IsoSpecPy 2.5.0__py3-none-win32.whl

IsoSpecPy/IsoSpec++/unimod_table_data.h

@@ -0,0 +1,1027 @@
+/*
+ *   Copyright (C) 2015-2026 Mateusz Łącki and Michał Startek.
+ *
+ *   This file is part of IsoSpec.
+ *
+ *   IsoSpec is free software: you can redistribute it and/or modify
+ *   it under the terms of the Simplified ("2-clause") BSD licence.
+ *
+ *   IsoSpec is distributed in the hope that it will be useful,
+ *   but WITHOUT ANY WARRANTY; without even the implied warranty of
+ *   MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.
+ *
+ *   You should have received a copy of the Simplified BSD Licence
+ *   along with IsoSpec.  If not, see <https://opensource.org/licenses/BSD-2-Clause>.
+ */
+
+// Generated by scripts/build_unimod_table.py -- do not edit by hand.
+// Embeds data/unimod.csv, split into chunks well under MSVC's single-string-
+// literal size limit (see _CHUNK_LIMIT_BYTES in that script for why this is
+// chunked at all -- a single large literal here previously tripped MSVC's
+// C2026 "string too big" diagnostic in CI). Concatenated into one
+// std::string at load time by unimod.cpp's embedded_unimod_table(). Re-run
+// the script to regenerate both data/unimod.csv and this file together (see
+// that file's docstring and docs/ai/unimod.md).
+#pragma once
+
+#include <cstddef>
+
+namespace IsoSpec {
+
+static const char* const kEmbeddedUnimodCsvChunks[] = {
+    R"UNIMODCSV(id,name,mono_mass,composition
+1,Acetyl,42.010565,H2C2O1
+2,Amidated,-0.984016,H1N1O-1
+3,Biotin,226.077598,H14C10N2O2S1
+4,Carbamidomethyl,57.021464,H3C2N1O1
+5,Carbamyl,43.005814,H1C1N1O1
+6,Carboxymethyl,58.005479,H2C2O2
+7,Deamidated,0.984016,H-1N-1O1
+8,ICAT-G,486.251206,H38C22N4O6S1
+10,Met->Hse,-29.992806,H-2C-1O1S-1
+11,Met->Hsl,-48.003371,H-4C-1S-1
+13,ICAT-D,442.224991,H34C20N4O5S1
+17,NIPCAM,99.068414,H9C5N1O1
+20,PEO-Iodoacetyl-LC-Biotin,414.193691,H30C18N4O5S1
+21,Phospho,79.966331,H1O3P1
+23,Dehydrated,-18.010565,H-2O-1
+24,Propionamide,71.037114,H5C3N1O1
+25,Pyridylacetyl,119.037114,H5C7N1O1
+26,Pyro-carbamidomethyl,39.994915,C2O1
+27,Glu->pyro-Glu,-18.010565,H-2O-1
+28,Gln->pyro-Glu,-17.026549,H-3N-1
+29,SMA,127.063329,H9C6N1O2
+30,Cation:Na,21.981943,H-1Na1
+31,Pyridylethyl,105.057849,H7C7N1
+34,Methyl,14.01565,H2C1
+35,Oxidation,15.994915,O1
+36,Dimethyl,28.0313,H4C2
+37,Trimethyl,42.04695,H6C3
+39,Methylthio,45.987721,H2C1S1
+40,Sulfo,79.956815,O3S1
+42,Lipoyl,188.032956,H12C8O1S2
+44,Farnesyl,204.187801,H24C15
+45,Myristoyl,210.198366,H26C14O1
+46,PyridoxalPhosphate,229.014009,H8C8N1O5P1
+47,Palmitoyl,238.229666,H30C16O1
+48,GeranylGeranyl,272.250401,H32C20
+49,Phosphopantetheine,340.085794,H21C11N2O6P1S1
+50,FAD,783.141486,H31C27N9O15P2
+51,Tripalmitate,788.725777,H96C51O5
+52,Guanidinyl,42.021798,H2C1N2
+53,HNE,156.11503,H16C9O2
+55,Glutathione,305.068156,H15C10N3O6S1
+58,Propionyl,56.026215,H4C3O1
+60,GIST-Quat,127.099714,H13C7N1O1
+64,Succinyl,100.016044,H4C4O3
+89,Iminobiotin,225.093583,H15C10N3O1S1
+90,ESP,338.177647,H26C16N4O2S1
+92,NHS-LC-Biotin,339.161662,H25C16N3O3S1
+93,EDT-maleimide-PEO-biotin,601.206246,H39C25N5O6S3
+94,IMID,68.037448,H4C3N2
+105,ICAT-C,227.126991,H17C10N3O3
+107,FormylMet,159.035399,H9C6N1O2S1
+108,Nethylmaleimide,125.047679,H7C6N1O2
+112,OxLysBiotinRed,354.172562,H26C16N4O3S1
+113,OxLysBiotin,352.156911,H24C16N4O3S1
+114,OxProBiotinRed,371.199111,H29C16N5O3S1
+115,OxProBiotin,369.183461,H27C16N5O3S1
+116,OxArgBiotin,310.135113,H22C15N2O3S1
+117,OxArgBiotinRed,312.150763,H24C15N2O3S1
+118,EDT-iodoacetyl-PEO-biotin,490.174218,H34C20N4O4S3
+119,IBTP,316.138088,H21C22P1
+121,GG,114.042927,H6C4N2O2
+122,Formyl,27.994915,C1O1
+123,ICAT-H,345.097915,H20C15N1O6Cl1
+126,Xlink:DTSSP[88],87.998285,H4C3O1S1
+127,Fluoro,17.990578,H-1F1
+128,Fluorescein,387.074287,H13C22N1O6
+129,Iodo,125.896648,H-1I1
+130,Diiodo,251.793296,H-2I2
+131,Triiodo,377.689944,H-3I3
+134,Myristoleyl,208.182715,H24C14O1
+135,Myristoyl+Delta:H(-4),206.167065,H22C14O1
+136,Benzoyl,104.026215,H4C7O1
+139,Dansyl,233.051049,H11C12N1O2S1
+140,a-type-ion,-46.005479,H-2C-1O-2
+141,Amidine,41.026549,H3C2N1
+162,Delta:S(-1)Se(1),47.944449,S-1Se1
+172,NBS,152.988449,H3C6N1O2S1
+176,BHT,218.167065,H22C15O1
+178,DAET,87.050655,H9C4N1O-1S1
+186,HPG,132.021129,H4C8O2
+187,2HPG,282.052824,H10C16O5
+194,AccQTag,170.048013,H6C10N2O1
+195,QAT,171.149738,H19C9N2O1
+197,EQAT,184.157563,H20C10N2O1
+200,Ethanedithiol,75.980527,H4C2O-1S2
+205,Delta:H(6)C(6)O(1),94.041865,H6C6O1
+206,Delta:H(4)C(3)O(1),56.026215,H4C3O1
+207,Delta:H(2)C(3),38.01565,H2C3
+208,Delta:H(4)C(6),76.0313,H4C6
+209,Delta:H(8)C(6)O(2),112.05243,H8C6O2
+211,NEIAA,85.052764,H7C4N1O1
+243,IGBP,296.016039,H13C12N2O2Br1
+253,Crotonaldehyde,70.041865,H6C4O1
+254,Delta:H(2)C(2),26.01565,H2C2
+255,Delta:H(4)C(2),28.0313,H4C2
+256,Delta:H(4)C(3),40.0313,H4C3
+260,Thiophospho,95.943487,H1O2P1S1
+261,SPITC,214.971084,H5C7N1O3S2
+264,PET,121.035005,H7C7N1O-1S1
+270,Cytopiloyne,362.136553,H22C19O7
+271,Cytopiloyne+water,380.147118,H24C19O8
+272,CAF,135.983029,H4C3O4S1
+275,Nitrosyl,28.990164,H-1N1O1
+276,AEBS,183.035399,H9C8N1O2S1
+278,Ethanolyl,44.026215,H4C2O1
+280,Ethyl,28.0313,H4C2
+281,CoenzymeA,765.09956,H34C21N7O16P3S1
+285,SulfanilicAcid,155.004099,H5C6N1O2S1
+288,Trp->Oxolactone,13.979265,H-2O1
+289,Biotin-PEO-Amine,356.188212,H28C16N4O3S1
+290,Biotin-HPDP,428.191582,H32C19N4O3S2
+291,Delta:Hg(1),201.970617,Hg1
+292,IodoU-AMP,322.020217,H11C9N2O9P1
+293,CAMthiopropanoyl,145.019749,H7C5N1O2S1
+294,IED-Biotin,326.141261,H22C14N4O3S1
+299,Carboxy,43.989829,C1O2
+)UNIMODCSV",
+    R"UNIMODCSV(301,Bromobimane,190.074228,H10C10N2O2
+302,Menadione,170.036779,H6C11O2
+303,DeStreak,75.998285,H4C2O1S1
+312,Cysteinyl,119.004099,H5C3N1O2S1
+313,Lys-loss,-128.094963,H-12C-6N-2O-1
+314,Nmethylmaleimide,111.032028,H5C5N1O2
+316,DimethylpyrroleAdduct,78.04695,H6C6
+318,Delta:H(2)C(5),62.01565,H2C5
+319,Delta:H(2)C(3)O(1),54.010565,H2C3O1
+320,Nethylmaleimide+water,143.058243,H9C6N1O3
+323,Xlink:B10621,713.093079,H30C31N4O6S1I1
+324,Xlink:DTBP[87],87.01427,H5C3N1S1
+325,FP-Biotin,572.316129,H49C27N4O5P1S1
+327,Delta:H(4)C(2)O(-1)S(1),44.008456,H4C2O-1S1
+332,Thiophos-S-S-biotin,525.142894,H34C19N4O5P1S3
+333,Can-FP-biotin,447.195679,H34C19N3O5P1S1
+335,HNE+Delta:H(2),158.13068,H18C9O2
+337,Methylamine,13.031634,H3C1N1O-1
+340,Bromo,77.910511,H-1Br1
+342,Amino,15.010899,H1N1
+343,Argbiotinhydrazide,199.066699,H13C9N1O2S1
+344,Arg->GluSA,-43.053433,H-5C-1N-3O1
+345,Trioxidation,47.984744,O3
+348,His->Asn,-23.015984,H-1C-2N-1O1
+349,His->Asp,-22.031969,H-2C-2N-2O2
+350,Trp->Hydroxykynurenin,19.989829,C-1O2
+351,Trp->Kynurenin,3.994915,C-1O1
+352,Lys->Allysine,-1.031634,H-3N-1O1
+353,Lysbiotinhydrazide,241.088497,H15C10N3O2S1
+354,Nitro,44.985078,H-1N1O2
+357,probiotinhydrazide,258.115047,H18C10N4O2S1
+359,Pro->pyro-Glu,13.979265,H-2O1
+360,Pro->Pyrrolidinone,-30.010565,H-2C-1O-1
+361,Thrbiotinhydrazide,240.104482,H16C10N4O1S1
+362,Diisopropylphosphate,164.060231,H13C6O3P1
+363,Isopropylphospho,122.013281,H7C3O3P1
+365,ICPL,105.021464,H3C6N1O1
+368,Cys->Dha,-33.987721,H-2S-1
+369,Pro->Pyrrolidone,-27.994915,C-1O-1
+371,HMVK,86.036779,H6C4O2
+372,Arg->Orn,-42.021798,H-2C-1N-2
+374,Dehydro,-1.007825,H-1
+375,Diphthamide,142.110613,H14C7N2O1
+376,Hydroxyfarnesyl,220.182715,H24C15O1
+377,Diacylglycerol,576.511761,H68C37O4
+378,Carboxyethyl,72.021129,H4C3O2
+379,Hypusine,87.068414,H9C4N1O1
+380,Retinylidene,266.203451,H26C20
+381,Lys->AminoadipicAcid,14.96328,H-3N-1O2
+382,Cys->PyruvicAcid,-33.003705,H-3N-1O1S-1
+385,Ammonia-loss,-17.026549,H-3N-1
+387,Phycocyanobilin,586.279135,H38C33N4O6
+388,Phycoerythrobilin,588.294785,H40C33N4O6
+389,Phytochromobilin,584.263485,H36C33N4O6
+390,Heme,616.177295,H32C34N4O4Fe1
+391,Molybdopterin,521.884073,H11C10N5O8P1S2Mo1
+392,Quinone,29.974179,H-2O2
+394,GPIanchor,123.00853,H6C2N1O3P1
+395,PhosphoribosyldephosphoCoA,881.146904,H42C26N7O19P3S1
+396,GlycerylPE,197.04531,H12C5N1O5P1
+397,Triiodothyronine,469.716159,H1C6O1I3
+398,Thyroxine,595.612807,C6O1I4
+400,Tyr->Dha,-94.041865,H-6C-6O-1
+401,Didehydro,-2.01565,H-2
+402,Cys->Oxoalanine,-17.992806,H-2O1S-1
+403,Ser->LacticAcid,-15.010899,H-1N-1
+405,Phosphoadenosine,329.05252,H12C10N5O6P1
+407,Hydroxycinnamyl,146.036779,H6C9O2
+409,FMNH,454.088965,H19C17N4O9P1
+410,Archaeol,634.662782,H86C43O2
+411,Phenylisocyanate,119.037114,H5C7N1O1
+413,Phosphoguanosine,345.047435,H12C10N5O7P1
+414,Hydroxymethyl,30.010565,H2C1O1
+415,MolybdopterinGD+Delta:S(-1)Se(1),1620.930224,H47C40N20O26P4S3Se1Mo1
+416,Dipyrrolylmethanemethyl,418.137616,H22C20N2O8
+417,PhosphoUridine,306.025302,H11C9N2O8P1
+419,Glycerophospho,154.00311,H7C3O5P1
+420,Carboxy->Thiocarboxy,15.977156,O-1S1
+421,Sulfide,31.972071,S1
+422,PyruvicAcidIminyl,70.005479,H2C3O2
+423,Delta:Se(1),79.91652,Se1
+424,MolybdopterinGD,1572.985775,H47C40N20O26P4S4Mo1
+425,Dioxidation,31.989829,O2
+426,Octanoyl,126.104465,H14C8O1
+431,Palmitoleyl,236.214016,H28C16O1
+432,Cholesterol,368.344302,H44C27
+433,Didehydroretinylidene,264.187801,H24C20
+434,CHDH,294.183109,H26C17O4
+435,Methylpyrroline,109.052764,H7C6N1O1
+436,Hydroxyheme,614.161645,H30C34N4O4Fe1
+437,MicrocinC7,386.110369,H19C13N6O6P1
+438,Cyano,24.995249,H-1C1N1
+439,Diironsubcluster,342.786916,H-1C5N2O5S2Fe2
+440,Amidino,42.021798,H2C1N2
+442,FMN,438.094051,H19C17N4O8P1
+443,FMNC,456.104615,H21C17N4O9P1
+444,CuSMo,922.834855,H24C19N8O15P2S3Cu1Mo1
+445,Hydroxytrimethyl,59.04969,H7C3O1
+447,Deoxy,-15.994915,O-1
+448,Microcin,831.197041,H37C36N3O20
+449,Decanoyl,154.135765,H18C10O1
+450,Glu,129.042593,H7C5N1O3
+451,GluGlu,258.085186,H14C10N2O6
+452,GluGluGlu,387.127779,H21C15N3O9
+453,GluGluGluGlu,516.170373,H28C20N4O12
+)UNIMODCSV",
+    R"UNIMODCSV(455,Xlink:DMP[154],154.110613,H14C8N2O1
+457,NDA,175.042199,H5C13N1
+472,AEC-MAEC,59.019355,H5C2N1O-1S1
+476,TMAB,128.107539,H14C7N1O1
+478,FTC,421.073241,H15C21N3O5S1
+488,DHP,118.065674,H8C8N1
+493,BADGE,340.167459,H24C21O4
+494,CyDye-Cy3,672.298156,H44C37N4O6S1
+495,CyDye-Cy5,684.298156,H44C38N4O6S1
+498,BHTOH,234.16198,H22C15O2
+500,Nmethylmaleimide+water,129.042593,H7C5N1O3
+501,PyMIC,134.048013,H6C7N2O1
+503,LG-lactam-K,332.19876,H28C20O4
+504,LG-Hlactam-K,348.193674,H28C20O5
+505,LG-lactam-R,290.176961,H26C19N-2O4
+506,LG-Hlactam-R,306.171876,H26C19N-2O5
+513,C8-QAT,227.224915,H29C14N1O1
+514,PropylNAGthiazoline,232.064354,H14C9N1O4S1
+515,FNEM,427.069202,H13C24N1O7
+518,Diethyl,56.0626,H8C4
+519,BisANS,594.091928,H22C32N2O6S2
+520,Piperidine,68.0626,H8C5
+522,Maleimide-PEO2-Biotin,525.225719,H35C23N5O7S1
+523,Sulfo-NHS-LC-LC-Biotin,452.245726,H36C22N4O4S1
+526,Dethiomethyl,-48.003371,H-4C-1S-1
+528,Methyl+Deamidated,14.999666,H1C1N-1O1
+529,Delta:H(5)C(2),29.039125,H5C2
+530,Cation:K,37.955882,H-1K1
+531,Cation:Cu[I],61.921774,H-1Cu1
+534,Dibromo,155.821022,H-2Br2
+535,LRGG,383.228103,H29C16N7O4
+538,Biotin:Cayman-10141,626.386577,H54C35N4O4S1
+539,Biotin:Cayman-10013,660.428442,H60C36N4O5S1
+540,Ala->Ser,15.994915,O1
+541,Ala->Thr,30.010565,H2C1O1
+542,Ala->Asp,43.989829,C1O2
+543,Ala->Pro,26.01565,H2C2
+544,Ala->Gly,-14.01565,H-2C-1
+545,Ala->Glu,58.005479,H2C2O2
+546,Ala->Val,28.0313,H4C2
+547,Cys->Phe,44.059229,H4C6S-1
+548,Cys->Ser,-15.977156,O1S-1
+549,Cys->Trp,83.070128,H5C8N1S-1
+550,Cys->Tyr,60.054144,H4C6O1S-1
+551,Cys->Arg,53.091927,H7C3N3S-1
+552,Cys->Gly,-45.987721,H-2C-1S-1
+553,Asp->Ala,-43.989829,C-1O-2
+554,Asp->His,22.031969,H2C2N2O-2
+555,Asp->Asn,-0.984016,H1N1O-1
+556,Asp->Gly,-58.005479,H-2C-2O-2
+557,Asp->Tyr,48.036386,H4C5O-1
+558,Asp->Glu,14.01565,H2C1
+559,Asp->Val,-15.958529,H4C1O-2
+560,Glu->Ala,-58.005479,H-2C-2O-2
+561,Glu->Gln,-0.984016,H1N1O-1
+562,Glu->Asp,-14.01565,H-2C-1
+563,Glu->Lys,-0.94763,H5C1N1O-2
+564,Glu->Gly,-72.021129,H-4C-3O-2
+565,Glu->Val,-29.974179,H2O-2
+566,Phe->Ser,-60.036386,H-4C-6O1
+567,Phe->Cys,-44.059229,H-4C-6S1
+568,Phe->Xle,-33.98435,H2C-3
+569,Phe->Tyr,15.994915,O1
+570,Phe->Val,-48.0,C-4
+571,Gly->Ala,14.01565,H2C1
+572,Gly->Ser,30.010565,H2C1O1
+573,Gly->Trp,129.057849,H7C9N1
+574,Gly->Glu,72.021129,H4C3O2
+575,Gly->Val,42.04695,H6C3
+576,Gly->Asp,58.005479,H2C2O2
+577,Gly->Cys,45.987721,H2C1S1
+578,Gly->Arg,99.079647,H9C4N3
+580,His->Pro,-40.006148,C-1N-2
+581,His->Tyr,26.004417,H2C3N-2O1
+582,His->Gln,-9.000334,H1C-1N-1O1
+584,His->Arg,19.042199,H5N1
+585,His->Xle,-23.974848,H4N-2
+588,Xle->Thr,-12.036386,H-4C-2O1
+589,Xle->Asn,0.958863,H-5C-2N1O1
+590,Xle->Lys,15.010899,H1N1
+594,Lys->Thr,-27.047285,H-5C-2N-1O1
+595,Lys->Asn,-14.052036,H-6C-2O1
+596,Lys->Glu,0.94763,H-5C-1N-1O2
+597,Lys->Gln,-0.036386,H-4C-1O1
+598,Lys->Met,2.945522,H-3C-1N-1S1
+599,Lys->Arg,28.006148,N2
+600,Lys->Xle,-15.010899,H-1N-1
+601,Xle->Ser,-26.052036,H-6C-3O1
+602,Xle->Phe,33.98435,H-2C3
+603,Xle->Trp,72.995249,H-1C5N1
+604,Xle->Pro,-16.0313,H-4C-1
+605,Xle->Val,-14.01565,H-2C-1
+606,Xle->His,23.974848,H-4N2
+607,Xle->Gln,14.974514,H-3C-1N1O1
+608,Xle->Met,17.956421,H-2C-1S1
+609,Xle->Arg,43.017047,H1N3
+610,Met->Thr,-29.992806,H-2C-1O1S-1
+611,Met->Arg,25.060626,H3C1N3S-1
+613,Met->Lys,-2.945522,H3C1N1S-1
+614,Met->Xle,-17.956421,H2C1S-1
+615,Met->Val,-31.972071,S-1
+616,Asn->Ser,-27.010899,H-1C-1N-1
+617,Asn->Thr,-12.995249,H1N-1
+618,Asn->Lys,14.052036,H6C2O-1
+619,Asn->Tyr,49.020401,H3C5N-1
+620,Asn->His,23.015984,H1C2N1O-1
+621,Asn->Asp,0.984016,H-1N-1O1
+622,Asn->Xle,-0.958863,H5C2N-1O-1
+623,Pro->Ser,-10.020735,H-2C-2O1
+624,Pro->Ala,-26.01565,H-2C-2
+625,Pro->His,40.006148,C1N2
+626,Pro->Gln,31.005814,H1N1O1
+627,Pro->Thr,3.994915,C-1O1
+628,Pro->Arg,59.048347,H5C1N3
+629,Pro->Xle,16.0313,H4C1
+630,Gln->Pro,-31.005814,H-1N-1O-1
+631,Gln->Lys,0.036386,H4C1O-1
+632,Gln->Glu,0.984016,H-1N-1O1
+633,Gln->His,9.000334,H-1C1N1O-1
+634,Gln->Arg,28.042534,H4C1N2O-1
+635,Gln->Xle,-14.974514,H3C1N-1O-1
+636,Arg->Ser,-69.069083,H-7C-3N-3O1
+637,Arg->Trp,29.978202,H-2C5N-2
+)UNIMODCSV",
+    R"UNIMODCSV(638,Arg->Thr,-55.053433,H-5C-2N-3O1
+639,Arg->Pro,-59.048347,H-5C-1N-3
+640,Arg->Lys,-28.006148,N-2
+641,Arg->His,-19.042199,H-5N-1
+642,Arg->Gln,-28.042534,H-4C-1N-2O1
+643,Arg->Met,-25.060626,H-3C-1N-3S1
+644,Arg->Cys,-53.091927,H-7C-3N-3S1
+645,Arg->Xle,-43.017047,H-1N-3
+646,Arg->Gly,-99.079647,H-9C-4N-3
+647,Ser->Phe,60.036386,H4C6O-1
+648,Ser->Ala,-15.994915,O-1
+649,Ser->Trp,99.047285,H5C8N1O-1
+650,Ser->Thr,14.01565,H2C1
+651,Ser->Asn,27.010899,H1C1N1
+652,Ser->Pro,10.020735,H2C2O-1
+653,Ser->Tyr,76.0313,H4C6
+654,Ser->Cys,15.977156,O-1S1
+655,Ser->Arg,69.069083,H7C3N3O-1
+656,Ser->Xle,26.052036,H6C3O-1
+657,Ser->Gly,-30.010565,H-2C-1O-1
+658,Thr->Ser,-14.01565,H-2C-1
+659,Thr->Ala,-30.010565,H-2C-1O-1
+660,Thr->Asn,12.995249,H-1N1
+661,Thr->Lys,27.047285,H5C2N1O-1
+662,Thr->Pro,-3.994915,C1O-1
+663,Thr->Met,29.992806,H2C1O-1S1
+664,Thr->Xle,12.036386,H4C2O-1
+665,Thr->Arg,55.053433,H5C2N3O-1
+666,Val->Phe,48.0,C4
+667,Val->Ala,-28.0313,H-4C-2
+668,Val->Glu,29.974179,H-2O2
+669,Val->Met,31.972071,S1
+670,Val->Asp,15.958529,H-4C-1O2
+671,Val->Xle,14.01565,H2C1
+672,Val->Gly,-42.04695,H-6C-3
+673,Trp->Ser,-99.047285,H-5C-8N-1O1
+674,Trp->Cys,-83.070128,H-5C-8N-1S1
+675,Trp->Arg,-29.978202,H2C-5N2
+676,Trp->Gly,-129.057849,H-7C-9N-1
+677,Trp->Xle,-72.995249,H1C-5N-1
+678,Tyr->Phe,-15.994915,O-1
+679,Tyr->Ser,-76.0313,H-4C-6
+680,Tyr->Asn,-49.020401,H-3C-5N1
+681,Tyr->His,-26.004417,H-2C-3N2O-1
+682,Tyr->Asp,-48.036386,H-4C-5O1
+683,Tyr->Cys,-60.054144,H-4C-6O-1S1
+684,BDMAPP,253.010225,H12C11N1O1Br1
+685,NA-LNO2,325.225309,H31C18N1O4
+686,NA-OA-NO2,327.240959,H33C18N1O4
+697,NIC,105.021464,H3C6N1O1
+720,HNE-Delta:H(2)O,138.104465,H14C9O1
+721,4-ONE,154.09938,H14C9O2
+723,O-Dimethylphosphate,107.997631,H5C2O3P1
+724,O-Methylphosphate,93.981981,H3C1O3P1
+725,Diethylphosphate,136.028931,H9C4O3P1
+726,Ethylphosphate,107.997631,H5C2O3P1
+727,O-pinacolylmethylphosphonate,162.080967,H15C7O2P1
+728,Methylphosphonate,77.987066,H3C1O2P1
+729,O-Isopropylmethylphosphonate,120.034017,H9C4O2P1
+734,Ethanolamine,43.042199,H5C2N1
+735,BEMAD_ST,136.001656,H8C4O1S2
+736,BEMAD_C,120.0245,H8C4O2S1
+739,TMT,224.152478,H20C12N2O2
+743,4-ONE+Delta:H(-2)O(-1),136.088815,H12C9O1
+744,NO_SMX_SEMD,251.036462,H9C10N3O3S1
+746,NO_SMX_SIMD,267.031377,H9C10N3O4S1
+747,Malonyl,86.000394,H2C3O3
+748,3sulfo,183.983029,H4C7O4S1
+750,trifluoro,53.971735,H-3F3
+751,TNBS,210.986535,H1C6N3O6
+762,IDEnT,214.990469,H7C9N1O1Cl2
+765,Met-loss,-131.040485,H-9C-5N-1O-1S-1
+766,Met-loss+Acetyl,-89.02992,H-7C-3N-1S-1
+767,Menadione-HQ,172.05243,H8C11O2
+771,lapachenole,240.11503,H16C16O2
+773,maleimide,97.016378,H3C4N1O2
+774,Biotin-phenacyl,626.263502,H38C29N8O6S1
+800,Biotin:Thermo-21345,311.166748,H25C15N3O2S1
+801,Pentylamine,70.07825,H10C5
+811,Biotin:Thermo-21360,487.246455,H37C21N5O6S1
+821,Cy3b-maleimide,682.24612,H38C37N4O7S1
+822,Gly-loss+Amide,-58.005479,H-2C-2O-2
+824,Xlink:BMOE,220.048407,H8C10N2O4
+825,Xlink:DFDNB,163.985807,C6N2O4
+827,TMPP-Ac,572.181134,H33C29O10P1
+830,Dihydroxyimidazolidine,72.021129,H4C3O2
+837,Arg->Npo,80.985078,H-1C3N1O2
+846,EQIGG,484.228162,H32C20N6O8
+848,Arg2PG,266.057909,H10C16O4
+849,cGMP,343.031785,H10C10N5O7P1
+851,cGMP+RMP-loss,150.041585,H4C5N5O1
+859,MG-H1,54.010565,H2C3O1
+860,G-H1,39.994915,C2O1
+861,ZGB,758.380841,H53B1C37N6O6F2S1
+876,QEQTGG,600.250354,H36C23N8O11
+877,QQQTGG,599.266339,H37C23N9O10
+884,Biotin:Thermo-21325,695.310118,H45C34N7O7S1
+886,HydroxymethylOP,108.021129,H4C6O2
+887,MDCC,383.148121,H21C20N3O5
+888,mTRAQ,140.094963,H12C7N2O1
+890,DyLight-maleimide,940.1999,H48C39N4O15S4
+891,Methyl-PEO12-Maleimide,710.383719,H58C32N2O15
+893,CarbamidomethylDTT,209.018035,H11C6N1O3S2
+894,CarboxymethylDTT,210.00205,H10C6O4S2
+895,Biotin-PEG-PRA,578.317646,H42C26N8O7
+896,Met->Aha,-4.986324,H-3C-1N3S-1
+898,pyrophospho,159.932662,H2O6P2
+899,Met->Hpg,-21.987721,H-2C1S-1
+901,4AcAllylGal,372.142033,H24C17O9
+902,DimethylArsino,103.960719,H5C2As1
+903,Lys->CamCys,31.935685,H-4C-1O1S1
+904,Phe->CamCys,12.962234,H-1C-4N1O1S1
+905,Leu->MetOx,33.951335,H-2C-1O1S1
+906,Lys->MetOx,18.940436,H-3C-1N-1O1S1
+)UNIMODCSV",
+    R"UNIMODCSV(908,Xlink:SMCC[321],321.205242,H27C17N3O3
+911,MTSL,184.07961,H14C9N1O1S1
+912,HNE-BAHAH,511.319226,H45C25N5O4S1
+914,Methylmalonylation,100.016044,H4C4O3
+926,ethylamino,27.047285,H5C2N1O-1
+928,MercaptoEthanol,60.003371,H4C2S1
+931,Ethyl+Deamidated,29.015316,H3C2N-1O1
+932,VFQQQTGG,845.403166,H55C37N11O12
+933,VIEVYQEQTGG,1203.577168,H81C53N13O19
+934,AMTzHexNAc2,502.202341,H30C19N6O10
+935,Atto495Maleimide,474.250515,H32C27N5O3
+936,Chlorination,33.961028,H-1Cl1
+937,dichlorination,67.922055,H-2Cl2
+938,AROD,820.336015,H52C35N10O9S2
+939,Cys->methylaminoAla,-2.945522,H3C1N1S-1
+940,Cys->ethylaminoAla,11.070128,H5C2N1S-1
+941,DNPS,198.981352,H3C6N2O4S1
+942,SulfoGMBS,458.162391,H26C22N4O5S1
+943,DimethylamineGMBS,267.158292,H21C13N3O3
+946,LG-anhydrolactam,314.188195,H26C20O3
+947,LG-pyrrole,316.203845,H28C20O3
+948,LG-anhyropyrrole,298.19328,H26C20O2
+949,3-deoxyglucosone,144.042259,H8C6O4
+950,Cation:Li,6.008178,H-1Li1
+951,Cation:Ca[II],37.946941,H-2Ca1
+952,Cation:Fe[II],53.919289,H-2Fe1
+953,Cation:Ni[II],55.919696,H-2Ni1
+954,Cation:Zn[II],61.913495,H-2Zn1
+955,Cation:Ag,105.897267,H-1Ag1
+956,Cation:Mg[II],21.969392,H-2Mg1
+957,2-succinyl,116.010959,H4C4O4
+958,Propargylamine,37.031634,H3C3N1O-1
+959,Phosphopropargyl,116.997965,H4C3N1O2P1
+960,SUMO2135,2135.920496,H137C90N21O37S1
+961,SUMO3549,3549.536568,H224C150N38O60S1
+967,thioacylPA,159.035399,H9C6N1O2S1
+971,maleimide3,969.366232,H59C37N7O23
+972,maleimide5,1293.471879,H79C49N7O33
+973,Puromycin,453.212452,H27C22N7O4
+977,Carbofuran,57.021464,H3C2N1O1
+978,BITC,149.02992,H7C8N1S1
+979,PEITC,163.04557,H9C9N1S1
+981,glucosone,160.037173,H8C6O5
+984,cysTMT,299.166748,H25C14N3O2S1
+989,Ammonium,17.026549,H3N1
+991,ISD_z+2_ion,-15.010899,H-1N-1
+993,Biotin:Sigma-B1267,449.17329,H27C20N5O5S1
+997,sulfo+amino,94.967714,H1N1O3S1
+1000,AHA-Alkyne,107.077339,H5C4N5O1S-1
+1001,AHA-Alkyne-KDDDD,695.280074,H37C26N11O14S-1
+1002,EGCG1,456.069261,H16C22O11
+1003,EGCG2,287.055563,H11C15O6
+1008,Cys->CamSec,104.965913,H3C2N1O1S-1Se1
+1009,Thiazolidine,12.0,C1
+1010,DEDGFLYMVYASQETFG,1970.824411,H122C89N18O31S1
+1012,Biotin:Invitrogen-M1602,523.210069,H33C23N5O7S1
+1014,glycidamide,87.032028,H5C3N1O2
+1015,Ahx2+Hsl,309.205242,H27C16N3O3
+1017,DMPO,111.068414,H9C6N1O1
+1018,ICDID,138.06808,H10C8O2
+1020,Xlink:DSS[156],156.078644,H12C8O3
+1021,Xlink:EGS[244],244.058303,H12C10O7
+1022,Xlink:DST[132],132.005873,H4C4O5
+1023,Xlink:DTSSP[192],191.991486,H8C6O3S2
+1024,Xlink:SMCC[237],237.100108,H15C12N1O4
+1027,Xlink:DMP[140],140.094963,H12C7N2O1
+1028,Xlink:EGS[115],115.026943,H5C4N1O3
+1031,Biotin:Thermo-88310,196.121178,H16C10N2O2
+1032,2-nitrobenzyl,135.032028,H5C7N1O2
+1033,Cys->SecNEM,172.992127,H7C6N1O2S-1Se1
+1035,Thiadiazole,174.025169,H6C9N2S1
+1036,Withaferin,470.266839,H38C28O6
+1037,Biotin:Thermo-88317,443.291294,H42C22N3O4P1
+1038,TAMRA-FP,659.312423,H46C37N3O6P1
+1039,Biotin:Thermo-21901+H2O,543.236284,H37C23N5O8S1
+1041,Deoxyhypusine,71.073499,H9C4N1
+1042,Acetyldeoxyhypusine,113.084064,H11C6N1O1
+1043,Acetylhypusine,129.078979,H11C6N1O2
+1044,Ala->Cys,31.972071,S1
+1045,Ala->Phe,76.0313,H4C6
+1046,Ala->His,66.021798,H2C3N2
+1047,Ala->Xle,42.04695,H6C3
+1048,Ala->Lys,57.057849,H7C3N1
+1049,Ala->Met,60.003371,H4C2S1
+1050,Ala->Asn,43.005814,H1C1N1O1
+1051,Ala->Gln,57.021464,H3C2N1O1
+1052,Ala->Arg,85.063997,H7C3N3
+1053,Ala->Trp,115.042199,H5C8N1
+1054,Ala->Tyr,92.026215,H4C6O1
+1055,Cys->Ala,-31.972071,S-1
+1056,Cys->Asp,12.017759,C1O2S-1
+1057,Cys->Glu,26.033409,H2C2O2S-1
+1058,Cys->His,34.049727,H2C3N2S-1
+1059,Cys->Xle,10.07488,H6C3S-1
+1060,Cys->Lys,25.085779,H7C3N1S-1
+1061,Cys->Met,28.0313,H4C2
+1062,Cys->Asn,11.033743,H1C1N1O1S-1
+1063,Cys->Pro,-5.956421,H2C2S-1
+1064,Cys->Gln,25.049393,H3C2N1O1S-1
+1065,Cys->Thr,-1.961506,H2C1O1S-1
+1066,Cys->Val,-3.940771,H4C2S-1
+1067,Asp->Cys,-12.017759,C-1O-2S1
+1068,Asp->Phe,32.041471,H4C5O-2
+1069,Asp->Xle,-1.942879,H6C2O-2
+1070,Asp->Lys,13.06802,H7C2N1O-2
+1071,Asp->Met,16.013542,H4C1O-2S1
+1072,Asp->Pro,-17.974179,H2C1O-2
+1073,Asp->Gln,13.031634,H3C1N1O-1
+1074,Asp->Arg,41.074168,H7C2N3O-2
+1075,Asp->Ser,-27.994915,C-1O-1
+)UNIMODCSV",
+    R"UNIMODCSV(1076,Asp->Thr,-13.979265,H2O-1
+1077,Asp->Trp,71.05237,H5C7N1O-2
+1078,Glu->Cys,-26.033409,H-2C-2O-2S1
+1079,Glu->Phe,18.025821,H2C4O-2
+1080,Glu->His,8.016319,C1N2O-2
+1081,Glu->Xle,-15.958529,H4C1O-2
+1082,Glu->Met,1.997892,H2O-2S1
+1083,Glu->Asn,-14.999666,H-1C-1N1O-1
+1084,Glu->Pro,-31.989829,O-2
+1085,Glu->Arg,27.058518,H5C1N3O-2
+1086,Glu->Ser,-42.010565,H-2C-2O-1
+1087,Glu->Thr,-27.994915,C-1O-1
+1088,Glu->Trp,57.03672,H3C6N1O-2
+1089,Glu->Tyr,34.020735,H2C4O-1
+1090,Phe->Ala,-76.0313,H-4C-6
+1091,Phe->Asp,-32.041471,H-4C-5O2
+1092,Phe->Glu,-18.025821,H-2C-4O2
+1093,Phe->Gly,-90.04695,H-6C-7
+1094,Phe->His,-10.009502,H-2C-3N2
+1095,Phe->Lys,-18.973451,H3C-3N1
+1096,Phe->Met,-16.027929,C-4S1
+1097,Phe->Asn,-33.025486,H-3C-5N1O1
+1098,Phe->Pro,-50.01565,H-2C-4
+1099,Phe->Gln,-19.009836,H-1C-4N1O1
+1100,Phe->Arg,9.032697,H3C-3N3
+1101,Phe->Thr,-46.020735,H-2C-5O1
+1102,Phe->Trp,39.010899,H1C2N1
+1103,Gly->Phe,90.04695,H6C7
+1104,Gly->His,80.037448,H4C4N2
+1105,Gly->Xle,56.0626,H8C4
+1106,Gly->Lys,71.073499,H9C4N1
+1107,Gly->Met,74.019021,H6C3S1
+1108,Gly->Asn,57.021464,H3C2N1O1
+1109,Gly->Pro,40.0313,H4C3
+1110,Gly->Gln,71.037114,H5C3N1O1
+1111,Gly->Thr,44.026215,H4C2O1
+1112,Gly->Tyr,106.041865,H6C7O1
+1113,His->Ala,-66.021798,H-2C-3N-2
+1114,His->Cys,-34.049727,H-2C-3N-2S1
+1115,His->Glu,-8.016319,C-1N-2O2
+1116,His->Phe,10.009502,H2C3N-2
+1117,His->Gly,-80.037448,H-4C-4N-2
+1119,His->Lys,-8.963949,H5N-1
+1120,His->Met,-6.018427,H2C-1N-2S1
+1121,His->Ser,-50.026883,H-2C-3N-2O1
+1122,His->Thr,-36.011233,C-2N-2O1
+1123,His->Val,-37.990498,H2C-1N-2
+1124,His->Trp,49.020401,H3C5N-1
+1125,Xle->Ala,-42.04695,H-6C-3
+1126,Xle->Cys,-10.07488,H-6C-3S1
+1127,Xle->Asp,1.942879,H-6C-2O2
+1128,Xle->Glu,15.958529,H-4C-1O2
+1129,Xle->Gly,-56.0626,H-8C-4
+1130,Xle->Tyr,49.979265,H-2C3O1
+1131,Lys->Ala,-57.057849,H-7C-3N-1
+1132,Lys->Cys,-25.085779,H-7C-3N-1S1
+1133,Lys->Asp,-13.06802,H-7C-2N-1O2
+1134,Lys->Phe,18.973451,H-3C3N-1
+1135,Lys->Gly,-71.073499,H-9C-4N-1
+1136,Lys->His,8.963949,H-5N1
+1137,Lys->Pro,-31.042199,H-5C-1N-1
+1138,Lys->Ser,-41.062935,H-7C-3N-1O1
+1139,Lys->Val,-29.026549,H-3C-1N-1
+1140,Lys->Trp,57.98435,H-2C5
+1141,Lys->Tyr,34.968366,H-3C3N-1O1
+1142,Met->Ala,-60.003371,H-4C-2S-1
+1143,Met->Cys,-28.0313,H-4C-2
+1144,Met->Asp,-16.013542,H-4C-1O2S-1
+1145,Met->Glu,-1.997892,H-2O2S-1
+1146,Met->Phe,16.027929,C4S-1
+1147,Met->Gly,-74.019021,H-6C-3S-1
+1148,Met->His,6.018427,H-2C1N2S-1
+1149,Met->Asn,-16.997557,H-3C-1N1O1S-1
+1150,Met->Pro,-33.987721,H-2S-1
+1151,Met->Gln,-2.981907,H-1N1O1S-1
+1152,Met->Ser,-44.008456,H-4C-2O1S-1
+1153,Met->Trp,55.038828,H1C6N1S-1
+1154,Met->Tyr,32.022844,C4O1S-1
+1155,Asn->Ala,-43.005814,H-1C-1N-1O-1
+1156,Asn->Cys,-11.033743,H-1C-1N-1O-1S1
+1157,Asn->Glu,14.999666,H1C1N-1O1
+1158,Asn->Phe,33.025486,H3C5N-1O-1
+1159,Asn->Gly,-57.021464,H-3C-2N-1O-1
+1160,Asn->Met,16.997557,H3C1N-1O-1S1
+1161,Asn->Pro,-16.990164,H1C1N-1O-1
+1162,Asn->Gln,14.01565,H2C1
+1163,Asn->Arg,42.058184,H6C2N2O-1
+1164,Asn->Val,-14.974514,H3C1N-1O-1
+1165,Asn->Trp,72.036386,H4C7O-1
+1166,Pro->Cys,5.956421,H-2C-2S1
+1167,Pro->Asp,17.974179,H-2C-1O2
+1168,Pro->Glu,31.989829,O2
+1169,Pro->Phe,50.01565,H2C4
+1170,Pro->Gly,-40.0313,H-4C-3
+1171,Pro->Lys,31.042199,H5C1N1
+1172,Pro->Met,33.987721,H2S1
+1173,Pro->Asn,16.990164,H-1C-1N1O1
+1174,Pro->Val,2.01565,H2
+1175,Pro->Trp,89.026549,H3C6N1
+1176,Pro->Tyr,66.010565,H2C4O1
+1177,Gln->Ala,-57.021464,H-3C-2N-1O-1
+1178,Gln->Cys,-25.049393,H-3C-2N-1O-1S1
+1179,Gln->Asp,-13.031634,H-3C-1N-1O1
+1180,Gln->Phe,19.009836,H1C4N-1O-1
+1181,Gln->Gly,-71.037114,H-5C-3N-1O-1
+1182,Gln->Met,2.981907,H1N-1O-1S1
+1183,Gln->Asn,-14.01565,H-2C-1
+1184,Gln->Ser,-41.026549,H-3C-2N-1
+1185,Gln->Thr,-27.010899,H-1C-1N-1
+1186,Gln->Val,-28.990164,H1N-1O-1
+1187,Gln->Trp,58.020735,H2C6O-1
+1188,Gln->Tyr,35.004751,H1C4N-1
+1189,Arg->Ala,-85.063997,H-7C-3N-3
+1190,Arg->Asp,-41.074168,H-7C-2N-3O2
+1191,Arg->Glu,-27.058518,H-5C-1N-3O2
+1192,Arg->Asn,-42.058184,H-6C-2N-2O1
+1193,Arg->Val,-57.032697,H-3C-1N-3
+1194,Arg->Tyr,6.962218,H-3C3N-3O1
+1195,Arg->Phe,-9.032697,H-3C3N-3
+1196,Ser->Asp,27.994915,C1O1
+)UNIMODCSV",
+    R"UNIMODCSV(1197,Ser->Glu,42.010565,H2C2O1
+1198,Ser->His,50.026883,H2C3N2O-1
+1199,Ser->Lys,41.062935,H7C3N1O-1
+1200,Ser->Met,44.008456,H4C2O-1S1
+1201,Ser->Gln,41.026549,H3C2N1
+1202,Ser->Val,12.036386,H4C2O-1
+1203,Thr->Cys,1.961506,H-2C-1O-1S1
+1204,Thr->Asp,13.979265,H-2O1
+1205,Thr->Glu,27.994915,C1O1
+1206,Thr->Phe,46.020735,H2C5O-1
+1207,Thr->Gly,-44.026215,H-4C-2O-1
+1208,Thr->His,36.011233,C2N2O-1
+1209,Thr->Gln,27.010899,H1C1N1
+1210,Thr->Val,-1.979265,H2C1O-1
+1211,Thr->Trp,85.031634,H3C7N1O-1
+1212,Thr->Tyr,62.01565,H2C5
+1213,Val->Cys,3.940771,H-4C-2S1
+1214,Val->His,37.990498,H-2C1N2
+1215,Val->Lys,29.026549,H3C1N1
+1216,Val->Asn,14.974514,H-3C-1N1O1
+1217,Val->Pro,-2.01565,H-2
+1218,Val->Gln,28.990164,H-1N1O1
+1219,Val->Arg,57.032697,H3C1N3
+1220,Val->Ser,-12.036386,H-4C-2O1
+1221,Val->Thr,1.979265,H-2C-1O1
+1222,Val->Trp,87.010899,H1C6N1
+1223,Val->Tyr,63.994915,C4O1
+1224,Trp->Ala,-115.042199,H-5C-8N-1
+1225,Trp->Asp,-71.05237,H-5C-7N-1O2
+1226,Trp->Glu,-57.03672,H-3C-6N-1O2
+1227,Trp->Phe,-39.010899,H-1C-2N-1
+1228,Trp->His,-49.020401,H-3C-5N1
+1229,Trp->Lys,-57.98435,H2C-5
+1230,Trp->Met,-55.038828,H-1C-6N-1S1
+1231,Trp->Asn,-72.036386,H-4C-7O1
+1232,Trp->Pro,-89.026549,H-3C-6N-1
+1233,Trp->Gln,-58.020735,H-2C-6O1
+1234,Trp->Thr,-85.031634,H-3C-7N-1O1
+1235,Trp->Val,-87.010899,H-1C-6N-1
+1236,Trp->Tyr,-23.015984,H-1C-2N-1O1
+1237,Tyr->Ala,-92.026215,H-4C-6O-1
+1238,Tyr->Glu,-34.020735,H-2C-4O1
+1239,Tyr->Gly,-106.041865,H-6C-7O-1
+1240,Tyr->Lys,-34.968366,H3C-3N1O-1
+1241,Tyr->Met,-32.022844,C-4O-1S1
+1242,Tyr->Pro,-66.010565,H-2C-4O-1
+1243,Tyr->Gln,-35.004751,H-1C-4N1
+1244,Tyr->Arg,-6.962218,H3C-3N3O-1
+1245,Tyr->Thr,-62.01565,H-2C-5
+1246,Tyr->Val,-63.994915,C-4O-1
+1247,Tyr->Trp,23.015984,H1C2N1O-1
+1248,Tyr->Xle,-49.979265,H2C-3O-1
+1249,AHA-SS,195.075625,H9C7N5O2
+1250,AHA-SS_CAM,252.097088,H12C9N6O3
+1251,Biotin:Thermo-33033,548.223945,H36C25N6O4S2
+1252,Biotin:Thermo-33033-H,546.208295,H34C25N6O4S2
+1253,2-monomethylsuccinyl,130.026609,H6C5O4
+1254,Saligenin,106.041865,H6C7O1
+1255,Cresylphosphate,170.013281,H7C7O3P1
+1256,CresylSaligeninPhosphate,276.055146,H13C14O4P1
+1257,Ub-Br2,100.063663,H8C4N2O1
+1258,Ub-VME,172.084792,H12C7N2O3
+1261,Ub-fluorescein,597.209772,H29C31N6O7
+1262,2-dimethylsuccinyl,144.042259,H8C6O4
+1263,Gly,57.021464,H3C2N1O1
+1264,pupylation,243.085521,H13C9N3O5
+1270,HCysThiolactone,117.024835,H7C4N1O1S1
+1271,HCysteinyl,133.019749,H7C4N1O2S1
+1276,UgiJoullie,1106.48935,H60C47N23O10
+1277,Dipyridyl,225.090212,H11C13N3O1
+1278,Furan,66.010565,H2C4O1
+1279,Difuran,132.021129,H4C8O2
+1281,BMP-piperidinol,263.131014,H17C18N1O1
+1282,UgiJoullieProGly,154.074228,H10C7N2O2
+1283,UgiJoullieProGlyProGly,308.148455,H20C14N4O4
+1287,Arg-loss,-156.101111,H-12C-6N-4O-1
+1288,Arg,156.101111,H12C6N4O1
+1289,Butyryl,70.041865,H6C4O1
+1290,Dicarbamidomethyl,114.042927,H6C4N2O2
+1292,GGQ,242.101505,H14C9N4O4
+1293,QTGG,343.149184,H21C13N5O6
+1301,Lys,128.094963,H12C6N2O1
+1305,Propyl,42.04695,H6C3
+1310,Propiophenone,132.057515,H8C9O1
+1312,Delta:H(6)C(3)O(1),58.041865,H6C3O1
+1313,Delta:H(8)C(6)O(1),96.057515,H8C6O1
+1314,biotinAcrolein298,298.146347,H22C13N4O2S1
+1315,MM-diphenylpentanone,265.146664,H19C18N1O1
+1317,EHD-diphenylpentanone,266.13068,H18C18O2
+1320,Biotin:Thermo-21901+2H2O,561.246849,H39C23N5O9S1
+1326,NEMsulfur,157.019749,H7C6N1O2S1
+1327,SulfurDioxide,63.9619,O2S1
+1328,NEMsulfurWater,175.030314,H9C6N1O3S1
+1330,bisANS-sulfonates,434.178299,H22C32N2
+1331,DNCB_hapten,166.001457,H2C6N2O4
+1340,Biotin:Thermo-21911,921.461652,H71C41N5O16S1
+1341,iodoTMT,324.216141,H28C16N4O3
+1344,Phosphogluconoylation,258.014069,H11C6O9P1
+1345,PS_Hapten,120.021129,H4C7O2
+1348,Cy3-maleimide,753.262796,H45C37N4O9S2
+1349,benzylguanidine,132.068748,H8C8N2
+1350,CarboxymethylDMAP,162.079313,H10C9N2O1
+1355,azole,-20.026215,H-4O-1
+1356,phosphoRibosyl,212.00859,H9C5O7P1
+1363,Crotonyl,68.026215,H4C4O1
+1364,O-Et-N-diMePhospho,135.044916,H10C4N1O2P1
+1365,N-dimethylphosphate,107.013615,H6C2N1O2P1
+1380,methylsulfonylethyl,106.00885,H6C3O2S1
+1381,ethylsulfonylethyl,120.0245,H8C4O2S1
+)UNIMODCSV",
+    R"UNIMODCSV(1382,phenylsulfonylethyl,168.0245,H8C8O2S1
+1383,PyridoxalPhosphateH2,231.02966,H10C8N1O5P1
+1384,Homocysteic_acid,33.969094,H-2C-1O3
+1385,Hydroxamic_acid,15.010899,H1N1
+1387,3-phosphoglyceryl,167.982375,H5C3O6P1
+1388,HN2_mustard,101.084064,H11C5N1O1
+1389,HN3_mustard,131.094629,H13C6N1O2
+1390,Oxidation+NEM,141.042593,H7C6N1O3
+1391,NHS-fluorescein,471.131802,H21C27N1O7
+1397,Iodoacetanilide,133.052764,H7C8N1O1
+1399,Dap-DSP,364.076278,H20C13N2O6S2
+1405,EEEDVIEVYQEQTGG,1705.73189,H107C72N17O31
+1406,EDEDTIDVFQQQTGG,1662.700924,H102C69N18O30
+1420,spermine,185.189198,H23C10N3
+1421,spermidine,128.131349,H16C7N2
+1423,Biotin:Thermo-21330,473.219571,H35C21N3O7S1
+1789,Xlink:DSS[155],155.094629,H13C8N1O2
+1799,NQIGG,469.228496,H31C19N7O7
+1800,Carboxyethylpyrrole,122.036779,H6C7O2
+1801,Fluorescein-tyramine,493.116152,H19C29N1O7
+1824,GEE,86.036779,H6C4O2
+1825,RNPXL,324.035867,H13C9N2O9P1
+1826,Glu->pyro-Glu+Methyl,-3.994915,C1O-1
+1828,LRGG+methyl,397.243753,H31C17N7O4
+1829,LRGG+dimethyl,411.259403,H33C18N7O4
+1830,Biotin-tyramide,361.146012,H23C18N3O3S1
+1831,Tris,104.071154,H10C4N1O2
+1832,IASD,452.034807,H16C18N2O8S2
+1833,NP40,220.182715,H24C15O1
+1834,Tween20,165.164326,H21C12
+1835,Tween80,263.237491,H31C18O1
+1836,Triton,188.156501,H20C14
+1837,Brij35,168.187801,H24C12
+1838,Brij58,224.250401,H32C16
+1839,betaFNA,454.210387,H30C25N2O6
+1841,Biotin:Thermo-21328,389.090154,H23C15N3O3S3
+1843,PhosphoCytidine,305.041287,H12C9N3O7P1
+1845,AzidoF,41.001397,H-1N3
+1846,Dimethylaminoethyl,71.073499,H9C4N1
+1848,Gluratylation,114.031694,H6C5O3
+1849,hydroxyisobutyryl,86.036779,H6C4O2
+1868,MeMePhosphorothioate,107.979873,H5C2O1P1S1
+1870,Cation:Fe[III],52.911464,H-3Fe1
+1871,DTT,151.996571,H8C4O2S2
+1872,DYn-2,161.09664,H13C11O1
+1873,MesitylOxide,98.073165,H10C6O1
+1875,methylol,30.010565,H2C1O1
+1877,Xlink:DSS[259],259.141973,H21C12N1O5
+1878,Xlink:DSSO[176],176.01433,H8C6O4S1
+1879,Xlink:DSSO[175],175.030314,H9C6N1O3S1
+1880,Xlink:DSSO[279],279.077658,H17C10N1O6S1
+1881,Xlink:DSSO[54],54.010565,H2C3O1
+1882,Xlink:DSSO[86],85.982635,H2C3O1S1
+1883,Xlink:DSSO[104],103.9932,H4C3O2S1
+1885,Xlink:BuUrBu[111],111.032028,H5C5N1O2
+1886,Xlink:BuUrBu[85],85.052764,H7C4N1O1
+1887,Xlink:BuUrBu[213],213.111341,H15C9N3O3
+1888,Xlink:BuUrBu[214],214.095357,H14C9N2O4
+1889,Xlink:BuUrBu[317],317.158686,H23C13N3O6
+1896,Xlink:DSSO[158],158.003765,H6C6O3S1
+1897,Xlink:EGS[226],226.047738,H10C10O6
+1898,Xlink:DSS[138],138.06808,H10C8O2
+1899,Xlink:BuUrBu[196],196.084792,H12C9N2O3
+1900,Xlink:DTBP[172],172.01289,H8C6N2S2
+1901,Xlink:DST[114],113.995309,H2C4O4
+1902,Xlink:DTSSP[174],173.980921,H6C6O2S2
+1903,Xlink:SMCC[219],219.089543,H13C12N1O3
+1905,Xlink:BS2G[96],96.021129,H4C5O2
+1906,Xlink:BS2G[113],113.047679,H7C5N1O2
+1907,Xlink:BS2G[114],114.031694,H6C5O3
+1908,Xlink:BS2G[217],217.095023,H15C9N1O5
+1910,Cation:Al[III],23.958063,H-3Al1
+1911,Xlink:DMP[139],139.110947,H13C7N3
+1912,Xlink:DMP[122],122.084398,H10C7N2
+1913,glyoxalAGE,21.98435,H-2C2
+1914,Met->AspSA,-32.008456,H-4C-1O1S-1
+1915,Decarboxylation,-30.010565,H-2C-1O-1
+1916,Aspartylurea,-10.031969,H-2C-1N-2O2
+1917,Formylasparagine,4.97893,H-1C-1N-1O2
+1918,Carbonyl,13.979265,H-2O1
+1920,AFB1_Dialdehyde,310.047738,H10C17O6
+1922,Pro->HAVA,18.010565,H2O1
+1923,Delta:H(-4)O(2),27.958529,H-4O2
+1924,Delta:H(-4)O(3),43.953444,H-4O3
+1925,Delta:O(4),63.979659,O4
+1926,Delta:H(4)C(3)O(2),72.021129,H4C3O2
+1927,Delta:H(4)C(5)O(1),80.026215,H4C5O1
+1928,Delta:H(10)C(8)O(1),122.073165,H10C8O1
+1929,Delta:H(6)C(7)O(4),154.026609,H6C7O4
+1970,Unknown:162,162.125595,H18C8O3
+1971,Unknown:177,176.744957,H-7O1Fe3
+1972,Unknown:210,210.16198,H22C13O2
+1973,Unknown:216,216.099774,H16C10O5
+1974,Unknown:234,234.073953,H14C9O7
+1975,Unknown:248,248.19876,H28C13O4
+1976,Unknown:250,249.981018,H4C10N1O5S1
+1977,Unknown:302,301.986514,H8C4N5O7S2
+1978,Unknown:306,306.095082,H18C12O9
+1979,Unknown:420,420.051719,H24C12N2O6S4
+1986,Diethylphosphothione,152.006087,H9C4O2P1S1
+1987,Dimethylphosphothione,123.974787,H5C2O2P1S1
+1989,monomethylphosphothione,109.959137,H3C1O2P1S1
+)UNIMODCSV",
+    R"UNIMODCSV(1990,CIGG,330.136176,H22C13N4O4S1
+1991,GNLLFLACYCIGG,1324.6308,H92C61N14O15S2
+1992,serotonylation,159.068414,H9C10N1O1
+1999,Xlink:DST[56],55.989829,C2O2
+2001,ZQG,320.100836,H16C15N2O6
+2006,Haloxon,203.950987,H7C4O3P1Cl2
+2007,Methamidophos-S,108.975121,H4C1N1O1P1S1
+2008,Methamidophos-O,92.997965,H4C1N1O2P1
+2014,Nitrene,12.995249,H-1N1
+2017,TMTpro_zero,295.189592,H25C15N3O3
+2022,Ser/Thr-KDO,220.058303,H12C8O7
+2025,Andro-H2O,332.19876,H28C20O4
+2027,His+O(2),169.048741,H7C6N3O3
+2033,Met+O(2),163.030314,H9C5N1O3S1
+2034,Gly+O(2),89.011293,H3C2N1O3
+2035,Pro+O(2),129.042593,H7C5N1O3
+2036,Lys+O(2),160.084792,H12C6N2O3
+2037,Glu+O(2),161.032422,H7C5N1O5
+2039,LTX+Lophotoxin,416.147118,H24C22O8
+2040,MBS+peptide,1482.77,H108C81N7O19
+2041,3-hydroxybenzyl-phosphate,186.008196,H7C7O4P1
+2042,phenyl-phosphate,155.997631,H5C6O3P1
+2044,RBS-ID_Uridine,244.069536,H12C9N2O6
+2052,Biotin:Aha-DADPS,922.465403,H70C42N8O11Si1S1
+2053,Biotin:Aha-PC,690.24316,H38C29N8O10S1
+2054,pRBS-ID_4-thiouridine,226.058972,H10C9N2O5
+2055,pRBS-ID_6-thioguanosine,265.081104,H11C10N5O4
+2057,6C-CysPAT,221.081695,H16C8N1O4P1
+2058,Xlink:DSPP[210],209.97181,H3C8O5P1
+2059,Xlink:DSPP[228],227.982375,H5C8O6P1
+2060,Xlink:DSPP[331],331.045704,H14C12N1O8P1
+2061,Xlink:DSPP[226],225.990534,H5C8N1O5P1
+2062,DBIA,296.184841,H24C14N4O3
+2067,Mono_Ngamma-propargyl-L-Gln_desthiobiotin,596.328211,H44C26N8O8
+2068,Di_L-Glu_Ngamma-propargyl-L-Gln_desthiobiotin,709.375889,H51C31N9O10
+2069,Di_L-Gln_Ngamma-propargyl-L-Gln_desthiobiotin,708.391873,H52C31N10O9
+2070,L-Gln,128.058578,H8C5N2O2
+2072,Glyceroyl,88.016044,H4C3O3
+2073,N6pAMP,367.06817,H14C13N5O6P1
+2074,DABCYL-C2-maleimide,391.16444,H21C21N5O3
+2079,NBF,163.001791,H1C6N3O3
+2080,DCP,168.078644,H12C9O3
+2081,Ethynyl,24.0,C2
+2082,QQTGG,471.207761,H29C18N7O8
+2083,Pyro-QQTGG,454.181212,H26C18N6O8
+2084,NQTGG,457.192111,H27C17N7O8
+2085,DVFQQQTGG,960.43011,H60C41N12O15
+2086,iST-NHS specific cysteine modification,113.084064,H11C6N1O1
+2106,DPIA,455.274384,H37C21N5O6
+2107,Acetoacetyl,84.021129,H4C4O2
+2108,Isovaleryl,84.057515,H8C5O1
+2109,2-methylbutyryl,84.057515,H8C5O1
+2110,Tiglyl,82.041865,H6C5O1
+2111,3-methylglutaryl,128.047344,H8C6O3
+2112,3-methylglutaconyl,126.031694,H6C6O3
+2113,3-hydroxy-3-methylglutaryl,144.042259,H8C6O4
+2114,Lactylation,72.021129,H4C3O2
+2115,Pyruvoyl,70.005479,H2C3O2
+2116,Glyoxylyl,55.989829,C2O2
+2117,Itaconatyl,130.026609,H6C5O4
+2118,Itaconyl,112.016044,H4C5O3
+2119,ValGly,156.089878,H12C7N2O2
+2120,Pentanoyl,84.057515,H8C5O1
+2121,Hexanoyl,98.073165,H10C6O1
+2126,2PCA-triazole-ethanethiol,216.046967,H8C10N4S1
+2127,Desthiobiotin-Phenol,331.189592,H25C18N3O3
+2128,Cys-vinyl sulfone amine probe addition,478.24612,H38C20N4O7S1
+2129,Cys->fGly-diol,0.017759,O2S-1
+2130,Cys->sulfo-fGly-dio,78.966748,H-1O5
+2131,Cys->Ser-O-sulfate,63.979659,O4
+2132,b-type-ion,-18.010565,H-2O-1
+2135,PnTAG,178.039496,H11C6O4P1
+2136,DMA-PEG3,231.147058,H21C11N1O4
+2138,HCCA-Lys,412.211056,H28C22N4O4
+2139,Phosphocholine,165.05548,H12C5N1O3P1
+2141,c-type-ion,-0.984016,H1N1O-1
+2142,x-type-ion,25.979265,H-2C1O1
+2143,z-type-ion,-17.026549,H-3N-1
+2144,Dehydromethionine,-2.01565,H-2
+2147,imidazolone,144.042259,H8C6O4
+)UNIMODCSV"
+};
+// One line, deliberately: cpplint's whitespace/indent_namespace rejects an
+// indented continuation line at namespace scope, and this file must lint
+// clean like every other header here.
+static const std::size_t kEmbeddedUnimodCsvChunkCount = sizeof(kEmbeddedUnimodCsvChunks) / sizeof(kEmbeddedUnimodCsvChunks[0]);
+
+}  // namespace IsoSpec