,0.2853195205990632,3.6,2.3745813073458564,1.5664488587159344,1.032324228830324,0.6824945572715346,0.44988265621392065,0.297072086042242,0.19605001462575636,0.1293042244308068,0.08544129669607771,0.0563637416994343,2.98,2.98,2.98,2.98,2.98,2.98,2.98,2.98,2.98,2.98,2.98,2.34,2.34,2.34,2.34,2.34,2.34,2.34,2.34,2.34,2.34,2.34,first
+276,13.87,92,3.4446441870795654e+17,2.55,0.9360933591703348,69.1,Unknown,Base,0,1.3334257726224426,0.9822213286325427,5.28,2.3421982472123526,2.340006856909415,2.3399997944221838,2.340000536691447,2.339998009882835,2.340000433374311,2.340001535256563,2.3400008350629644,2.3399987388229166,2.3400005986051773,1.47,0.001099123606175915,3.428454707234654e-06,-1.0278890845036106e-07,2.683457231693768e-07,-9.95058582957155e-07,2.166871550171834e-07,7.676282812058855e-07,4.175314819694964e-07,-6.305885419465366e-07,2.9930258859937576e-07,0.58,2.048900876393825,2.049996571545293,2.0500001027889088,2.0499997316542773,2.0500009950585834,2.0499997833128454,2.0499992323717193,2.0499995824685184,2.050000630588542,2.0499997006974118,third
+270,2.91,99,9.834399531193733e+16,3.17,1.1537315878891892,53.7,Unknown,Acid,0,0.006908038864450598,0.005846313713528148,9.04,4.7038834826423175,3.575905545973116,2.998806594040544,2.631837281829431,2.374920887286512,2.1810888097760786,2.0265119987354163,1.901668935890295,1.7982660617589494,1.7095667404318122,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,0.87,3.07,4.515372172452561,4.891364818008961,5.083731135319819,5.206054239390189,5.291693037571163,5.35630373007464,5.4078293337548615,5.449443688036569,5.483911312747017,5.513477753189396,third
+276,2.75,92,2.0475649628212477e+17,1.59,0.4637340162321402,74.3,Ring,Enzyme,1,0.7926147794264187,0.6415465903074177,8.14,8.128429779330821,8.128148288551149,8.12855413931905,8.128484499830844,8.12817892031903,8.128541390190776,8.128516902006037,8.12841037882376,8.12829486872888,8.128464545715428,0.19,0.17842977933082094,0.17814828855114784,0.17855413931904837,0.17848449983084166,0.17817892031902943,0.17854139019077445,0.17851690200603634,0.17841037882375915,0.1782948687288768,0.1784645457154258,1.78,1.791570220669179,1.7918517114488521,1.7914458606809518,1.7915155001691585,1.7918210796809706,1.7914586098092256,1.7914830979939638,1.7915896211762408,1.7917051312711232,1.791535454284574,second
+279,11.87,96,4.4631888928799014e+17,3.09,1.128171090909654,88.2,Linear,Acid,1,0.4740090820545657,0.2672391216182134,1.46,1.2465668849736853,1.164059076815125,1.1296981658013734,1.115245729255763,1.1088333496420002,1.106140781853218,1.104875740412433,1.1044697702071415,1.1041826159362527,1.1040776538149415,0.88,0.6665668849736854,0.5840590768151251,0.5496981658013735,0.535245729255763,0.5288333496420003,0.526140781853218,0.5248757404124331,0.5244697702071415,0.5241826159362527,0.5240776538149415,0.67,0.8834331150263146,0.9659409231848749,1.0003018341986265,1.0147542707442372,1.021166650358,1.023859218146782,1.0251242595875671,1.0255302297928586,1.0258173840637475,1.0259223461850586,second
+278,11.46,90,2.356190368424911e+17,1.33,0.28517894223366247,185.5,Branched,Enzyme,0,2.891376535474188,1.8424426787824495,4.21,0.20638776657175323,0.10584782963455833,0.07115531511925742,0.05358013685639536,0.04294690652650768,0.035871354110937705,0.03077989337279965,0.02694003501745538,0.023982524901500653,0.02160146929870866,4.09,4.09,4.09,4.09,4.09,4.09,4.09,4.09,4.09,4.09,4.09,3.8,5.801806116714124,5.852076085182722,5.869422342440371,5.878209931571803,5.883526546736746,5.887064322944531,5.8896100533136,5.891529982491273,5.893008737549249,5.894199265350646,second
+277,4.32,98,3.7437497460304845e+17,1.01,0.009950330853168092,102.1,Branched,None,0,0.12374111258437909,0.06494989512845288,3.39,1.2139752334276916,0.8870204306546441,0.7329244495142544,0.6385410391897566,0.5731554814249691,0.5242404027927364,0.4864783224040646,0.45569216592616457,0.4299489559420324,0.40812844715831914,2.71,2.71,2.71,2.71,2.71,2.71,2.71,2.71,2.71,2.71,2.71,2.62,3.3453415888574365,3.4543265231151192,3.5056918501619156,3.537152986936748,3.558948172858344,3.5752531990690883,3.5878405591986455,3.5981026113579455,3.606683681352656,3.6139571842805607,third
+276,2.46,92,2.376828713033456e+17,3.51,1.2556160374777743,128.8,Ring,Enzyme,1,0.9200731602281557,0.7572501523036351,9.61,1.5333030312023699,1.5312683224225074,1.5301853502592548,1.5304829551470807,1.531685439263087,1.5327534790369408,1.5326811652739183,1.5316001196687092,1.5305911052056624,1.531963246574507,2.72,2.72,2.72,2.72,2.72,2.72,2.72,2.72,2.72,2.72,2.72,1.67,4.3622323229325435,4.362910559192497,4.363271549913581,4.363172348284307,4.362771520245638,4.362415506987688,4.362439611575362,4.362799960110432,4.363136298264781,4.362678917808498,third
+277,1.05,98,1.6973925485378275e+17,2.09,0.7371640659767196,49.2,Ring,Base,0,0.05610344085397506,0.03805445530420088,3.08,3.03511724731682,2.99023449463364,2.94535174195046,2.9004689892672797,2.8555862365840996,2.8107034839009195,2.7658207312177394,2.7209379785345593,2.6760552258513792,2.631172473168199,3.32,3.32,3.32,3.32,3.32,3.32,3.32,3.32,3.32,3.32,3.32,1.63,1.67488275268318,1.71976550536636,1.76464825804954,1.80953101073272,1.8544137634159001,1.8992965160990802,1.9441792687822603,1.9890620214654404,2.0339447741486207,2.078827526831801,zero
+273,10.45,93,3.0302307081669216e+17,1.5,0.4054651081081644,50.5,Unknown,Acid,0,0.4859761938342822,0.38835086283546766,9.71,6.581776573903259,4.4616765067829265,3.0212652567532876,2.0518770590639397,1.3908494130232842,0.9428478218107919,0.6401283197016148,0.43351441932118095,0.29432429708203384,0.19961655226555286,3.99,3.99,3.99,3.99,3.99,3.99,3.99,3.99,3.99,3.99,3.99,4.82,4.82,4.82,4.82,4.82,4.82,4.82,4.82,4.82,4.82,4.82,first
+280,6.72,91,1.9307772424493923e+17,1.33,0.28517894223366247,103.3,Branched,None,0,2.0363903765341265,1.4228494388810626,2.86,0.5608659041473523,0.11015049798231383,0.021662284509345688,0.00424975030591931,0.0008350410705622346,0.00016427321362174363,3.240605912583231e-05,6.404503770166766e-06,1.4333756325028843e-06,3.1309911448159644e-07,4.27,4.27,4.27,4.27,4.27,4.27,4.27,4.27,4.27,4.27,4.27,1.22,3.519134095852648,3.9698495020176856,4.058337715490654,4.075750249694081,4.079164958929438,4.079835726786379,4.079967593940874,4.07999359549623,4.079998566624368,4.079999686900886,first
+273,9.73,97,2.925265602359658e+17,1.23,0.20701416938432612,97.5,Branched,Acid,1,0.08052565239771788,0.05199598505566547,4.54,3.0313505662748144,2.3837492309765884,2.050185722403044,1.864131855238472,1.7521416988283716,1.6850134504016203,1.6426097633948449,1.6158072905662137,1.5996065036364033,1.588823601412162,0.4,0.4,0.4,0.4,0.4,0.4,0.4,0.4,0.4,0.4,0.4,2.33,3.084324716862593,3.4081253845117057,3.574907138798478,3.667934072380764,3.723929150585814,3.75749327479919,3.7786951183025774,3.792096354716893,3.800196748181798,3.805588199293919,second
+273,11.01,92,4.0634997516237126e+17,4.73,1.5539252025038417,79.3,Unknown,Acid,1,1.012469912154083,0.8110978403722874,4.97,1.2401278469146206,1.2397693233829545,1.240936120623157,1.2405454814357946,1.2402650448082482,1.241428196628848,1.2398508208913819,1.241985050611741,1.2397888135716406,1.2419809479639576,4.02,4.02,4.02,4.02,4.02,4.02,4.02,4.02,4.02,4.02,4.02,1.14,2.383290717695126,2.383410225539015,2.3830212931256147,2.383151506188069,2.3832449850639184,2.3828572677903845,2.3833830597028736,2.3826716497960874,2.383403728809454,2.3826730173453483,third
+277,10.67,94,4.270843062067591e+17,4.81,1.5706970841176697,70.5,Linear,Enzyme,1,0.8017498594420103,0.4621977410163706,7.76,1.5406142051449143,1.5407416637354496,1.5396700706787356,1.5383633869075584,1.540659849586302,1.5414524324932297,1.541113718117708,1.5383799563414324,1.5394825217703672,1.5403723239883504,2.09,2.09,2.09,2.09,2.09,2.09,2.09,2.09,2.09,2.09,2.09,4.26,6.333128598285028,6.333086112088182,6.333443309773753,6.3338788710308105,6.333113383471229,6.332849189168919,6.332962093960759,6.333873347886185,6.33350582607654,6.333209225337212,third
+272,5.59,96,3.7342274914236666e+17,1.7,0.5306282510621704,75.0,Branched,Enzyme,0,0.13670349863103343,0.08075831641612455,6.91,6.194157939012244,5.552476538963386,4.977030883942687,4.460722111659448,3.9979858165820588,3.5836059047309368,3.2126619270704135,2.8805290795087304,2.5828782028980415,2.3156757830344104,3.27,3.27,3.27,3.27,3.27,3.27,3.27,3.27,3.27,3.27,3.27,3.69,3.69,3.69,3.69,3.69,3.69,3.69,3.69,3.69,3.69,3.69,first
+272,2.92,93,2.3633523761344653e+17,2.91,1.0681530811834012,21.1,Ring,None,0,0.3260209421699941,0.2376329805693168,6.02,5.486981743476598,5.368361135434855,5.33950297363763,5.332369422945529,5.330590612491161,5.330147030042461,5.330036648279315,5.330009064860932,5.33000221830657,5.33000077589663,0.69,0.15698174347659832,0.0383611354348547,0.009502973637629374,0.002369422945528971,0.0005906124911607311,0.00014703004246049696,3.664827931426958e-05,9.064860931592815e-06,2.2183065690650725e-06,7.758966291944343e-07,2.37,2.9030182565234015,3.0216388645651455,3.0504970263623705,3.057630577054471,3.0594093875088393,3.0598529699575394,3.059963351720686,3.0599909351390684,3.059997781693431,3.0599992241033713,second
+276,1.77,94,3.993461396825196e+17,2.54,0.9321640810304452,101.8,Ring,Enzyme,0,0.6466189268028218,0.39217287967549413,6.01,3.5818271094546947,2.135526740669569,1.272877607306282,0.7596572642632865,0.4530151991140352,0.2701801648984414,0.1612125293221696,0.0960961649762484,0.05736974360555734,0.034213908930889964,1.27,1.27,1.27,1.27,1.27,1.27,1.27,1.27,1.27,1.27,1.27,3.74,3.74,3.74,3.74,3.74,3.74,3.74,3.74,3.74,3.74,3.74,first
+275,11.14,92,1.9701015236413226e+17,3.29,1.1908875647772805,73.7,Unknown,None,0,0.6591679479621693,0.5720042344247006,1.05,0.5226656416302645,-0.0046687167394705575,-0.5320030751092062,-1.0593374334789416,-1.5866717918486772,-2.114006150218413,-2.6413405085881485,-3.168674866957884,-3.6960092253276198,-4.223343583697355,2.88,2.88,2.88,2.88,2.88,2.88,2.88,2.88,2.88,2.88,2.88,1.27,1.7973343583697357,2.324668716739471,2.8520030751092067,3.379337433478942,3.9066717918486775,4.434006150218414,4.961340508588149,5.488674866957885,6.01600922532762,6.5433435836973555,zero
+280,10.19,90,8.779985915664029e+16,3.66,1.297463147413275,86.8,Unknown,None,0,1.4229240095101332,1.0280591985316287,1.86,0.5962088101396787,0.19102310797162847,0.061237460520450517,0.019643835946461886,0.006305049187191515,0.002023715516412291,0.000649093707330285,0.00020821113961913066,6.692596984112589e-05,2.1641087043560766e-05,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,2.01,1.05,2.3137911898603214,2.7189768920283717,2.8487625394795493,2.890356164053538,2.9036949508128087,2.9079762844835875,2.9093509062926697,2.909791788860381,2.9099330740301586,2.909978358912956,first
+271,1.38,97,8.690487230351654e+16,3.88,1.355835153635182,180.7,Branched,None,1,0.01745167829075969,0.013601286727170725,1.73,1.7033729157380082,1.6794249378276853,1.657857667878335,1.6384065616823555,1.6208423958702307,1.604976734316584,1.5906368380418605,1.5776644873843386,1.5659159820001292,1.5552621408631757,3.38,3.38,3.38,3.38,3.38,3.38,3.38,3.38,3.38,3.38,3.38,2.55,2.5633135421309956,2.575287531086157,2.586071166060832,2.595796719158822,2.6045788020648843,2.612511632841708,2.6196815809790697,2.6261677563078303,2.6320420089999352,2.637368929568412,second
+275,11.49,90,1.0380401029774992e+17,1.95,0.6678293725756554,81.2,Branched,None,1,0.8329589869982961,0.602824595908498,8.02,1.434590768045149,1.4331052375947724,1.4333403485827527,1.4344762320680868,1.4355693914728076,1.4355271860374872,1.4343324277417118,1.4332386903471093,1.433124436092902,1.4348630662233797,0.47,0.47,0.47,0.47,0.47,0.47,0.47,0.47,0.47,0.47,0.47,1.88,4.075136410651618,4.07563158746841,4.075553217139084,4.075174589310638,4.074810202842398,4.074824271320838,4.075222524086096,4.07558710321763,4.075625187969032,4.075045644592205,third
+272,6.36,92,4.476453063359263e+17,4.96,1.601405740736836,110.8,Branched,Acid,1,0.9609418484773653,0.7385185700499513,6.28,3.1058648244967118,3.0561113437576153,3.0545510685263193,3.0541154039562333,3.054253387954723,3.0545753454164717,3.054860408237122,3.0552499878637027,3.0557537707569766,3.055488261937692,4.14,0.9658648244967112,0.916111343757615,0.914551068526319,0.9141154039562328,0.9142533879547229,0.9145753454164712,0.9148604082371217,0.9152499878637022,0.9157537707569758,0.9154882619376912,0.41,3.584135175503288,3.633888656242384,3.63544893147368,3.6358845960437662,3.6357466120452764,3.635424654583528,3.6351395917628775,3.634750012136297,3.634246229243023,3.6345117380623075,second
+278,10.21,96,2.467055580530046e+17,2.72,1.000631880307906,141.5,Ring,Enzyme,1,0.2257699628269597,0.1940543189508421,8.37,7.312698677240638,6.556587226002887,6.015600123458369,5.631377745400289,5.355428254319218,5.157429488992041,5.017401533358381,4.917074489216908,4.844811956976973,4.793247212600529,3.22,3.22,3.22,3.22,3.22,3.22,3.22,3.22,3.22,3.22,3.22,1.72,2.777301322759361,3.5334127739971115,4.07439987654163,4.45862225459971,4.734571745680781,4.932570511007958,5.072598466641618,5.172925510783091,5.245188043023026,5.29675278739947,first
+275,9.06,91,3.089005395783523e+17,3.83,1.3428648031925547,154.1,Unknown,None,1,1.600579121010866,0.9187116075816046,8.32,1.408245822037436,1.4093069188405394,1.4099562250593216,1.4105311739665432,1.4109345012909853,1.410369117830047,1.4097635343890165,1.4094714389160898,1.4088947482527592,1.4095198836828207,1.34,1.34,1.34,1.34,1.34,1.34,1.34,1.34,1.34,1.34,1.34,2.57,4.8739180593208555,4.873564360386488,4.873347924980227,4.8731562753444875,4.873021832903006,4.873210294056651,4.873412155203662,4.8735095203613055,4.873701750582416,4.873493372105727,third
+280,10.41,90,3.7545138133850496e+17,3.47,1.244154593958768,179.4,Linear,Base,1,6.084733962467856,4.712230141433851,3.43,1.5475124116276102,1.5466466596515958,1.5471254581700637,1.5481343637028802,1.5502309828673428,1.5476798232628448,1.5456461612986208,1.5471570241493557,1.5482267834900239,1.5488162674703974,3.3,3.3,3.3,3.3,3.3,3.3,3.3,3.3,3.3,3.3,3.3,2.15,3.091243794186195,3.091676670174203,3.0914372709149696,3.0909328181485627,3.089884508566332,3.091160088368581,3.0921769193506923,3.091421487925325,3.0908866082549915,3.090591866264804,second
+273,11.22,98,1.8087975234526506e+17,1.82,0.598836501088704,149.4,Branched,Enzyme,1,0.032049135125659045,0.025173610026143513,3.81,3.6579351255770316,3.5276473187102764,3.4151235113115153,3.317653089494887,3.232935221737004,3.158926201388321,3.0938394466731323,3.036204082352276,2.985181905119073,2.939938276601718,1.74,1.5879351255770315,1.4576473187102765,1.3451235113115154,1.2476530894948872,1.1629352217370044,1.088926201388321,1.0238394466731322,0.9662040823522756,0.9151819051190727,0.8699382766017183,0.27,0.42206487442296836,0.5523526812897236,0.6648764886884846,0.7623469105051128,0.8470647782629958,0.9210737986116793,0.9861605533268679,1.0437959176477245,1.0948180948809274,1.1400617233982817,second
+275,6.0,92,2.713399808074724e+17,4.14,1.4206957878372228,35.6,Ring,Acid,1,0.9078649815892382,0.6531467838092828,3.17,1.0711139575541662,1.0700832167652563,1.0716667087537268,1.0702231898651888,1.0716586211802985,1.070181892270222,1.071636045432795,1.0700835361406098,1.0716267814578924,1.071088331883339,3.29,2.240556978777083,2.2400416083826284,2.2408333543768637,2.240111594932594,2.240829310590149,2.2400909461351106,2.2408180227163967,2.2400417680703044,2.2408133907289454,2.2405441659416687,2.52,3.569443021222917,3.5699583916173716,3.5691666456231363,3.569888405067406,3.569170689409851,3.5699090538648894,3.5691819772836033,3.5699582319296956,3.5691866092710547,3.5694558340583313,third
+273,4.16,97,3.4803434961594797e+17,1.24,0.2151113796169455,101.2,Unknown,Acid,0,0.09580563569008156,0.06287950140235697,5.36,4.96453387615089,4.598246105364808,4.25896722321109,3.9446654930794427,3.6535589100511796,3.383974226714843,3.1343314135198734,2.903143658776603,2.689017368656264,2.4906521671909805,4.98,4.98,4.98,4.98,4.98,4.98,4.98,4.98,4.98,4.98,4.98,3.6,3.6,3.6,3.6,3.6,3.6,3.6,3.6,3.6,3.6,3.6,first
+277,8.53,96,4.493283367676902e+17,4.44,1.4906543764441336,92.1,Branched,Enzyme,1,0.353940329611422,0.2917088740424843,3.29,3.139727160505041,3.050948403325902,2.997410059695051,2.9653867292730074,2.947279148713549,2.9354401494246,2.9284625954558807,2.9250111914802823,2.922631003704457,2.921035340403919,1.99,1.99,1.99,1.99,1.99,1.99,1.99,1.99,1.99,1.99,1.99,3.17,3.320272839494959,3.409051596674098,3.462589940304949,3.4946132707269926,3.512720851286451,3.5245598505754,3.5315374045441192,3.5349888085197176,3.537368996295543,3.538964659596081,first
+271,4.21,98,4.61652603789956e+17,3.31,1.1969481893889715,45.7,Ring,Acid,1,0.05947762953684349,0.04625239563347971,8.66,2.002427806780952,1.6365766187866444,1.5305816274591777,1.493571219553396,1.4802710836572948,1.4744624719702342,1.4729695545331845,1.4717354223999988,1.4715823237775232,1.4717065070353708,0.81,0.81,0.81,0.81,0.81,0.81,0.81,0.81,0.81,0.81,0.81,1.7,3.9191907310730163,4.041141127071119,4.076472790846941,4.0888095934822015,4.093242972114235,4.095179176009922,4.095676815155605,4.096088192533334,4.096139225407493,4.096097830988209,third
+277,12.48,96,3.4492379719319654e+17,2.06,0.7227059828014898,24.7,Ring,Enzyme,0,0.2716998517111148,0.15993039175238688,4.4,1.1920086020371268,0.8066551844259622,0.6314951633004788,0.5263535688697227,0.45554614066446064,0.4031833305114069,0.36328441201281303,0.3314310489072601,0.30510230658776666,0.283069169664903,2.64,1.0360043010185631,0.8433275922129807,0.755747581650239,0.703176784434861,0.6677730703322299,0.6415916652557031,0.6216422060064061,0.6057155244536296,0.592551153293883,0.5815345848324511,4.47,6.073995698981437,6.26667240778702,6.354252418349762,6.406823215565139,6.44222692966777,6.468408334744297,6.488357793993594,6.5042844755463705,6.517448846706118,6.52846541516755,third
+270,4.77,90,3.792449020343041e+17,3.24,1.1755733298042381,56.2,Ring,Acid,0,1.4680614282456623,0.8592609442534812,6.85,1.099629085253932,0.979417305319747,0.946766367655563,0.9359446126207205,0.9321384534344817,0.9307731282158028,0.9302798605425385,0.9301011376437298,0.930036828523495,0.9300137058295944,2.96,0.08481454262696624,0.02470865265987373,0.008383183827781686,0.0029723063103604267,0.0010692267172410337,0.0003865641079016437,0.00013993027126951612,5.0568821865166825e-05,1.8414261747799013e-05,6.852914797471056e-06,4.64,7.515185457373033,7.5752913473401255,7.591616816172217,7.597027693689639,7.598930773282758,7.599613435892097,7.59986006972873,7.599949431178134,7.599981585738251,7.599993147085201,third
+278,1.97,94,2.3355641589932618e+17,3.33,1.2029723039923526,102.9,Ring,Enzyme,0,0.5077867672170223,0.33746159716974766,5.75,1.0168462099547295,0.5577616535508949,0.3843607044194202,0.29325157840642824,0.23682228510044118,0.19886741150638532,0.17126056192178482,0.15032918285755922,0.1341203158125668,0.1210167905973783,3.76,3.76,3.76,3.76,3.76,3.76,3.76,3.76,3.76,3.76,3.76,3.55,5.916576895022636,6.1461191732245535,6.232819647790291,6.278374210796787,6.30658885744978,6.3255662942468085,6.339369719039109,6.349835408571221,6.357939842093717,6.364491604701311,second
+270,8.11,90,4.443765110497605e+16,2.83,1.0402767116551463,163.3,Branched,Acid,1,0.1720186644543283,0.1382095542336273,6.26,4.104204649011054,3.3894688592887503,3.089417089627152,2.9512567828640104,2.883926602427844,2.851355143096776,2.834813102518646,2.827008087666715,2.822735712335333,2.820756186857386,4.85,2.694204649011054,1.9794688592887508,1.679417089627152,1.5412567828640102,1.473926602427844,1.4413551430967764,1.4248131025186461,1.417008087666715,1.4127357123353335,1.4107561868573864,1.5,3.6557953509889454,4.370531140711249,4.670582910372848,4.808743217135989,4.8760733975721555,4.908644856903223,4.925186897481353,4.932991912333284,4.937264287664666,4.939243813142613,second
+271,13.46,98,1.944222766151337e+17,0.8,-0.2231435513142097,184.2,Linear,Acid,0,0.025048653570436594,0.016060042207290185,3.39,2.984480283264069,2.6657027140310747,2.4074935551597236,2.1948271050390753,2.018654924725878,1.8705377912229255,1.7425939380003146,1.629017781460206,1.5291847537966219,1.4408800873505276,4.45,4.45,4.45,4.45,4.45,4.45,4.45,4.45,4.45,4.45,4.45,3.62,3.822759858367965,3.9821486429844626,4.111253222420138,4.217586447480462,4.305672537637061,4.379731104388537,4.443703030999842,4.5004911092698965,4.550407623101689,4.594559956324736,second
+271,9.1,93,2.0343502233551827e+17,4.4,1.4816045409242156,43.6,Unknown,Acid,0,0.2411224434755745,0.18484225870092214,6.85,5.648260352590142,4.657383264515567,3.8385692522355774,3.162848768760047,2.6078665185527874,2.1526338166225263,1.7775236369542822,1.4658996432052853,1.2087289512452926,0.9967059462132525,3.79,3.79,3.79,3.79,3.79,3.79,3.79,3.79,3.79,3.79,3.79,2.59,2.59,2.59,2.59,2.59,2.59,2.59,2.59,2.59,2.59,2.59,first
+273,1.36,96,9.606117748295474e+16,4.65,1.536867219599265,60.3,Ring,Base,0,0.04108274383601725,0.02905841045694391,4.57,4.422242890741127,4.279263067361851,4.14090602223358,4.00702181378316,3.877466324580998,3.7521000165868488,3.630787493372312,3.5133975001208353,3.399802923627711,3.289880792300079,0.16,0.16,0.16,0.16,0.16,0.16,0.16,0.16,0.16,0.16,0.16,4.92,5.067757109258873,5.21073693263815,5.349093977766421,5.48297818621684,5.6125336754190025,5.737899983413151,5.8592125066276886,5.976602499879165,6.090197076372289,6.200119207699921,first
+278,6.95,91,1.7907354250197818e+17,2.8,1.0296194171811581,193.2,Ring,None,1,1.425688105334397,0.8692804168664385,9.64,2.3189952134065184,2.3180332252440303,2.318279921470636,2.3189960960046134,2.31941421954231,2.319739734247423,2.3195067441935775,2.318661370277372,2.3183095350401297,2.3190728690999034,4.23,0.5694976067032599,0.5690166126220157,0.5691399607353185,0.569498048002307,0.5697071097711554,0.5698698671237117,0.5697533720967891,0.5693306851386861,0.5691547675200652,0.5695364345499522,1.36,5.02050239329674,5.020983387377984,5.020860039264681,5.0205019519976934,5.020292890228844,5.020130132876288,5.020246627903211,5.020669314861314,5.020845232479934,5.020463565450049,third
+275,1.53,92,3.6601371207101984e+17,2.48,0.9082585601768908,52.7,Linear,None,1,1.2246298204264274,1.0717045191231394,2.0,0.9512317491897501,0.9289041520332683,0.9284329871746727,0.928755374586782,0.9290542879911845,0.9295318181223656,0.9293634884204521,0.9284380075266275,0.9279341204278875,0.9284146175526525,2.94,1.8912317491897503,1.8689041520332685,1.868432987174673,1.8687553745867822,1.8690542879911847,1.869531818122366,1.8693634884204522,1.8684380075266276,1.8679341204278874,1.8684146175526526,0.91,1.9587682508102497,1.9810958479667315,1.981567012825327,1.9812446254132179,1.9809457120088154,1.9804681818776342,1.980636511579548,1.9815619924733725,1.9820658795721127,1.9815853824473475,second
+279,6.06,90,3.71194621981889e+17,0.69,-0.37106368139083207,177.0,Unknown,Base,0,5.237321487256435,3.680061578423342,1.04,0.015824011141613675,0.00024092714971712056,3.7939540962673176e-06,2.73977564305731e-07,9.767653348232045e-08,-1.663203209811799e-07,-5.213803535475583e-07,5.623810173790675e-07,1.303379416301064e-06,5.192635485719229e-07,0.01,0.01,0.01,0.01,0.01,0.01,0.01,0.01,0.01,0.01,0.01,2.29,2.29,2.29,2.29,2.29,2.29,2.29,2.29,2.29,2.29,2.29,first
+273,3.11,95,9.588545237159406e+16,4.59,1.5238800240724537,127.0,Linear,Enzyme,0,0.06370988857120723,0.0403492987835371,8.23,7.8210443509447805,7.432410166105204,7.063086425045952,6.712105362715918,6.378564659480952,6.061604824187102,5.760403144624171,5.474173687525725,5.202167298569092,4.943671602375359,4.85,4.85,4.85,4.85,4.85,4.85,4.85,4.85,4.85,4.85,4.85,0.98,0.98,0.98,0.98,0.98,0.98,0.98,0.98,0.98,0.98,0.98,first
+279,10.64,95,3.670560255406076e+17,3.01,1.1019400787607843,143.4,Branched,Base,1,0.5999311978077517,0.4596336964359057,4.65,1.4645343318329729,1.4658940333795727,1.4667806873460567,1.4658271619169427,1.4646913227261675,1.464443878212543,1.463346514513544,1.4639564540810452,1.4646734910487222,1.465520839469278,2.48,2.48,2.48,2.48,2.48,2.48,2.48,2.48,2.48,2.48,2.48,3.04,4.10182188938901,4.101368655540143,4.101073104217982,4.101390946027688,4.101769559091279,4.10185204059582,4.102217828495486,4.102014515306319,4.101775502983761,4.101493053510243,third
+273,1.2,96,3.2451663441650394e+17,2.58,0.9477893989335261,64.1,Unknown,Enzyme,0,0.1387869075894406,0.11620480156654324,5.59,5.002558514906793,4.476852576320912,4.0061778049304255,3.5845473202246527,3.207301267364299,2.8700688283132365,2.5687242000962245,2.2993865947989036,2.058420239567798,1.8424343766103162,1.25,1.25,1.25,1.25,1.25,1.25,1.25,1.25,1.25,1.25,1.25,1.59,1.59,1.59,1.59,1.59,1.59,1.59,1.59,1.59,1.59,1.59,first
+273,3.79,98,1.6695075653854413e+17,3.45,1.2383742310432684,61.9,Branched,None,0,0.02958112937605905,0.01858253555348831,6.38,6.356335096499153,6.332670192998306,6.309005289497458,6.285340385996611,6.261675482495764,6.238010578994917,6.214345675494069,6.190680771993222,6.167015868492375,6.143350964991527,1.29,1.29,1.29,1.29,1.29,1.29,1.29,1.29,1.29,1.29,1.29,0.65,0.6736649035008473,0.6973298070016946,0.7209947105025417,0.744659614003389,0.7683245175042362,0.7919894210050835,0.8156543245059308,0.839319228006778,0.8629841315076253,0.8866490350084726,zero
+273,1.04,95,4.8830490139091757e+17,0.79,-0.23572233352106983,72.6,Linear,None,0,0.3244480793168364,0.22175597868713942,8.12,6.263692768423547,4.831009796850653,3.724921257849566,2.8746354088515247,2.21909476625745,1.7108120830127658,1.3194750523495038,1.0189269088000303,0.7863690778726974,0.606601467816815,0.45,0.45,0.45,0.45,0.45,0.45,0.45,0.45,0.45,0.45,0.45,2.3,4.156307231576452,5.588990203149347,6.695078742150434,7.545364591148475,8.200905233742551,8.709187916987235,9.100524947650497,9.40107309119997,9.633630922127304,9.813398532183186,first
+278,5.02,95,2.88822373705748e+17,1.03,0.02955880224154443,185.1,Branched,Enzyme,0,0.4073983214216586,0.2249585269074314,9.79,7.066997082642071,5.100223169716076,3.6799676150916727,2.6594653956924637,1.919421520001288,1.3850645371581396,1.0013004665422554,0.7226711067506677,0.5216503060146891,0.3769213124996802,2.88,2.88,2.88,2.88,2.88,2.88,2.88,2.88,2.88,2.88,2.88,3.83,6.5530029173579285,8.519776830283924,9.940032384908326,10.960534604307536,11.700578479998711,12.234935462841861,12.618699533457745,12.897328893249332,13.09834969398531,13.243078687500319,first
+277,10.78,100,4.7148112940041946e+17,2.58,0.9477893989335261,45.4,Ring,Base,0,0.06539017277228588,0.03554219590582412,2.65,2.6025146824983634,2.5617724605578975,2.526605712257627,2.4961314460809683,2.469754614387982,2.4469184811270046,2.42710053656971,2.4098124973111066,2.39460030626954,2.381146609358739,0.37,0.32251468249836324,0.2817724605578975,0.24660571225762723,0.2161314460809683,0.18975461438798197,0.1669184811270048,0.14710053656970984,0.1298124973111064,0.11460030626953996,0.10114660935873893,4.72,4.767485317501636,4.808227539442102,4.843394287742372,4.873868553919031,4.900245385612018,4.923081518872995,4.94289946343029,4.9601875026888935,4.97539969373046,4.98885339064126,second
+279,2.46,94,3.03775116699292e+17,3.45,1.2383742310432684,156.2,Linear,Enzyme,0,0.7640978527376902,0.6482608475086373,6.65,3.6087612223758976,1.9575458559238696,1.0625703335319656,0.5774312356473594,0.31309663522012066,0.17015604146678687,0.09240478688470358,0.05012763375757637,0.027257068477751792,0.014792863930845356,0.06,0.06,0.06,0.06,0.06,0.06,0.06,0.06,0.06,0.06,0.06,0.88,3.9212387776241027,5.572454144076131,6.467429666468035,6.952568764352641,7.21690336477988,7.359843958533214,7.437595213115297,7.479872366242425,7.502742931522249,7.515207136069155,first
+271,1.03,95,3.663875705134518e+17,2.57,0.9439058989071284,193.4,Ring,Enzyme,0,0.1787488374691884,0.15359291901800418,5.7,5.55700093002465,5.414001860049298,5.271002790073949,5.128003720098597,4.985004650123247,4.842005580147895,4.699006510172545,4.5560074401971935,4.413008370221843,4.270009300246492,1.46,1.46,1.46,1.46,1.46,1.46,1.46,1.46,1.46,1.46,1.46,1.14,1.2829990699753506,1.4259981399507016,1.568997209926052,1.7119962799014026,1.8549953498767535,1.9979944198521045,2.1409934898274554,2.2839925598028064,2.4269916297781577,2.569990699753509,zero
+277,8.83,99,4.750609317994433e+17,1.18,0.16551443847757333,180.8,Ring,None,0,0.10171312654142836,0.07539435932184127,2.19,2.1086294987668572,2.0272589975337145,1.9458884963005716,1.864517995067429,1.7831474938342864,1.7017769926011435,1.6204064913680007,1.5390359901348578,1.457665488901715,1.3762949876685722,0.54,0.54,0.54,0.54,0.54,0.54,0.54,0.54,0.54,0.54,0.54,4.4,4.481370501233143,4.562741002466286,4.644111503699428,4.72548200493257,4.806852506165713,4.888223007398857,4.9695935086319984,5.050964009865142,5.132334511098285,5.2137050123314275,zero
+275,13.63,100,3.6061516584534024e+16,1.24,0.2151113796169455,157.9,Branched,Acid,1,0.0036470642668495405,0.0023486505269090896,7.15,7.090863305643916,7.0335754347,6.978060012252091,6.9242445556642505,6.872060801904054,6.821444156198088,6.772333000737015,6.724668694036925,6.678395570939346,6.633460942611234,3.21,3.1508633056439157,3.0935754347,3.03806001225209,2.9842445556642496,2.9320608019040533,2.8814441561980875,2.8323330007370133,2.7846686940369243,2.7383955709393453,2.6934609426112326,3.66,3.7191366943560844,3.7764245653,3.83193998774791,3.8857554443357505,3.937939198095947,3.9885558438019126,4.037666999262987,4.085331305963076,4.131604429060655,4.1765390573887675,second
+270,4.87,100,2.3804783348565626e+17,4.98,1.6054298910365616,189.4,Linear,Base,0,0.010710322315163723,0.005741656101657971,1.6,1.5620588072313866,1.5255040439469438,1.4902629474100768,1.4562674544125345,1.4234547746691728,1.3917663005209173,1.361146780689975,1.3315443202798363,1.3029103807752729,1.27519978004234,2.82,2.7820588072313868,2.745504043946944,2.710262947410077,2.6762674544125344,2.643454774669173,2.6117663005209173,2.5811467806899753,2.5515443202798362,2.5229103807752726,2.49519978004234,3.45,3.4879411927686133,3.524495956053056,3.5597370525899232,3.5937325455874656,3.626545225330827,3.6582336994790827,3.688853219310025,3.7184556797201638,3.7470896192247274,3.77480021995766,second
+278,3.15,100,2.7644896418313056e+16,3.99,1.3837912309017721,118.4,Branched,Enzyme,0,0.004482264654558507,0.0036312425785756867,3.29,3.286414188276353,3.282828376552706,3.2792425648290595,3.275656753105413,3.2720709413817657,3.2684851296581194,3.2648993179344723,3.2613135062108256,3.257727694487179,3.2541418827635322,0.33,0.33,0.33,0.33,0.33,0.33,0.33,0.33,0.33,0.33,0.33,2.12,2.1235858117236472,2.127171623447294,2.1307574351709406,2.1343432468945873,2.1379290586182345,2.1415148703418807,2.145100682065528,2.1486864937891745,2.1522723055128212,2.155858117236468,zero
+279,1.38,92,9.27093805788373e+16,3.66,1.297463147413275,74.6,Branched,None,0,0.5523010258404811,0.4528127650019003,3.33,2.14042765050138,1.376006230632151,0.8838225755666397,0.5694288257456266,0.36569099954598405,0.23551327952451867,0.1512928808843553,0.09737771446611829,0.06263471685556937,0.040275052675883515,1.64,1.64,1.64,1.64,1.64,1.64,1.64,1.64,1.64,1.64,1.64,1.77,1.77,1.77,1.77,1.77,1.77,1.77,1.77,1.77,1.77,1.77,first
+275,5.72,95,6.878580673610271e+16,4.02,1.3912819026309295,145.9,Branched,Enzyme,1,0.06196597575774783,0.05415553504822021,5.37,3.7118051175353743,2.967655505543509,2.5737843126479567,2.3487492148552414,2.2132107460042034,2.129447383140713,2.0776821764183153,2.043570383678534,2.022450472572053,2.009255135482465,0.36,0.36,0.36,0.36,0.36,0.36,0.36,0.36,0.36,0.36,0.36,2.81,3.639097441232313,4.011172247228246,4.208107843676022,4.32062539257238,4.388394626997899,4.430276308429644,4.456158911790842,4.4732148081607335,4.483774763713973,4.490372432258768,second
+270,3.06,91,4.687456395753589e+17,4.61,1.5282278570085572,45.3,Unknown,Enzyme,1,1.1622327272104365,0.6218503955495862,1.55,0.34379830505876346,0.34278905551825806,0.34307030894758556,0.3428192676066967,0.3425701252503134,0.34266060291047395,0.3426747802085721,0.3431505820092627,0.3431310497494879,0.3429911683649833,4.99,4.386899152529382,4.38639452775913,4.386535154473793,4.386409633803349,4.3862850626251575,4.386330301455238,4.386337390104287,4.386575291004632,4.386565524874745,4.386495584182492,0.36,0.9631008474706183,0.9636054722408709,0.9634648455262071,0.9635903661966515,0.963714937374843,0.9636696985447628,0.9636626098957138,0.9634247089953686,0.9634344751252559,0.9635044158175083,third
+275,9.8,93,3.2921027980392723e+17,0.93,-0.07257069283483537,157.7,Branched,None,0,0.7112624099136158,0.5115476471611096,3.95,2.2358147113392577,1.26508360719142,0.7171683792407004,0.4056273513051592,0.23000211188260428,0.1301879500328165,0.07374103388939583,0.04180268644162465,0.023647871090401774,0.01341433281293731,2.65,2.65,2.65,2.65,2.65,2.65,2.65,2.65,2.65,2.65,2.65,2.16,3.8741852886607426,4.844916392808581,5.3928316207593,5.704372648694842,5.879997888117397,5.979812049967185,6.036258966110605,6.068197313558376,6.086352128909599,6.096585667187064,first
+278,2.65,95,4.50759345104236e+17,3.96,1.3762440252663892,120.1,Branched,Enzyme,0,0.6358184728018431,0.4590094682853562,1.18,0.6713452217585254,0.16269044351705078,-0.3459643347244239,-0.8546191129658982,-1.3632738912073723,-1.8719286694488482,-2.380583447690322,-2.8892382259317975,-3.3978930041732722,-3.906547782414747,0.58,0.58,0.58,0.58,0.58,0.58,0.58,0.58,0.58,0.58,0.58,3.34,3.8486547782414746,4.3573095564829485,4.865964334724423,5.374619112965897,5.883273891207372,6.3919286694488475,6.900583447690321,7.409238225931796,7.917893004173272,8.426547782414747,zero
+273,10.54,96,1.3826890785727325e+17,3.13,1.1410330045520618,108.7,Branched,Acid,0,0.05913383815219402,0.0372111445017028,3.42,1.6483888359981445,1.2395551996619012,1.0353930553785562,0.9066987150636415,0.8172063613073294,0.749046869696759,0.6959752301492015,0.6530895343454525,0.6168798987110626,0.5860414392866172,4.54,4.54,4.54,4.54,4.54,4.54,4.54,4.54,4.54,4.54,4.54,1.61,2.2005370546672856,2.3368149334460333,2.4048689815404813,2.4477670949787864,2.4775978795642235,2.5003177101010805,2.518008256616933,2.532303488551516,2.5443733670963127,2.554652853571128,third
+277,9.55,96,3.3986170265661056e+17,2.56,0.9400072584914712,158.0,Linear,None,1,0.26771239028882365,0.194337961528711,9.4,7.801461393461863,6.695784102037615,5.933592624506925,5.406433315687112,5.0412769343530055,4.790857096975375,4.616154060334764,4.495404007621849,4.4134834108756325,4.356195321015842,3.47,3.47,3.47,3.47,3.47,3.47,3.47,3.47,3.47,3.47,3.47,0.65,2.2485386065381374,3.3542158979623844,4.1164073754930754,4.643566684312888,5.008723065646994,5.259142903024625,5.433845939665236,5.554595992378151,5.636516589124367,5.693804678984158,first
+272,9.03,92,3.336660381126e+17,3.83,1.3428648031925547,115.2,Ring,Enzyme,0,0.7162672207210141,0.5125143398160689,9.17,0.5397296483945494,0.38170079335403845,0.3118814094536891,0.2700938261698125,0.24164180694797208,0.22048664195029383,0.20425769379869788,0.19110063606127223,0.1801269955453722,0.17085030907264517,3.41,3.41,3.41,3.41,3.41,3.41,3.41,3.41,3.41,3.41,3.41,1.12,3.996756783868484,4.049433068881988,4.07270619684877,4.0866353912767295,4.096119397684009,4.103171119349902,4.108580768733767,4.1129664546462426,4.116624334818209,4.119716563642451,third
+279,4.77,99,2.5116903559616163e+17,1.05,0.04879016416943205,171.2,Linear,Base,1,0.0731853934390142,0.05800256768260777,9.27,3.9437056536963357,3.455541646797325,3.316130416675336,3.268940351860537,3.2523934360963516,3.2461327478912807,3.2439289595753724,3.2430751687369304,3.242923575283154,3.242724407208531,3.47,0.8068528268481685,0.5627708233986631,0.4930652083376684,0.46947017593026896,0.46119671804817614,0.45806637394564087,0.4569644797876866,0.4565375843684657,0.4564617876415773,0.4563622036042658,3.04,5.703147173151832,5.947229176601338,6.016934791662332,6.040529824069732,6.048803281951825,6.0519336260543595,6.053035520212314,6.053462415631535,6.053538212358423,6.053637796395734,third
+277,4.45,94,1.7250599980442774e+17,1.34,0.29266961396282004,122.5,Branched,Base,0,0.3238392492679108,0.1954316610680089,9.63,0.800831126891603,0.5676331752968051,0.4635404655328528,0.40144664566846633,0.35921182956975395,0.3280294030110119,0.303536776937443,0.2839940700118195,0.26791665058463615,0.25416343403576414,4.62,4.62,4.62,4.62,4.62,4.62,4.62,4.62,4.62,4.62,4.62,1.74,4.683056291036132,4.760788941567731,4.795486511489049,4.816184451443844,4.830262723476748,4.840656865662996,4.848821074354185,4.855335309996059,4.860694449805121,4.865278855321412,third
+271,9.33,98,3.252239061934675e+17,0.67,-0.40047756659712525,176.1,Linear,Base,0,0.04190065614338261,0.02144966270361243,6.86,4.70362676407335,3.587989372601328,2.8951734929780484,2.423739545392159,2.0869519630725226,1.8324467547028649,1.6313855311952667,1.4711238499717418,1.3404768277536072,1.2303903574919908,1.81,1.81,1.81,1.81,1.81,1.81,1.81,1.81,1.81,1.81,1.81,3.7,4.778186617963325,5.336005313699336,5.682413253510975,5.918130227303921,6.086524018463739,6.213776622648568,6.314307234402366,6.394438075014129,6.4597615861231965,6.514804821254005,second
+280,10.13,91,4.471251988228726e+17,2.63,0.9669838461896731,52.8,Unknown,Enzyme,0,4.715828589494427,3.5817479836770225,9.97,0.22979571374801272,0.005304862365831427,0.00012286667357833274,2.7676111634871248e-06,3.06968799198163e-08,-9.137825622238077e-07,1.5715494725915958e-07,-2.3589208992827784e-07,-2.3698004553147564e-07,1.7089247243319037e-07,1.36,1.36,1.36,1.36,1.36,1.36,1.36,1.36,1.36,1.36,1.36,3.47,3.47,3.47,3.47,3.47,3.47,3.47,3.47,3.47,3.47,3.47,first
+272,3.92,98,2.8595396371599286e+17,1.69,0.5247285289349821,53.1,Ring,Base,1,0.04322976466775293,0.03449658986967759,7.07,3.7617545757254467,3.068420168452553,2.77264760063588,2.6214336984065674,2.536094147077953,2.487135896221326,2.4570780819141933,2.4396509368790276,2.4287273825273967,2.4218982110493594,3.09,1.435877287862723,1.0892100842262762,0.9413238003179397,0.8657168492032833,0.8230470735389763,0.7985679481106627,0.7835390409570964,0.7748254684395134,0.769363691263698,0.7659491055246795,3.21,4.864122712137277,5.210789915773724,5.35867619968206,5.434283150796716,5.476952926461023,5.501432051889337,5.516460959042903,5.525174531560486,5.530636308736301,5.534050894475319,third
+272,5.33,92,1.4579769118206934e+17,2.76,1.0152306797290584,180.7,Linear,Acid,0,0.3129779333888341,0.23898351666566808,3.96,3.082851377317037,2.3999596709831965,1.867035003682977,1.4531909693539282,1.1326889692497573,0.8824430475272069,0.6865081537767812,0.5344277918072291,0.41656535221814595,0.3244607709464171,3.08,3.08,3.08,3.08,3.08,3.08,3.08,3.08,3.08,3.08,3.08,4.24,5.117148622682963,5.800040329016804,6.332964996317023,6.746809030646072,7.067311030750243,7.317556952472794,7.51349184622322,7.6655722081927715,7.783434647781855,7.875539229053583,first
+275,1.07,98,4.242409804055415e+17,1.27,0.23901690047049992,115.6,Branched,Base,1,0.1028996880707831,0.07737482105234852,5.25,1.784367991565845,1.6613067408527509,1.6463499544846387,1.6445865320111461,1.6446768258734052,1.6432583442983864,1.645608917588394,1.643385248761651,1.6451312293989326,1.6446831271250146,4.05,4.05,4.05,4.05,4.05,4.05,4.05,4.05,4.05,4.05,4.05,4.71,5.865210669478052,5.906231086382417,5.911216681838454,5.911804489329618,5.911774391375531,5.912247218567204,5.911463694137202,5.912204917079449,5.911622923533689,5.911772290958329,third
+278,7.83,92,1.1317518738892368e+17,2.07,0.7275486072772777,115.9,Unknown,Base,0,0.5845789174819609,0.44501336838488265,1.32,0.545122286384717,0.4030915933466913,0.33413311336126716,0.29175269891582467,0.262159015951144,0.2402757299893713,0.2228699088995184,0.20880046042591568,0.19716991472307727,0.18727358741344347,0.17,0.17,0.17,0.17,0.17,0.17,0.17,0.17,0.17,0.17,0.17,2.41,2.6682925712050944,2.715636135551103,2.7386222955462443,2.7527491003613918,2.762613661349619,2.769908090003543,2.775710030366827,2.780399846524695,2.7842766950923075,2.7875754708621856,third
+278,1.93,98,3.165480634127962e+17,1.66,0.5068176023684519,68.9,Linear,Base,1,0.12193392088373123,0.0716720500176587,2.8,2.534894344639553,2.3571279295073273,2.234144353377478,2.146345230599025,2.0827414922856584,2.0363351078187795,2.0017142389303872,1.975909416701627,1.9567614510414189,1.9423243735905555,1.22,0.9548943446395527,0.7771279295073273,0.6541443533774782,0.5663452305990252,0.5027414922856588,0.4563351078187799,0.42171423893038756,0.3959094167016273,0.3767614510414193,0.3623243735905559,0.12,0.3851056553604473,0.5628720704926726,0.6858556466225217,0.7736547694009748,0.8372585077143413,0.88366489218122,0.9182857610696123,0.9440905832983726,0.9632385489585806,0.977675626409444,second
+276,8.6,91,3.0536006445674125e+17,1.12,0.11332868530700327,158.8,Linear,None,1,1.8276771940453098,1.2178627671430131,8.84,1.5282237031332897,1.5253449745184056,1.528183854374978,1.52553927165895,1.5280089256672533,1.5255434365733467,1.5277567060915909,1.5258262380076884,1.5274781868598244,1.5271503522310585,1.61,1.61,1.61,1.61,1.61,1.61,1.61,1.61,1.61,1.61,1.61,2.9,5.337258765622236,5.338218341827198,5.3372720485416725,5.338153576113682,5.337330358110915,5.338152187808883,5.337414431302801,5.338057920664101,5.3375072710467215,5.33761654925631,third
+275,12.06,99,8.935368484961395e+16,0.73,-0.31471074483970024,176.0,Branched,None,1,0.013994677725770512,0.009761174083168005,7.86,3.5088395608930774,2.6625709577485925,2.2661358297619927,2.036190486348142,1.885154026261664,1.7822394115112166,1.7065259967658117,1.6508683758960054,1.6097030716500271,1.577842334837975,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,2.33,3.7803868130356406,4.062476347417135,4.194621390079336,4.271269837883953,4.3216153245794455,4.355920196162928,4.381158001078063,4.399710541367998,4.413432309449991,4.424052555054009,third
+275,2.61,99,1.4626208838872224e+17,4.74,1.556037135706985,65.1,Unknown,None,0,0.022907737872739475,0.015932032000431737,8.9,8.738382346536332,8.57969955525443,8.423898331474847,8.27092632635887,8.12073215759715,7.9732654312488185,7.828476630717949,7.6863171128376555,7.546739107870087,7.409695719506435,0.81,0.81,0.81,0.81,0.81,0.81,0.81,0.81,0.81,0.81,0.81,3.79,3.79,3.79,3.79,3.79,3.79,3.79,3.79,3.79,3.79,3.79,first
+270,13.73,95,1.1124452217095757e+17,3.49,1.2499017362143359,25.8,Ring,Acid,0,0.04642586743354238,0.0353085376039265,4.72,4.519891101655708,4.357385922769126,4.223447600365452,4.112286252418714,4.019808202208338,3.942301292926794,3.876433465956104,3.8196900931784463,3.771092252638592,3.7293513039573725,1.27,1.0698911016557087,0.9073859227691254,0.7734476003654519,0.6622862524187133,0.5698082022083386,0.492301292926794,0.426433465956104,0.3696900931784463,0.3210922526385922,0.27935130395737273,3.8,4.000108898344291,4.162614077230874,4.296552399634548,4.407713747581286,4.500191797791661,4.577698707073206,4.643566534043895,4.700309906821554,4.748907747361407,4.790648696042627,second
+278,8.57,94,9.261650794695222e+16,1.56,0.44468582126144574,28.9,Branched,Acid,0,0.2013622146932775,0.16949508788943485,2.49,2.1195239971305035,1.8041751642668071,1.5352849130530766,1.3059983162831417,1.1112357087653773,0.9461780667612504,0.8062554488221043,0.6871469957891585,0.5850445792779267,0.4979993435185919,4.39,4.39,4.39,4.39,4.39,4.39,4.39,4.39,4.39,4.39,4.39,2.71,2.71,2.71,2.71,2.71,2.71,2.71,2.71,2.71,2.71,2.71,first
+272,12.12,98,1.6411446590783014e+17,0.69,-0.37106368139083207,36.7,Branched,None,0,0.0248103913216457,0.013820015741099671,1.53,1.3528955201106625,1.2261495523345856,1.1288626343543613,1.0517704077687724,0.9895293834785254,0.9374591185347797,0.8920492837445748,0.8525652838812097,0.8179154062041183,0.787164629451718,3.46,3.46,3.46,3.46,3.46,3.46,3.46,3.46,3.46,3.46,3.46,4.32,4.37903482662978,4.421283482555139,4.453712455215213,4.479409864077077,4.500156872173825,4.517513627155074,4.53265023875181,4.5458115720395975,4.557361531265295,4.567611790182761,third
+276,7.27,93,4.038381256051137e+17,2.83,1.0402767116551463,116.1,Unknown,Enzyme,1,1.0110415799821748,0.7207964893978808,7.25,4.347435415793024,3.622182636513327,3.440756728145437,3.394893481893435,3.3830796348371717,3.380923511135183,3.3795719158539295,3.380077712209327,3.379451069244806,3.3799378742148,4.85,4.85,4.85,4.85,4.85,4.85,4.85,4.85,4.85,4.85,4.85,0.87,3.772564584206976,4.497817363486673,4.679243271854563,4.725106518106565,4.7369203651628276,4.739076488864817,4.74042808414607,4.739922287790672,4.740548930755194,4.740062125785199,first
+278,3.81,97,2.799844400923992e+17,2.84,1.0438040521731147,128.2,Ring,Acid,0,0.16623403603792455,0.1060303346975655,7.83,1.1106697087230346,0.7888967855157116,0.6455608192352288,0.5593394562704163,0.500762018942135,0.4570003194673686,0.4233878945240144,0.39626567482427544,0.37355354939798563,0.354347621889192,1.81,1.81,1.81,1.81,1.81,1.81,1.81,1.81,1.81,1.81,1.81,0.05,2.2897767637589883,2.397034404828096,2.4448130602549236,2.473553514576528,2.4930793270192884,2.507666560177544,2.5188707018253282,2.5279114417252413,2.5354821502006715,2.541884126036936,third
+277,10.59,91,2.4907495691151667e+17,2.61,0.959350221334602,87.3,Branched,Enzyme,0,1.7202592360780318,1.107072519832492,2.34,0.5916521576203183,0.14949533085305738,0.03786055963595012,0.009561277469724464,0.0024204362256361944,0.0006121479511542195,0.0001545257114813462,3.902584333939799e-05,9.786951010827115e-06,2.6377966737012985e-06,0.09,0.09,0.09,0.09,0.09,0.09,0.09,0.09,0.09,0.09,0.09,0.04,0.04,0.04,0.04,0.04,0.04,0.04,0.04,0.04,0.04,0.04,first
+270,13.8,92,2.0417791057749693e+17,4.58,1.5216989981260935,71.6,Unknown,Enzyme,0,0.3242619559361115,0.1876709355797105,9.74,9.480590435251111,9.221180870502224,8.961771305753334,8.702361741004445,8.442952176255556,8.183542611506665,7.924133046757777,7.664723482008887,7.405313917259998,7.145904352511108,0.44,0.44,0.44,0.44,0.44,0.44,0.44,0.44,0.44,0.44,0.44,0.18,0.4394095647488892,0.6988191294977785,0.9582286942466677,1.2176382589955566,1.477047823744446,1.7364573884933356,1.9958669532422246,2.2552765179911143,2.514686082740003,2.7740956474888927,zero
+275,7.26,96,2.179172747330659e+16,2.36,0.8586616190375187,78.3,Ring,Base,0,0.012676375952854433,0.009822819546794394,4.7,3.0766362352819066,2.4513205666256273,2.099701008645925,1.8644377988975256,1.6946168768626273,1.5645792121235613,1.4594059516967441,1.3732418067042464,1.3011293932892618,1.2391827676887879,1.48,1.48,1.48,1.48,1.48,1.48,1.48,1.48,1.48,1.48,1.48,0.94,1.4811212549060313,1.689559811124791,1.8067663304513584,1.8851874003674916,1.9417943743791242,1.9851402626254795,2.020198016101085,2.048919397765251,2.0729568689035793,2.0936057441037375,third
+278,5.82,90,8.66586959612396e+16,1.28,0.2468600779315258,140.8,Linear,Acid,0,1.0634239213218526,0.7429375107061218,8.06,7.209260862942518,6.358521725885036,5.507782588827554,4.657043451770072,3.8063043147125892,2.9555651776551057,2.104826040597623,1.2540869035401396,0.40334776648265613,-0.44739137057482914,0.11,0.11,0.11,0.11,0.11,0.11,0.11,0.11,0.11,0.11,0.11,0.77,1.6207391370574824,2.4714782741149643,3.3222174111724465,4.172956548229928,5.023695685287411,5.874434822344895,6.725173959402378,7.57591309645986,8.426652233517345,9.27739137057483,zero
+280,11.85,98,3.1191002801313043e+17,1.48,0.3920420877760237,119.3,Ring,Base,1,0.16264661837288713,0.12388477990686986,6.27,6.097548358078533,6.032919538237294,6.007769041626393,5.998098950435095,5.994123747061015,5.992805355789314,5.992060675686255,5.991950956544107,5.991856158346582,5.991786719474007,0.77,0.597548358078533,0.5329195382372943,0.5077690416263934,0.49809895043509467,0.49412374706101553,0.4928053557893149,0.49206067568625567,0.49195095654410786,0.49185615834658364,0.49178671947400815,3.59,3.7624516419214666,3.8270804617627054,3.8522309583736063,3.861901049564905,3.865876252938984,3.867194644210685,3.867939324313744,3.868049043455892,3.868143841653416,3.8682132805259917,second
+273,7.17,92,7.906973052121355e+16,3.22,1.169381359556317,146.5,Unknown,Base,0,0.19701175835650306,0.10784521651398898,2.81,0.6889580748034149,0.41090512756271946,0.29507001231446295,0.2310538753545639,0.19006491153050364,0.16165428236483773,0.14055134155914195,0.1245272103140929,0.11178907012542037,0.10136551746663233,4.27,3.2094790374017075,3.07045256378136,3.0125350061572314,2.980526937677282,2.9600324557652518,2.945827141182419,2.9352756707795713,2.9272636051570466,2.9208945350627102,2.915682758733316,4.1,5.1605209625982935,5.299547436218641,5.357464993842769,5.389473062322719,5.409967544234749,5.424172858817582,5.43472432922043,5.442736394842955,5.449105464937291,5.4543172412666845,third
+272,4.99,100,2.322031840564968e+16,4.29,1.4562867329399256,50.5,Branched,Acid,1,0.0014496488455489139,0.001199542929973435,1.32,1.3149381189332803,1.30997600985985,1.3051112489000276,1.3003414860903644,1.2956644442555514,1.2910779162586488,1.2865797640227674,1.2821679109704323,1.277840341441663,1.2735951006939719,2.78,2.77746905946664,2.774988004929925,2.7725556244500136,2.770170743045182,2.7678322221277756,2.765538958129324,2.7632898820113834,2.761083955485216,2.758920170720831,2.7567975503469855,3.19,3.1925309405333597,3.195011995070075,3.197444375549986,3.1998292569548177,3.202167777872224,3.2044610418706756,3.2067101179886164,3.2089160445147837,3.2110798292791687,3.2132024496530143,third
+274,4.73,97,3.8224149054015456e+17,3.35,1.208960345836975,84.1,Linear,Base,1,0.12298293210967302,0.07774932547001508,3.22,2.558817418998361,2.197119065137311,1.9799651739872084,1.8447752462830893,1.7581950129174106,1.7024264085190794,1.664855207991457,1.640377540985747,1.6242938300249965,1.6131719374675941,3.43,2.7688174189983608,2.407119065137311,2.189965173987208,2.0547752462830893,1.9681950129174106,1.9124264085190794,1.8748552079914569,1.850377540985747,1.8342938300249965,1.823171937467594,2.9,3.5611825810016393,3.922880934862689,4.1400348260127915,4.27522475371691,4.361804987082589,4.417573591480919,4.455144792008542,4.479622459014252,4.495706169975002,4.506828062532405,second
+273,13.73,97,1.47454288612344e+17,1.09,0.08617769624105241,103.1,Unknown,Base,1,0.04059068270509306,0.029766930972461757,5.77,3.8946173563561852,3.338150137561068,3.081293404324337,2.9442727951283896,2.8645527138897693,2.8175925672409114,2.78810247447374,2.7704058896880825,2.7592248321864066,2.752044076410057,2.05,1.1123086781780924,0.8340750687805336,0.7056467021621682,0.6371363975641943,0.5972763569448841,0.5737962836204552,0.5590512372368697,0.5502029448440409,0.5446124160932029,0.541022038205028,3.96,4.897691321821907,5.175924931219466,5.304353297837832,5.372863602435805,5.4127236430551156,5.436203716379544,5.45094876276313,5.459797055155959,5.4653875839067965,5.468977961794971,third
+274,11.8,99,8.732513411714438e+16,0.85,-0.16251892949777494,35.1,Linear,Enzyme,0,0.011677712082439286,0.007442567307299763,9.27,9.183801355248164,9.098404243020699,9.013801210224447,8.92998487273728,8.84694791445062,8.764683089473555,8.683183218702002,8.602441188774957,8.522449952074505,8.443202526725806,1.86,1.86,1.86,1.86,1.86,1.86,1.86,1.86,1.86,1.86,1.86,1.45,1.45,1.45,1.45,1.45,1.45,1.45,1.45,1.45,1.45,1.45,first
+271,4.0,95,5.964645290055747e+16,2.87,1.0543120297715298,112.3,Branched,Acid,1,0.029099606463707555,0.019427971691955793,8.73,8.576091477318512,8.428043519350064,8.285632775617033,8.148643617536449,8.016870815542566,7.8901165717507,7.768189873534629,7.650906493526598,7.5380889896173136,7.42956670495595,1.53,1.53,1.53,1.53,1.53,1.53,1.53,1.53,1.53,1.53,1.53,2.98,3.1339085226814882,3.2819564806499355,3.424367224382966,3.561356382463551,3.6931291844574337,3.8198834282493,3.9418101264653704,4.059093506473403,4.171911010382686,4.28043329504405,first
+272,7.19,94,5.334398272767952e+16,0.62,-0.4780358009429998,145.1,Branched,Base,0,0.047288594073385065,0.03548496777907796,8.1,8.01332270233574,7.949862796921077,7.903292973774485,7.868967164709471,7.843478894483554,7.824656389475806,7.8107027629439685,7.800278063872284,7.792550240492725,7.786812263691018,0.33,0.24332270233573922,0.1798627969210767,0.13329297377448385,0.09896716470947137,0.07347889448355388,0.054656389475806276,0.04070276294396877,0.03027806387228381,0.02255024049272486,0.016812263691017956,0.03,0.11667729766426083,0.18013720307892334,0.2267070262255162,0.2610328352905287,0.2865211055164462,0.3053436105241938,0.3192972370560313,0.3297219361277162,0.3374497595072752,0.3431877363089821,second
+277,5.2,90,6.723197495717829e+16,2.72,1.000631880307906,196.7,Ring,Acid,0,0.7168350325717128,0.3924715218090295,9.22,5.1939703968600455,2.9281553517339978,1.6511977533050992,0.9305917411199689,0.5254498948227149,0.2958590373538195,0.16702215793711161,0.09412985247614256,0.05308843769050402,0.029949418111510716,2.62,2.62,2.62,2.62,2.62,2.62,2.62,2.62,2.62,2.62,2.62,1.38,1.38,1.38,1.38,1.38,1.38,1.38,1.38,1.38,1.38,1.38,first
+273,6.19,92,1.853061965078062e+17,2.98,1.091923300517313,166.4,Branched,Base,1,0.4617127106379099,0.3707514543541513,7.67,1.7081816236830933,1.7069276832501878,1.7070891652047218,1.7068482159230651,1.7071365653628194,1.7068268593839289,1.7071412591115143,1.7068640312727248,1.7071160363783964,1.7087614936328546,0.75,0.75,0.75,0.75,0.75,0.75,0.75,0.75,0.75,0.75,0.75,4.22,6.207272792105635,6.207690772249937,6.2076369449317585,6.207717261358978,6.2076211448790595,6.207724380205358,6.2076195802961625,6.207711989575759,6.2076279878738685,6.207079502122382,third
+274,10.34,91,1.0405158955765038e+17,3.49,1.2499017362143359,137.9,Branched,None,1,0.466252616156282,0.30301175978057626,6.19,5.680130340702564,5.680235167293244,5.680278272967424,5.680337971053871,5.680381720939755,5.68037286394184,5.680297251086547,5.680278438017055,5.680236892553002,5.680229097477777,0.34,0.08506517035128154,0.0851175836466212,0.08513913648371178,0.0851689855269344,0.08519086046987628,0.08518643197091867,0.08514862554327254,0.0851392190085263,0.08511844627649973,0.08511454873888663,3.97,4.224934829648721,4.224882416353381,4.22486086351629,4.224831014473068,4.224809139530127,4.2248135680290835,4.22485137445673,4.2248607809914756,4.2248815537235025,4.224885451261115,third
+274,6.81,98,7.114647376028879e+16,2.67,0.9820784724121582,128.4,Linear,None,1,0.014757613756740284,0.010773881625388674,4.78,4.327552606080398,3.9621944413394994,3.6609524286609947,3.409809281704717,3.199795174231043,3.0225718104011245,2.8704099661109295,2.7365661348191233,2.619292286987152,2.5165655181461175,3.87,3.87,3.87,3.87,3.87,3.87,3.87,3.87,3.87,3.87,3.87,1.96,2.186223696959801,2.3689027793302504,2.5195237856695027,2.6450953591476414,2.7501024128844787,2.8387140947994376,2.9147950169445354,2.9817169325904387,3.040353856506424,3.091717240926941,second
+278,1.33,90,3.714495903025702e+17,0.57,-0.5621189181535413,172.0,Ring,Acid,0,4.558208215706739,2.9651179580143108,3.38,-0.2665665725653924,-3.9131331451307845,-7.559699717696176,-11.206266290261567,-14.852832862826958,-18.49939943539236,-22.145966007957746,-25.792532580523133,-29.43909915308853,-33.08566572565392,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.86,0.18,3.8265665725653926,7.4731331451307845,11.119699717696177,14.766266290261568,18.41283286282696,22.059399435392358,25.70596600795775,29.352532580523132,32.99909915308853,36.64566572565392,zero
+279,11.91,99,1.8583379867381658e+17,1.25,0.22314355131420976,53.2,Linear,Acid,0,0.05414807457427551,0.04510745486247981,3.0,2.61087445969534,2.306360037011912,2.0608353495466356,1.8601412017492418,1.6937715072919266,1.5526738189578568,1.4301200899831827,1.3236633175211283,1.230466319487364,1.1481606408092975,3.41,3.02087445969534,2.716360037011912,2.4708353495466358,2.270141201749242,2.1037715072919267,1.962673818957857,1.8401200899831829,1.7336633175211285,1.640466319487364,1.5581606408092976,1.86,2.24912554030466,2.553639962988088,2.7991646504533643,2.999858798250758,3.1662284927080733,3.307326181042143,3.429879910016817,3.5363366824788716,3.629533680512636,3.7118393591907024,second
+272,13.68,97,3.7349630475919424e+17,2.49,0.9122827104766164,164.8,Ring,Base,0,0.0878656474392811,0.046534000324813064,7.24,5.472531054598507,4.53059370357705,3.949682810299505,3.558410874100634,3.2830173775954448,3.0782752456521876,2.922904275176986,2.8028919773543297,2.7075069004209653,2.6309861461043025,4.98,3.2125310545985073,2.27059370357705,1.6896828102995052,1.2984108741006342,1.023017377595445,0.818275245652188,0.6629042751769864,0.5428919773543301,0.4475069004209655,0.3709861461043029,2.72,4.487468945401494,5.42940629642295,6.010317189700495,6.401589125899366,6.676982622404555,6.881724754347812,7.037095724823014,7.157108022645669,7.252493099579035,7.329013853895697,second
+273,6.41,100,2.7103422262380672e+17,2.82,1.0367368849500223,100.5,Unknown,Enzyme,1,0.019895979026588018,0.010586230382758634,6.38,2.9543991677219177,2.2787862472608404,1.9721259021607225,1.801408486648085,1.69359351443198,1.624315070303546,1.5764185537922502,1.5428959168097172,1.5199987980021832,1.5035788800035894,2.05,2.05,2.05,2.05,2.05,2.05,2.05,2.05,2.05,2.05,2.05,4.2,5.341866944092694,5.567071250913053,5.6692913659464255,5.726197171117304,5.76213549518934,5.785228309898818,5.801193815402583,5.812368027730095,5.820000400665939,5.825473706665471,third
+277,10.76,93,3.4246247837952044e+16,4.47,1.4973884086254774,195.4,Unknown,Base,0,0.09924709258808602,0.07723700645775879,8.26,7.367984852765765,6.917742116201729,6.669458705849049,6.5269622409414145,6.44388863589304,6.39444066087666,6.364895903602825,6.347122663506376,6.336405884786919,6.329927533110401,1.94,1.0479848527657651,0.5977421162017291,0.34945870584904926,0.20696224094141497,0.12388863589303974,0.0744406608766602,0.04489590360282575,0.02712266350637644,0.016405884786920334,0.009927533110401635,4.61,5.502015147234236,5.952257883798271,6.200541294150951,6.343037759058586,6.42611136410696,6.47555933912334,6.505104096397175,6.522877336493624,6.533594115213081,6.540072466889599,second
+279,13.92,99,4.206110389629399e+17,1.36,0.3074846997479607,62.4,Linear,Acid,1,0.12255724236959131,0.06373592860593817,2.72,1.9924420384676895,1.6827746653758413,1.5302303369512276,1.450874079254113,1.4080577640902847,1.3846159820357458,1.3719527670163227,1.3643183653743307,1.3606074662818524,1.35847602576949,2.77,2.77,2.77,2.77,2.77,2.77,2.77,2.77,2.77,2.77,2.77,2.85,3.2137789807661554,3.3686126673120795,3.4448848315243867,3.4845629603729438,3.505971117954858,3.5176920089821273,3.524023616491839,3.527840817312835,3.5296962668590743,3.530761987115256,second
+276,3.93,92,3.3494689364890586e+17,4.17,1.4279160358107101,47.9,Unknown,Enzyme,1,1.2965833223835466,0.7314214755521199,2.78,1.5205173136916499,1.5195150274721627,1.52160582147073,1.519682367582348,1.5209837331500713,1.5201260635029687,1.5203669404397746,1.5208501290899867,1.519902755715219,1.521611458998564,1.45,0.820258656845825,0.8197575137360814,0.820802910735365,0.8198411837911741,0.8204918665750357,0.8200630317514844,0.8201834702198874,0.8204250645449934,0.8199513778576095,0.8208057294992821,2.73,3.359741343154175,3.360242486263919,3.3591970892646352,3.360158816208826,3.3595081334249643,3.359936968248516,3.3598165297801126,3.359574935455006,3.36004862214239,3.3591942705007174,third
+271,6.92,90,1.3719226345770518e+17,3.84,1.3454723665996355,151.2,Linear,Base,0,0.6157517689847459,0.375822887933493,6.03,3.684276239222196,2.2511595577437116,1.375363823055382,0.8410089039837674,0.5137199724515744,0.3142961679815324,0.1919775062560649,0.11747168627520901,0.07178091211929134,0.04389723823204448,0.28,0.28,0.28,0.28,0.28,0.28,0.28,0.28,0.28,0.28,0.28,0.13,2.475723760777804,3.9088404422562886,4.784636176944619,5.318991096016234,5.646280027548427,5.845703832018468,5.968022493743936,6.042528313724792,6.088219087880709,6.116102761767957,first
+272,6.47,95,7.482146309699824e+16,4.12,1.415853163361435,126.4,Linear,Enzyme,1,0.04262369618304178,0.024457029122370563,4.36,4.322448682075167,4.291460890467165,4.265804858628447,4.2443699664990575,4.226587443280712,4.211971813154173,4.200021084881015,4.190216751803629,4.182023791845218,4.174967281564437,0.77,0.7324486820751667,0.7014608904671644,0.6758048586284462,0.6543699664990578,0.6365874432807122,0.621971813154172,0.6100210848810143,0.6002167518036282,0.5920237918452175,0.5849672815644372,3.74,3.777551317924834,3.808539109532836,3.8341951413715543,3.8556300335009426,3.8734125567192885,3.8880281868458284,3.8999789151189863,3.9097832481963724,3.917976208154783,3.925032718435563,second
+277,7.43,100,4.7205431600703085e+17,4.84,1.5769147207285403,53.8,Unknown,None,1,0.06546966857582895,0.05694285671694148,7.44,1.9236849781500045,1.5978816596596377,1.5094953591139881,1.4812359971943436,1.4710823287319887,1.4677450058427073,1.4665071353947292,1.4662851649335178,1.465950951301911,1.4659953288577487,0.36,0.36,0.36,0.36,0.36,0.36,0.36,0.36,0.36,0.36,0.36,1.63,3.468771673949999,3.5773727801134547,3.606834880295338,3.6162546676018863,3.619639223756004,3.620751664719098,3.6211642882017574,3.6212382783554946,3.621349682899363,3.621334890380751,third
+278,3.86,91,3.5134115320439e+17,1.14,0.131028262406404,126.9,Unknown,Enzyme,1,2.7971910090092487,2.1170289026632125,8.29,2.409958926784409,2.4106352873836356,2.4110181579264705,2.4101243887072754,2.409666503691933,2.4106422769669202,2.4104864463167077,2.4096625599336,2.4095532953716097,2.41233613222275,4.63,4.63,4.63,4.63,4.63,4.63,4.63,4.63,4.63,4.63,4.63,4.74,7.6800205366077945,7.679682356308182,7.679490921036764,7.679937805646362,7.680166748154034,7.67967886151654,7.679756776841647,7.680168720033202,7.680223352314195,7.678831933888626,second
+272,2.02,93,1.679887643856823e+17,3.39,1.220829921392359,63.5,Ring,Base,1,0.23173799976697687,0.15592223028103083,8.97,8.364968499568171,8.261369092710948,8.242442402107816,8.23897463364609,8.23834117306223,8.238277639096028,8.238187574348762,8.238244498233865,8.238140102029503,8.238333801344261,0.95,0.3449684995681707,0.2413690927109487,0.22244240210781566,0.21897463364608868,0.21834117306222872,0.21827763909602713,0.21818757434876113,0.21824449823386294,0.21814010202950118,0.2183338013442591,1.94,2.545031500431829,2.6486309072890513,2.6675575978921846,2.671025366353912,2.671658826937772,2.6717223609039733,2.671812425651239,2.6717555017661376,2.6718598979704993,2.6716661986557413,second
+280,13.74,98,2.53275277075519e+17,3.19,1.1600209167967532,62.9,Linear,Acid,0,0.13207131427032873,0.07874708772141079,9.45,1.2481237617197039,0.886391920271698,0.7248626956058908,0.6277126187327603,0.5621016915298782,0.5130538257519802,0.4749443871965831,0.4445705926094099,0.4193005232140617,0.39772182412383483,2.19,2.19,2.19,2.19,2.19,2.19,2.19,2.19,2.19,2.19,2.19,2.71,5.443958746093431,5.5645360265761,5.618379101464702,5.650762460422412,5.67263276949004,5.688982058082672,5.701685204267805,5.711809802463529,5.720233158928646,5.727426058625388,third
+272,13.19,95,2.6556784960169344e+16,1.51,0.412109650826833,68.0,Branched,Base,1,0.01512865810005851,0.013410110764376508,2.97,2.4610308327049912,2.140596171821919,1.9169364642266151,1.7553962055293457,1.6321483905310172,1.5357474667808315,1.460008162895848,1.3993878343978499,1.3494004882792174,1.308144290042111,3.3,3.045515416352495,2.885298085910959,2.773468232113307,2.6926981027646724,2.631074195265508,2.5828737333904153,2.5450040814479236,2.514693917198924,2.4897002441396086,2.4690721450210553,2.19,2.4444845836475046,2.604701914089041,2.7165317678866927,2.7973018972353274,2.8589258047344916,2.9071262666095845,2.944995918552076,2.9753060828010756,3.000299755860391,3.0209278549789444,third
+275,8.32,97,1.7486402226434563e+17,3.14,1.144222799920162,83.8,Branched,Enzyme,0,0.06568298935642586,0.04569196458104846,1.35,1.2301981668229707,1.12758189333575,1.0385100664494902,0.9604744317037945,0.8919810694290591,0.8316315366813567,0.7781095725596285,0.7301810982056831,0.6866942168041974,0.6466815413841467,1.83,1.7101981668229707,1.60758189333575,1.5185100664494902,1.4404744317037945,1.371981069429059,1.3116315366813567,1.2581095725596285,1.210181098205683,1.1666942168041974,1.1266815413841467,1.64,1.7598018331770293,1.86241810666425,1.9514899335505098,2.0295255682962052,2.098018930570941,2.1583684633186433,2.2118904274403715,2.2598189017943167,2.303305783195803,2.3433184586158533,second
+274,2.06,90,2.2678751448523507e+17,4.27,1.451613827240533,33.2,Linear,None,1,1.5762894228430298,1.3251059606202482,3.69,1.2094574969964338,1.2076608114004213,1.2082314344208567,1.2093768457643572,1.2075300991564686,1.2086700736769642,1.2086255128575982,1.2075171972634784,1.2094422090158055,1.208408788687926,4.38,3.139728748498216,3.1388304057002103,3.1391157172104283,3.139688422882178,3.1387650495782338,3.1393350368384816,3.1393127564287977,3.138758598631738,3.1397211045079017,3.139204394343962,4.21,5.450271251501782,5.451169594299789,5.450884282789571,5.450311577117819,5.451234950421764,5.4506649631615165,5.4506872435712,5.451241401368259,5.450278895492096,5.450795605656037,third
+274,1.82,98,3.633906474442978e+17,1.66,0.5068176023684519,140.0,Linear,Base,0,0.07537659330613267,0.06315277330576907,9.49,7.782017760417375,7.750852287598954,7.750022841755868,7.75000039231107,7.750000107747125,7.749998905479841,7.750000204142717,7.750000865546638,7.750001439883338,7.750001567950467,0.87,0.016008880208687258,0.0004261437994762375,1.1420877933254635e-05,1.9615553433705662e-07,5.387356194855471e-08,-5.472600799452221e-07,1.0207135810369601e-07,4.327733188534127e-07,7.199416689826438e-07,7.839752337620692e-07,0.05,0.9039911197913129,0.919573856200524,0.919988579122067,0.9199998038444659,0.9199999461264382,0.9200005472600801,0.919999897928642,0.9199995672266813,0.9199992800583311,0.9199992160247663,third
+272,1.8,92,2.89468722833562e+16,1.56,0.44468582126144574,176.2,Branched,None,0,0.06213906538479904,0.04220371912045084,8.44,3.9658781230973132,3.2788868615587363,2.981316123303457,2.8180348905729025,2.717609083090305,2.652310620786461,2.6080252233819086,2.5774853894191616,2.5558481515280107,2.5404571551529185,2.97,0.7329390615486568,0.3894434307793684,0.24065806165172865,0.15901744528645148,0.10880454154515261,0.07615531039323072,0.05401261169095438,0.038742694709580805,0.027924075764005525,0.020228577576459253,4.51,6.747060938451344,7.090556569220633,7.239341938348272,7.32098255471355,7.3711954584548485,7.40384468960677,7.425987388309046,7.44125730529042,7.452075924235995,7.459771422423541,third
+273,7.17,92,4.445473324762844e+16,1.07,0.06765864847381486,160.6,Linear,Enzyme,1,0.11076432291665483,0.07063656221533787,6.27,5.863297938365751,5.511537026171519,5.206731142356309,4.942755488718235,4.714820952450491,4.518369367831848,4.349073516226646,4.2028371260847965,4.0758042893194375,3.9655003263181596,3.88,3.88,3.88,3.88,3.88,3.88,3.88,3.88,3.88,3.88,3.88,2.1,2.5067020616342486,2.8584629738284804,3.1632688576436907,3.427244511281765,3.655179047549508,3.8516306321681513,4.020926483773353,4.167162873915204,4.294195710680563,4.4044996736818405,first
+274,11.37,95,3.662721175445422e+17,2.52,0.9242589015233319,104.2,Branched,None,0,0.28353024395068466,0.25153516389122366,9.84,8.90281963804611,8.787968723152476,8.772458588881992,8.770337098719041,8.77004647508798,8.770006355870077,8.770000846813339,8.770000239492099,8.770000073954648,8.770000091029083,1.07,0.13281963804611002,0.017968723152477502,0.002458588881993666,0.00033709871904293097,4.647508798133328e-05,6.355870075258065e-06,8.468133384077373e-07,2.3949209831507584e-07,7.395464702137813e-08,9.102908177877193e-08,1.21,2.14718036195389,2.2620312768475226,2.2775414111180066,2.2796629012809575,2.279953524912019,2.279993644129925,2.2799991531866617,2.2799997605079017,2.279999926045353,2.279999908970918,second
+271,1.64,100,3.547121830041208e+17,2.54,0.9321640810304452,65.2,Linear,Acid,0,0.018810703847708356,0.01028553805672917,6.61,4.435938305187106,3.578795003724156,3.090562412944146,2.7633485762435237,2.526512593095388,2.342455369063197,2.19605274184587,2.0761303035096557,1.9743911991583032,1.8869529060232115,3.12,2.032969152593553,1.604397501862078,1.3602812064720728,1.1966742881217618,1.0782562965476938,0.9862276845315985,0.9130263709229349,0.8530651517548278,0.8021955995791515,0.7584764530116057,0.36,1.447030847406447,1.875602498137922,2.119718793527927,2.283325711878238,2.4017437034523064,2.4937723154684015,2.566973629077065,2.626934848245172,2.677804400420848,2.721523546988394,third
+271,2.81,93,4.515156979762464e+17,2.8,1.0296194171811581,116.8,Branched,Acid,0,0.5351613852606736,0.4280076955769049,7.75,5.050155858386252,3.2919840584367304,2.1445981580630837,1.3986047992323258,0.9113649946401233,0.5941357069321631,0.3875832994384555,0.2524629244484321,0.16483771649724155,0.1074300558257738,4.68,4.68,4.68,4.68,4.68,4.68,4.68,4.68,4.68,4.68,4.68,0.09,2.789844141613748,4.5480159415632695,5.695401841936915,6.441395200767674,6.928635005359876,7.245864293067836,7.452416700561544,7.587537075551567,7.6751622835027575,7.732569944174226,first
+273,1.31,97,2.681336640338988e+17,4.84,1.5769147207285403,74.7,Linear,None,0,0.07381086424666315,0.04099625724371271,8.24,6.89510082584558,6.130255189531367,5.647776657809944,5.3253171258645216,5.101850684163307,4.943012189284942,4.826847012153211,4.741765302758407,4.678437882469022,4.63076120615474,3.76,2.4151008258455793,1.6502551895313675,1.167776657809944,0.8453171258645218,0.6218506841633069,0.4630121892849416,0.34684701215321,0.26176530275840637,0.19843788246902183,0.15076120615474004,4.79,6.1348991741544205,6.899744810468633,7.382223342190056,7.704682874135478,7.928149315836692,8.086987810715058,8.20315298784679,8.288234697241593,8.351562117530978,8.39923879384526,second
+270,9.71,96,3.4000934578414394e+17,2.16,0.7701082216960737,38.6,Unknown,Enzyme,1,0.09088738951038156,0.04659295037026343,6.13,4.890394567396369,4.225066437737138,3.8245908978898684,3.5685233918356003,3.400408208843352,3.2859034672442755,3.2066178031823784,3.152022247068903,3.113181734337946,3.0856047207696866,4.15,2.9103945673963687,2.2450664377371385,1.8445908978898684,1.5885233918356005,1.420408208843352,1.3059034672442755,1.2266178031823782,1.1720222470689032,1.1331817343379458,1.1056047207696866,2.99,4.229605432603632,4.894933562262863,5.295409102110133,5.5514766081644,5.719591791156649,5.834096532755725,5.913382196817622,5.9679777529310964,6.006818265662055,6.0343952792303135,second
+272,1.56,92,1.5636140646065114e+17,2.65,0.9745596399981308,31.4,Linear,None,1,0.33565462840363963,0.19159811497824264,9.27,2.2123891508129536,1.9261758978260173,1.8954170465997116,1.8919990938226694,1.8919460419958454,1.891691249074864,1.8907476119748805,1.8934013994103926,1.890513837305876,1.8928935167763599,0.82,0.82,0.82,0.82,0.82,0.82,0.82,0.82,0.82,0.82,0.82,2.58,6.108805424593523,6.251912051086992,6.267291476700145,6.269000453088666,6.269026979002078,6.269154375462569,6.26962619401256,6.268299300294804,6.2697430813470625,6.268553241611821,second
+273,7.88,100,4.901871473972369e+16,0.57,-0.5621189181535413,178.3,Unknown,None,0,0.0035983475109913243,0.002925678705839572,8.65,8.625135241211588,8.600341957131537,8.575619942304042,8.550968991862389,8.526388901528513,8.501879467611422,8.47744048700873,8.4530717572002,8.42877307624614,8.404544242787411,1.45,1.45,1.45,1.45,1.45,1.45,1.45,1.45,1.45,1.45,1.45,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,first
+280,6.96,99,6.779341215833737e+16,3.63,1.2892326482767593,171.8,Linear,Acid,0,0.023006161823966174,0.01921294666459218,5.62,5.507193095849939,5.4449119506049275,5.4094402032481685,5.388912781463294,5.376996357424431,5.36998121638856,5.365885759456255,5.363462100348227,5.362043757914367,5.3612041635720065,0.13,0.07359654792496914,0.04245597530246334,0.024720101624083845,0.014456390731646743,0.0084981787122149,0.004990608194279675,0.0029428797281271977,0.0017310501741134837,0.00102187895718317,0.0006020817860030262,4.07,4.1264034520750315,4.157544024697537,4.1752798983759165,4.185543609268353,4.191501821287785,4.195009391805721,4.197057120271873,4.198268949825887,4.198978121042818,4.1993979182139975,third
+270,10.86,94,2.932400732608063e+17,0.6,-0.5108256237659907,102.7,Unknown,None,1,0.19106156391006585,0.14621970744204946,4.66,1.4345165267976032,1.3777578693056969,1.3736846381375458,1.3733628877350355,1.3742647533314554,1.3730398900335787,1.371858704474384,1.374552418574622,1.3759788941772992,1.37399715674537,4.0,4.0,4.0,4.0,4.0,4.0,4.0,4.0,4.0,4.0,4.0,2.29,3.3651611577341325,3.384080710231435,3.3854384539541518,3.385545704088322,3.3852450822228484,3.385653369988807,3.3860470985085387,3.3851491938084592,3.3846737019409003,3.3853342810848766,third
+274,6.47,93,1.0562396935671034e+17,1.7,0.5306282510621704,168.6,Linear,None,1,0.19671910129569153,0.12378710800734301,6.72,6.22211949514806,5.836919258035996,5.537757220354897,5.305798119427322,5.128145881915532,4.992245667265521,4.885995897202099,4.802853953275485,4.738655427579515,4.6890236794769,2.36,2.36,2.36,2.36,2.36,2.36,2.36,2.36,2.36,2.36,2.36,4.98,5.477880504851941,5.863080741964003,6.162242779645103,6.394201880572679,6.5718541180844685,6.7077543327344795,6.8140041027979015,6.897146046724515,6.961344572420485,7.0109763205231,first
+271,3.6,94,3.3201720007775046e+17,1.96,0.6729444732424258,164.8,Ring,Base,0,0.2524746549340202,0.13877123173221015,7.32,0.9045012761939002,0.6413667881511764,0.5245255477623781,0.4542441872120955,0.4066744353049318,0.37106475846848264,0.3436933373456223,0.32170486538036347,0.30325502314382097,0.2876496564207924,3.04,3.04,3.04,3.04,3.04,3.04,3.04,3.04,3.04,3.04,3.04,3.49,5.628499574602033,5.716211070616274,5.755158150745874,5.778585270929302,5.794441854898356,5.806311747177172,5.8154355542181255,5.822765044873212,5.828914992285393,5.834116781193068,third
+270,6.95,97,1.9315534111606698e+17,2.13,0.7561219797213337,186.9,Branched,Acid,0,0.0330712705272768,0.028391255717426466,3.03,2.9508864081204327,2.8738384815886118,2.798802284978427,2.725725215101305,2.6545561560406825,2.5852453941467153,2.5177444284986006,2.4520059707558968,2.3879839451585267,2.3256334885267744,3.76,3.76,3.76,3.76,3.76,3.76,3.76,3.76,3.76,3.76,3.76,3.91,3.91,3.91,3.91,3.91,3.91,3.91,3.91,3.91,3.91,3.91,first
+270,10.66,97,1.2510498557486288e+17,3.17,1.1537315878891892,110.8,Ring,Acid,1,0.021419965911122288,0.01290872984557675,1.64,1.6208898404071368,1.6039655570535187,1.5889602371583214,1.575639142816755,1.5637963892618236,1.553269771906358,1.5439125035308379,1.5355895950300178,1.5281778554129284,1.5215658918028754,0.97,0.97,0.97,0.97,0.97,0.97,0.97,0.97,0.97,0.97,0.97,3.48,3.4895550797964314,3.4980172214732406,3.505519881420839,3.5121804285916225,3.518101805369088,3.523365114046821,3.5280437482345812,3.532205202484991,3.5359110722935356,3.5392170540985624,second
+272,11.16,90,9.419578324525843e+16,2.73,1.0043016091968684,89.9,Branched,None,0,0.4896509942585822,0.36461795930715735,4.77,1.0098235186519497,0.5648913413200511,0.391951962426453,0.3000681220321529,0.24332900461340518,0.20434830623917857,0.1762585843806569,0.1550580785420616,0.1382614477209285,0.12475056787290496,2.76,2.76,2.76,2.76,2.76,2.76,2.76,2.76,2.76,2.76,2.76,3.89,5.770088240674025,5.992554329339974,6.0790240187867735,6.124965938983924,6.1533354976932975,6.172825846880411,6.186870707809672,6.19747096072897,6.205869276139537,6.212624716063548,second
+279,1.56,95,3.8519859119448134e+17,1.85,0.6151856390902335,85.5,Branched,Enzyme,1,0.6295841401017889,0.38223500234998325,4.38,0.9799556862689799,0.9798490339204221,0.9804425697675934,0.9801741746806208,0.9788290892654746,0.9784234578190854,0.9792259744107566,0.9801267971963837,0.9805459188231942,0.9797089743655534,4.98,3.27997784313449,3.279924516960211,3.2802212848837966,3.2800870873403105,3.2794145446327376,3.2792117289095435,3.2796129872053794,3.280063398598193,3.2802729594115987,3.2798544871827784,3.48,5.18002215686551,5.180075483039789,5.179778715116203,5.179912912659689,5.180585455367262,5.1807882710904565,5.180387012794621,5.179936601401808,5.179727040588403,5.180145512817223,third
+271,4.62,95,3.763239627596685e+17,1.45,0.371563556432483,181.4,Linear,Enzyme,1,0.183596487077389,0.11936802638368162,2.88,1.424312912390466,1.1414388997972822,1.0370124227748863,0.9921291972233666,0.9721344193937794,0.9623102905023354,0.9581320596042942,0.9557177215985748,0.9548177700883624,0.954427725109263,1.88,1.152156456195233,1.0107194498986412,0.9585062113874431,0.9360645986116832,0.9260672096968896,0.9211551452511676,0.919066029802147,0.9178588607992874,0.9174088850441812,0.9172138625546314,0.32,1.0478435438047669,1.1892805501013588,1.241493788612557,1.2639354013883166,1.2739327903031104,1.2788448547488322,1.2809339701978528,1.2821411392007125,1.2825911149558187,1.2827861374453684,third
+278,10.3,97,3.956858971678415e+17,4.65,1.536867219599265,189.1,Unknown,Base,0,0.2349289970106561,0.15511744156428148,9.07,7.515941519780277,6.22819613690069,5.158848630786112,4.271841501921516,3.5394987411899783,2.9357879436858147,2.4363101501542106,2.019488932296392,1.6734662706936865,1.3867629373846015,4.29,4.29,4.29,4.29,4.29,4.29,4.29,4.29,4.29,4.29,4.29,4.97,4.97,4.97,4.97,4.97,4.97,4.97,4.97,4.97,4.97,4.97,first
+274,1.39,95,2.742141936829252e+17,2.57,0.9439058989071284,20.5,Linear,Enzyme,1,0.21226845699005512,0.13204604119455784,2.7,2.012086211394475,1.8587600288280621,1.820371594001529,1.8106503643951146,1.807505005118772,1.8069298923095998,1.8065385658837654,1.8069843688503744,1.806580087361179,1.80678909783113,4.36,4.36,4.36,4.36,4.36,4.36,4.36,4.36,4.36,4.36,4.36,4.8,5.143956894302763,5.220619985585969,5.239814202999236,5.244674817802443,5.246247497440614,5.2465350538452,5.246730717058117,5.246507815574813,5.24670995631941,5.246605451084435,second
+270,8.86,95,3.088632754232054e+17,3.34,1.205970806988609,109.6,Linear,None,1,0.12889844102032508,0.07548768562730312,1.5,1.0425708031054217,0.797973898489206,0.6583742374354855,0.5764113932799843,0.5278717412184917,0.4984686349511287,0.480667131595956,0.4700015927917085,0.4633385320436162,0.4593126161899274,4.78,4.322570803105422,4.077973898489207,3.938374237435486,3.8564113932799846,3.807871741218492,3.778468634951129,3.760667131595956,3.750001592791709,3.7433385320436168,3.739312616189928,1.84,2.297429196894578,2.5420261015107943,2.6816257625645146,2.763588606720016,2.8121282587815086,2.8415313650488714,2.8593328684040444,2.8699984072082914,2.8766614679563838,2.8806873838100726,second
+270,1.86,96,7.061808637197073e+16,3.84,1.3454723665996355,100.5,Branched,Base,0,0.01887681501155485,0.015623741068140892,3.87,3.464973341895355,3.1367445433351677,2.8644196842261933,2.635113952234633,2.4414322995221083,2.2764136071421195,2.1334466837156754,2.00627026543129,1.8916529613190065,1.7894177806182918,2.95,2.95,2.95,2.95,2.95,2.95,2.95,2.95,2.95,2.95,2.95,3.25,3.4525133290523224,3.6166277283324164,3.752790157886903,3.8674430238826836,3.964283850238946,4.04679319642894,4.118276658142163,4.181864867284355,4.239173519340497,4.2902911096908545,second
+276,3.6,92,1.7131344612778688e+17,3.02,1.1052568313867783,142.8,Ring,Acid,0,0.6631563431729298,0.5748819284049904,1.17,0.3304875295857157,0.11751394923359779,0.04468379568878446,0.017409720468206897,0.006846745943441143,0.0027024527567195457,0.001068135614533467,0.00042228381146925753,0.00016683010782218786,6.617764729533556e-05,2.92,2.0804875295857155,1.867513949233598,1.7946837956887844,1.7674097204682069,1.7568467459434414,1.7527024527567197,1.7510681356145334,1.7504222838114694,1.7501668301078221,1.7500661776472954,1.9,2.739512470414285,2.9524860507664026,3.025316204311216,3.0525902795317936,3.063153254056559,3.067297547243281,3.068931864385467,3.069577716188531,3.0698331698921777,3.069933822352705,second
+270,4.11,99,3.8530320931385875e+17,3.74,1.3190856114264407,38.9,Ring,Enzyme,0,0.027065094682141664,0.02192018336092788,6.29,4.356024643988772,3.6304397354948597,3.2306515917025607,2.9683818192731746,2.783431610357046,2.6431450648821304,2.5335074583193125,2.4458651914326457,2.3734626513868693,2.3125946907263635,2.23,1.263012321994386,0.9002198677474298,0.7003257958512803,0.5691909096365871,0.47671580517852274,0.40657253244106495,0.35175372915965597,0.30793259571632253,0.2717313256934345,0.24129734536318165,3.34,4.306987678005614,4.66978013225257,4.86967420414872,5.000809090363414,5.093284194821478,5.163427467558935,5.2182462708403445,5.262067404283678,5.2982686743065655,5.328702654636818,third
+277,5.45,91,1.6823998852751786e+17,2.89,1.0612565021243408,170.3,Unknown,Base,0,1.1619650475135452,0.8940468396000992,1.28,0.505283797037472,0.19969592586418614,0.07888344684891083,0.031162783790927098,0.012311311752322555,0.004863982879115339,0.001921769626013863,0.0007593734087160803,0.0003001930791197252,0.00011894958329926187,0.56,0.56,0.56,0.56,0.56,0.56,0.56,0.56,0.56,0.56,0.56,1.93,1.93,1.93,1.93,1.93,1.93,1.93,1.93,1.93,1.93,1.93,first
+277,6.34,97,2.3909951255493802e+17,4.95,1.599387576580599,196.3,Linear,Enzyme,0,0.12200156881913674,0.09451781988879016,6.49,6.392398744944691,6.2947974898893815,6.197196234834072,6.099594979778763,6.001993724723453,5.904392469668144,5.806791214612835,5.709189959557525,5.611588704502216,5.5139874494469066,4.78,4.78,4.78,4.78,4.78,4.78,4.78,4.78,4.78,4.78,4.78,3.32,3.417601255055309,3.5152025101106186,3.612803765165928,3.7104050202212373,3.8080062752765467,3.9056075303318565,4.003208785387166,4.100810040442475,4.198411295497784,4.296012550553093,zero
+277,3.74,90,2.3522606347703315e+17,2.87,1.0543120297715298,148.0,Ring,None,1,2.5080072834640363,1.311144463082447,9.53,1.191192963178497,1.1913704631498225,1.1910538798083778,1.1914244019066433,1.1910971682004503,1.1913974998174248,1.1912299262461192,1.1913490597112537,1.1913528497288193,1.1922121690642895,3.92,3.92,3.92,3.92,3.92,3.92,3.92,3.92,3.92,3.92,3.92,0.46,3.2396023456071674,3.23954317895006,3.2396487067305415,3.239525199364453,3.2396342772665183,3.239534166727526,3.2395900245846283,3.2395503134295836,3.239549050090395,3.2392626103119047,third
+280,6.6,90,3.3906486133338304e+16,1.97,0.6780335427498971,188.6,Ring,None,0,0.5495037652756942,0.3415524325512767,8.32,0.6151545123432833,0.43589853075491886,0.35591151136631166,0.308241381323817,0.27578356028651235,0.25185712460516035,0.23304448205362405,0.21802694629957198,0.2056826243395365,0.19513262082717853,2.42,2.42,2.42,2.42,2.42,2.42,2.42,2.42,2.42,2.42,2.42,3.92,6.488281829218906,6.548033823081694,6.5746961628778955,6.590586206225394,6.601405479904495,6.609380958464945,6.615651839315458,6.620657684566808,6.624772458553487,6.628289126390939,third
+273,6.04,91,4.7552288069788134e+17,4.85,1.5789787049493917,177.6,Ring,Base,1,1.840754603835592,1.6341625416168581,5.41,1.3645762021066556,1.3636828691946252,1.3635986013406076,1.3634340694255256,1.3633587391802757,1.3635560383485408,1.3639198767436733,1.3642937483864022,1.364508230032631,1.3650755909966215,3.15,1.127288101053327,1.126841434597312,1.126799300670303,1.1267170347127622,1.1266793695901374,1.1267780191742702,1.1269599383718365,1.127146874193201,1.1272541150163151,1.1275377954983106,0.34,2.3627118989466713,2.3631585654026863,2.363200699329695,2.3632829652872362,2.3633206304098606,2.363221980825728,2.3630400616281624,2.3628531258067973,2.362745884983683,2.3624622045016874,third
+272,2.87,97,2.0263666388298106e+17,4.24,1.4445632692438664,130.6,Ring,Base,0,0.04767062335059374,0.03468783962103721,5.31,5.111307967911258,4.920050704820348,4.735949952421123,4.558736775657187,4.388154455357991,4.223955960936676,4.065902599413391,3.9137640154152895,3.7673181911765337,3.6263514465382904,4.02,4.02,4.02,4.02,4.02,4.02,4.02,4.02,4.02,4.02,4.02,2.79,2.79,2.79,2.79,2.79,2.79,2.79,2.79,2.79,2.79,2.79,first
+276,11.63,94,2.7053828048079892e+16,2.08,0.7323678937132266,82.1,Ring,None,1,0.04380539967724455,0.032532443219639155,1.6,1.5635323803399939,1.5292252278413359,1.4969502233566017,1.4665854374346976,1.4380195802028957,1.4111474297981712,1.3858689009136438,1.362089044798577,1.3397180492583782,1.318671238654599,0.93,0.93,0.93,0.93,0.93,0.93,0.93,0.93,0.93,0.93,0.93,0.71,0.7464676196600063,0.7807747721586641,0.8130497766433984,0.8434145625653025,0.8719804197971045,0.898852570201829,0.9241310990863563,0.9479109552014231,0.9702819507416218,0.9913287613454012,first
+273,1.25,97,4.3130698778313894e+17,2.5,0.9162907318741551,162.6,Branched,Enzyme,1,0.11872862603284945,0.1032646503447392,6.85,2.2025862411174546,1.7888077604605312,1.6659690537006984,1.6223651154910144,1.606424976943651,1.6004878719385325,1.5979528038889306,1.5971313347485312,1.5969461851827405,1.5966930706657518,3.68,1.3562931205587274,1.1494038802302657,1.0879845268503494,1.0661825577455075,1.0582124884718258,1.0552439359692667,1.0539764019444655,1.053565667374266,1.0534730925913705,1.0533465353328761,0.46,2.7837068794412723,2.990596119769734,3.052015473149651,3.0738174422544926,3.0817875115281743,3.0847560640307337,3.086023598055535,3.0864343326257346,3.0865269074086297,3.086653464667124,third
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+276,8.84,99,3.946934554251347e+16,2.02,0.7030975114131134,147.4,Linear,Enzyme,1,0.0072317759041126,0.0051993729671968095,5.94,4.6356469004374246,3.9005397641775406,3.408803113333203,3.0553990649670104,2.7870486868388573,2.5780976729474845,2.4086513434377665,2.2676108190425017,2.1493341086936195,2.0487062549535517,4.52,3.867823450218711,3.5002698820887694,3.2544015566666005,3.0776995324835044,2.9435243434194276,2.839048836473741,2.7543256717188824,2.68380540952125,2.624667054346809,2.574353127476775,1.89,2.542176549781288,2.90973011791123,3.155598443333399,3.332300467516495,3.4664756565805717,3.5709511635262583,3.655674328281117,3.7261945904787495,3.7853329456531903,3.8356468725232244,third
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+274,10.03,90,3.461100761074992e+17,1.58,0.4574248470388755,44.9,Branched,Acid,1,2.405642362393659,2.059589497890729,9.17,2.7657549221274444,2.76863334972008,2.7660196808656585,2.7664976514884394,2.7681815452846457,2.765368411268241,2.7675488961214625,2.7669504964496543,2.7657622105580693,2.7677237223713105,4.09,0.8878774610637225,0.8893166748600403,0.8880098404328296,0.8882488257442203,0.8890907726423232,0.8876842056341203,0.8887744480607311,0.8884752482248275,0.8878811052790352,0.8888618611856557,4.74,7.942122538936279,7.940683325139961,7.9419901595671725,7.941751174255782,7.94090922735768,7.942315794365881,7.9412255519392705,7.941524751775175,7.942118894720968,7.941138138814349,third
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