dom-formula-assignment-data / synthetic_data /formula_combinations_100-110.csv
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Formula,Mass_Daltons
CH9OS2,100.0023
CHO2N4,100.0027
C3H3O3N,100.0041
C2H3O2N3,100.0153
C4H5O3,100.0166
CH9O3S,100.0200
CH3ON5,100.0265
C3H5O2N2,100.0279
CH9O5,100.0378
C2H5ON4,100.0391
C4H7O2N,100.0405
CH11O2SN,100.0438
C3H7ON3,100.0517
C5H9O2,100.0530
C2H13O2S,100.0564
CH11O4N,100.0616
C4H9ON2,100.0643
CH13OSN2,100.0676
C2H13O4,100.0742
C5H11ON,100.0768
C2H15OSN,100.0802
CH13O3N2,100.0854
C6H13O,100.0894
C3H17OS,100.0928
C2H15O3N,100.0980
CH15O2N3,100.1092
C3H17O3,100.1105
C2H17O2N2,100.1218
CH17ON4,100.1330
C3H19O2N,100.1344
C2H19ON3,100.1456
C4H21O2,100.1469
CH25O2S,100.1503
C3H21ON2,100.1582
CH25O4,100.1681
C4H23ON,100.1707
CH27OSN,100.1741
C5H25O,100.1833
C2H29OS,100.1867
CH27O3N,100.1919
C2H29O3,100.2044
CH29O2N2,100.2157
C2H31O2N,100.2283
CH31ON3,100.2395
C3H33O2,100.2408
C2H33ON2,100.2521
C3H35ON,100.2646
C4H37O,100.2772
CH41OS,100.2806
CH41O3,100.2983
CH43O2N,100.3222
C2H45O2,100.3347
CH45ON2,100.3460
C2H47ON,100.3585
C3H49O,100.3711
CH57O2,100.4286
CH59ON,100.4524
C2H61O,100.4650
CH73O,100.5589
C3H2O2S,100.9703
C2H2OSN2,100.9816
C3H2O4,100.9881
C3H4OSN,100.9941
C2H2O3N2,100.9993
C7H2O,101.0033
C4H6OS,101.0067
CH10OS2,101.0101
CH2O2N4,101.0106
C3H4O3N,101.0119
C2H4O2N3,101.0231
C4H6O3,101.0245
CH10O3S,101.0278
CH4ON5,101.0344
C3H6O2N2,101.0357
CH10O5,101.0456
C2H6ON4,101.0469
C4H8O2N,101.0483
CH12O2SN,101.0516
C3H8ON3,101.0595
C5H10O2,101.0609
C2H14O2S,101.0642
CH12O4N,101.0694
C4H10ON2,101.0721
CH14OSN2,101.0755
C2H14O4,101.0820
C5H12ON,101.0847
C2H16OSN,101.0880
CH14O3N2,101.0932
C6H14O,101.0972
C3H18OS,101.1006
C2H16O3N,101.1058
CH16O2N3,101.1170
C3H18O3,101.1184
C2H18O2N2,101.1296
CH18ON4,101.1408
C3H20O2N,101.1422
C2H20ON3,101.1534
C4H22O2,101.1548
CH26O2S,101.1581
C3H22ON2,101.1660
CH26O4,101.1759
C4H24ON,101.1786
CH28OSN,101.1819
C5H26O,101.1911
C2H30OS,101.1945
CH28O3N,101.1997
C2H30O3,101.2123
CH30O2N2,101.2235
C2H32O2N,101.2361
CH32ON3,101.2473
C3H34O2,101.2487
C2H34ON2,101.2599
C3H36ON,101.2725
C4H38O,101.2850
CH42OS,101.2884
CH42O3,101.3062
CH44O2N,101.3300
C2H46O2,101.3426
CH46ON2,101.3538
C2H48ON,101.3664
C3H50O,101.3789
CH58O2,101.4365
CH60ON,101.4603
C2H62O,101.4728
CH74O,101.5667
C2HO2SN,101.9656
CHOSN3,101.9768
C3H3O2S,101.9782
C2HO4N,101.9833
C2H3OSN2,101.9894
CHO3N3,101.9946
C3H3O4,101.9959
C6HON,101.9986
C3H5OSN,102.0020
C2H3O3N2,102.0071
C7H3O,102.0112
C4H7OS,102.0145
CH11OS2,102.0179
CH3O2N4,102.0184
C3H5O3N,102.0197
C2H5O2N3,102.0310
C4H7O3,102.0323
CH11O3S,102.0357
CH5ON5,102.0422
C3H7O2N2,102.0435
CH11O5,102.0534
C2H7ON4,102.0548
C4H9O2N,102.0561
CH13O2SN,102.0595
C3H9ON3,102.0673
C5H11O2,102.0687
C2H15O2S,102.0721
CH13O4N,102.0772
C4H11ON2,102.0799
CH15OSN2,102.0833
C2H15O4,102.0898
C5H13ON,102.0925
C2H17OSN,102.0959
CH15O3N2,102.1010
C6H15O,102.1051
C3H19OS,102.1084
C2H17O3N,102.1136
CH17O2N3,102.1249
C3H19O3,102.1262
C2H19O2N2,102.1374
CH19ON4,102.1487
C3H21O2N,102.1500
C2H21ON3,102.1612
C4H23O2,102.1626
CH27O2S,102.1660
C3H23ON2,102.1738
CH27O4,102.1837
C4H25ON,102.1864
CH29OSN,102.1898
C5H27O,102.1990
C2H31OS,102.2023
CH29O3N,102.2075
C2H31O3,102.2201
CH31O2N2,102.2313
C2H33O2N,102.2439
CH33ON3,102.2551
C3H35O2,102.2565
C2H35ON2,102.2677
C3H37ON,102.2803
C4H39O,102.2929
CH43OS,102.2962
CH43O3,102.3140
CH45O2N,102.3378
C2H47O2,102.3504
CH47ON2,102.3616
C2H49ON,102.3742
C3H51O,102.3868
CH59O2,102.4443
CH61ON,102.4681
C2H63O,102.4807
CH75O,102.5746
C2H2O2SN,102.9734
CH2OSN3,102.9846
C3H4O2S,102.9860
C2H2O4N,102.9912
C2H4OSN2,102.9972
CH2O3N3,103.0024
C3H4O4,103.0037
C6H2ON,103.0064
C3H6OSN,103.0098
C2H4O3N2,103.0150
C7H4O,103.0190
C4H8OS,103.0224
CH12OS2,103.0257
CH4O2N4,103.0262
C3H6O3N,103.0275
C2H6O2N3,103.0388
C4H8O3,103.0401
CH12O3S,103.0435
CH6ON5,103.0500
C3H8O2N2,103.0514
CH12O5,103.0612
C2H8ON4,103.0626
C4H10O2N,103.0639
CH14O2SN,103.0673
C3H10ON3,103.0752
C5H12O2,103.0765
C2H16O2S,103.0799
CH14O4N,103.0851
C4H12ON2,103.0877
CH16OSN2,103.0911
C2H16O4,103.0976
C5H14ON,103.1003
C2H18OSN,103.1037
CH16O3N2,103.1089
C6H16O,103.1129
C3H20OS,103.1163
C2H18O3N,103.1214
CH18O2N3,103.1327
C3H20O3,103.1340
C2H20O2N2,103.1453
CH20ON4,103.1565
C3H22O2N,103.1578
C2H22ON3,103.1691
C4H24O2,103.1704
CH28O2S,103.1738
C3H24ON2,103.1816
CH28O4,103.1915
C4H26ON,103.1942
CH30OSN,103.1976
C5H28O,103.2068
C2H32OS,103.2102
CH30O3N,103.2153
C2H32O3,103.2279
CH32O2N2,103.2392
C2H34O2N,103.2517
CH34ON3,103.2630
C3H36O2,103.2643
C2H36ON2,103.2755
C3H38ON,103.2881
C4H40O,103.3007
CH44OS,103.3041
CH44O3,103.3218
CH46O2N,103.3456
C2H48O2,103.3582
CH48ON2,103.3694
C2H50ON,103.3820
C3H52O,103.3946
CH60O2,103.4521
CH62ON,103.4759
C2H64O,103.4885
CH76O,103.5824
C2HOS2,103.9397
C2HO3S,103.9574
CHO2SN2,103.9686
C2HO5,103.9752
C2H3O2SN,103.9812
CHO4N2,103.9864
C6HO2,103.9904
CH3OSN3,103.9925
C3H5O2S,103.9938
C2H3O4N,103.9990
C5HON2,104.0017
C2H5OSN2,104.0050
CH3O3N3,104.0102
C3H5O4,104.0116
C6H3ON,104.0142
C3H7OSN,104.0176
C2H5O3N2,104.0228
C7H5O,104.0268
C4H9OS,104.0302
CH13OS2,104.0336
CH5O2N4,104.0340
C3H7O3N,104.0354
C2H7O2N3,104.0466
C4H9O3,104.0479
CH13O3S,104.0513
CH7ON5,104.0578
C3H9O2N2,104.0592
CH13O5,104.0691
C2H9ON4,104.0704
C4H11O2N,104.0718
CH15O2SN,104.0751
C3H11ON3,104.0830
C5H13O2,104.0843
C2H17O2S,104.0877
CH15O4N,104.0929
C4H13ON2,104.0956
CH17OSN2,104.0989
C2H17O4,104.1055
C5H15ON,104.1081
C2H19OSN,104.1115
CH17O3N2,104.1167
C6H17O,104.1207
C3H21OS,104.1241
C2H19O3N,104.1293
CH19O2N3,104.1405
C3H21O3,104.1418
C2H21O2N2,104.1531
CH21ON4,104.1643
C3H23O2N,104.1657
C2H23ON3,104.1769
C4H25O2,104.1782
CH29O2S,104.1816
C3H25ON2,104.1895
CH29O4,104.1994
C4H27ON,104.2020
CH31OSN,104.2054
C5H29O,104.2146
C2H33OS,104.2180
CH31O3N,104.2232
C2H33O3,104.2357
CH33O2N2,104.2470
C2H35O2N,104.2596
CH35ON3,104.2708
C3H37O2,104.2721
C2H37ON2,104.2834
C3H39ON,104.2959
C4H41O,104.3085
CH45OS,104.3119
CH45O3,104.3296
CH47O2N,104.3535
C2H49O2,104.3660
CH49ON2,104.3773
C2H51ON,104.3898
C3H53O,104.4024
CH61O2,104.4599
CH63ON,104.4837
C2H65O,104.4963
CH77O,104.5902
C2H2OS2,104.9475
C2H2O3S,104.9652
CH2O2SN2,104.9765
C2H2O5,104.9830
C2H4O2SN,104.9890
CH2O4N2,104.9942
C6H2O2,104.9983
CH4OSN3,105.0003
C3H6O2S,105.0016
C2H4O4N,105.0068
C5H2ON2,105.0095
C2H6OSN2,105.0129
CH4O3N3,105.0180
C3H6O4,105.0194
C6H4ON,105.0221
C3H8OSN,105.0254
C2H6O3N2,105.0306
C7H6O,105.0346
C4H10OS,105.0380
CH14OS2,105.0414
CH6O2N4,105.0419
C3H8O3N,105.0432
C2H8O2N3,105.0544
C4H10O3,105.0558
CH14O3S,105.0591
CH8ON5,105.0657
C3H10O2N2,105.0670
CH14O5,105.0769
C2H10ON4,105.0782
C4H12O2N,105.0796
CH16O2SN,105.0829
C3H12ON3,105.0908
C5H14O2,105.0922
C2H18O2S,105.0955
CH16O4N,105.1007
C4H14ON2,105.1034
CH18OSN2,105.1068
C2H18O4,105.1133
C5H16ON,105.1160
C2H20OSN,105.1193
CH18O3N2,105.1245
C6H18O,105.1285
C3H22OS,105.1319
C2H20O3N,105.1371
CH20O2N3,105.1483
C3H22O3,105.1497
C2H22O2N2,105.1609
CH22ON4,105.1721
C3H24O2N,105.1735
C2H24ON3,105.1847
C4H26O2,105.1861
CH30O2S,105.1894
C3H26ON2,105.1973
CH30O4,105.2072
C4H28ON,105.2099
CH32OSN,105.2132
C5H30O,105.2224
C2H34OS,105.2258
CH32O3N,105.2310
C2H34O3,105.2436
CH34O2N2,105.2548
C2H36O2N,105.2674
CH36ON3,105.2786
C3H38O2,105.2800
C2H38ON2,105.2912
C3H40ON,105.3038
C4H42O,105.3163
CH46OS,105.3197
CH46O3,105.3375
CH48O2N,105.3613
C2H50O2,105.3739
CH50ON2,105.3851
C2H52ON,105.3977
C3H54O,105.4102
CH62O2,105.4678
CH64ON,105.4916
C2H66O,105.5041
CH78O,105.5980
CHOS2N,105.9427
C2H3OS2,105.9553
CHO3SN,105.9605
C2H3O3S,105.9731
CHO5N,105.9782
CH3O2SN2,105.9843
C2H3O5,105.9908
C5HO2N,105.9935
C2H5O2SN,105.9969
CH3O4N2,106.0021
C4HON3,106.0047
C6H3O2,106.0061
CH5OSN3,106.0081
C3H7O2S,106.0095
C2H5O4N,106.0146
C5H3ON2,106.0173
C2H7OSN2,106.0207
CH5O3N3,106.0259
C3H7O4,106.0272
C6H5ON,106.0299
C3H9OSN,106.0333
C2H7O3N2,106.0384
C7H7O,106.0425
C4H11OS,106.0458
CH15OS2,106.0492
CH7O2N4,106.0497
C3H9O3N,106.0510
C2H9O2N3,106.0623
C4H11O3,106.0636
CH15O3S,106.0670
CH9ON5,106.0735
C3H11O2N2,106.0748
CH15O5,106.0847
C2H11ON4,106.0861
C4H13O2N,106.0874
CH17O2SN,106.0908
C3H13ON3,106.0986
C5H15O2,106.1000
C2H19O2S,106.1034
CH17O4N,106.1085
C4H15ON2,106.1112
CH19OSN2,106.1146
C2H19O4,106.1211
C5H17ON,106.1238
C2H21OSN,106.1272
CH19O3N2,106.1323
C6H19O,106.1364
C3H23OS,106.1397
C2H21O3N,106.1449
CH21O2N3,106.1562
C3H23O3,106.1575
C2H23O2N2,106.1687
CH23ON4,106.1800
C3H25O2N,106.1813
C2H25ON3,106.1925
C4H27O2,106.1939
CH31O2S,106.1973
C3H27ON2,106.2051
CH31O4,106.2150
C4H29ON,106.2177
CH33OSN,106.2211
C5H31O,106.2303
C2H35OS,106.2336
CH33O3N,106.2388
C2H35O3,106.2514
CH35O2N2,106.2626
C2H37O2N,106.2752
CH37ON3,106.2864
C3H39O2,106.2878
C2H39ON2,106.2990
C3H41ON,106.3116
C4H43O,106.3242
CH47OS,106.3275
CH47O3,106.3453
CH49O2N,106.3691
C2H51O2,106.3817
CH51ON2,106.3929
C2H53ON,106.4055
C3H55O,106.4181
CH63O2,106.4756
CH65ON,106.4994
C2H67O,106.5120
CH79O,106.6059
CH2OS2N,106.9506
C2H4OS2,106.9631
CH2O3SN,106.9683
C2H4O3S,106.9809
CH2O5N,106.9861
CH4O2SN2,106.9921
C2H4O5,106.9986
C5H2O2N,107.0013
C2H6O2SN,107.0047
CH4O4N2,107.0099
C4H2ON3,107.0126
C6H4O2,107.0139
CH6OSN3,107.0159
C3H8O2S,107.0173
C2H6O4N,107.0225
C5H4ON2,107.0251
C2H8OSN2,107.0285
CH6O3N3,107.0337
C3H8O4,107.0350
C6H6ON,107.0377
C3H10OSN,107.0411
C2H8O3N2,107.0463
C7H8O,107.0503
C4H12OS,107.0537
CH16OS2,107.0570
CH8O2N4,107.0575
C3H10O3N,107.0588
C2H10O2N3,107.0701
C4H12O3,107.0714
CH16O3S,107.0748
CH10ON5,107.0813
C3H12O2N2,107.0827
CH16O5,107.0925
C2H12ON4,107.0939
C4H14O2N,107.0952
CH18O2SN,107.0986
C3H14ON3,107.1065
C5H16O2,107.1078
C2H20O2S,107.1112
CH18O4N,107.1164
C4H16ON2,107.1190
CH20OSN2,107.1224
C2H20O4,107.1289
C5H18ON,107.1316
C2H22OSN,107.1350
CH20O3N2,107.1402
C6H20O,107.1442
C3H24OS,107.1476
C2H22O3N,107.1527
CH22O2N3,107.1640
C3H24O3,107.1653
C2H24O2N2,107.1766
CH24ON4,107.1878
C3H26O2N,107.1891
C2H26ON3,107.2004
C4H28O2,107.2017
CH32O2S,107.2051
C3H28ON2,107.2129
CH32O4,107.2228
C4H30ON,107.2255
CH34OSN,107.2289
C5H32O,107.2381
C2H36OS,107.2415
CH34O3N,107.2466
C2H36O3,107.2592
CH36O2N2,107.2705
C2H38O2N,107.2830
CH38ON3,107.2943
C3H40O2,107.2956
C2H40ON2,107.3068
C3H42ON,107.3194
C4H44O,107.3320
CH48OS,107.3354
CH48O3,107.3531
CH50O2N,107.3769
C2H52O2,107.3895
CH52ON2,107.4007
C2H54ON,107.4133
C3H56O,107.4259
CH64O2,107.4834
CH66ON,107.5072
C2H68O,107.5198
CH80O,107.6137
CHO2S2,107.9346
CHO4S,107.9523
CH3OS2N,107.9584
C5HOS,107.9676
CHO6,107.9701
C2H5OS2,107.9710
CH3O3SN,107.9761
C5HO3,107.9853
C2H5O3S,107.9887
CH3O5N,107.9939
C4HO2N2,107.9966
CH5O2SN2,107.9999
C2H5O5,108.0065
C3HON4,108.0078
C5H3O2N,108.0092
C2H7O2SN,108.0125
CH5O4N2,108.0177
C4H3ON3,108.0204
C6H5O2,108.0217
CH7OSN3,108.0238
C3H9O2S,108.0251
C2H7O4N,108.0303
C5H5ON2,108.0330
C2H9OSN2,108.0363
CH7O3N3,108.0415
C3H9O4,108.0429
C6H7ON,108.0455
C3H11OSN,108.0489
C2H9O3N2,108.0541
C7H9O,108.0581
C4H13OS,108.0615
CH17OS2,108.0649
CH9O2N4,108.0653
C3H11O3N,108.0667
C2H11O2N3,108.0779
C4H13O3,108.0792
CH17O3S,108.0826
CH11ON5,108.0891
C3H13O2N2,108.0905
CH17O5,108.1004
C2H13ON4,108.1017
C4H15O2N,108.1031
CH19O2SN,108.1064
C3H15ON3,108.1143
C5H17O2,108.1156
C2H21O2S,108.1190
CH19O4N,108.1242
C4H17ON2,108.1269
CH21OSN2,108.1302
C2H21O4,108.1368
C5H19ON,108.1394
C2H23OSN,108.1428
CH21O3N2,108.1480
C6H21O,108.1520
C3H25OS,108.1554
C2H23O3N,108.1606
CH23O2N3,108.1718
C3H25O3,108.1731
C2H25O2N2,108.1844
CH25ON4,108.1956
C3H27O2N,108.1970
C2H27ON3,108.2082
C4H29O2,108.2095
CH33O2S,108.2129
C3H29ON2,108.2208
CH33O4,108.2307
C4H31ON,108.2333
CH35OSN,108.2367
C5H33O,108.2459
C2H37OS,108.2493
CH35O3N,108.2545
C2H37O3,108.2670
CH37O2N2,108.2783
C2H39O2N,108.2909
CH39ON3,108.3021
C3H41O2,108.3034
C2H41ON2,108.3147
C3H43ON,108.3272
C4H45O,108.3398
CH49OS,108.3432
CH49O3,108.3609
CH51O2N,108.3848
C2H53O2,108.3973
CH53ON2,108.4086
C2H55ON,108.4211
C3H57O,108.4337
CH65O2,108.4912
CH67ON,108.5150
C2H69O,108.5276
CH81O,108.6215
CH2O2S2,108.9424
CH2O4S,108.9602
CH4OS2N,108.9662
C5H2OS,108.9754
CH2O6,108.9779
C2H6OS2,108.9788
CH4O3SN,108.9840
C5H2O3,108.9932
C2H6O3S,108.9965
CH4O5N,109.0017
C4H2O2N2,109.0044
CH6O2SN2,109.0078
C2H6O5,109.0143
C3H2ON4,109.0156
C5H4O2N,109.0170
C2H8O2SN,109.0203
CH6O4N2,109.0255
C4H4ON3,109.0282
C6H6O2,109.0296
CH8OSN3,109.0316
C3H10O2S,109.0329
C2H8O4N,109.0381
C5H6ON2,109.0408
C2H10OSN2,109.0442
CH8O3N3,109.0493
C3H10O4,109.0507
C6H8ON,109.0534
C3H12OSN,109.0567
C2H10O3N2,109.0619
C7H10O,109.0659
C4H14OS,109.0693
CH18OS2,109.0727
CH10O2N4,109.0732
C3H12O3N,109.0745
C2H12O2N3,109.0857
C4H14O3,109.0871
CH18O3S,109.0904
CH12ON5,109.0970
C3H14O2N2,109.0983
CH18O5,109.1082
C2H14ON4,109.1095
C4H16O2N,109.1109
CH20O2SN,109.1143
C3H16ON3,109.1221
C5H18O2,109.1235
C2H22O2S,109.1268
CH20O4N,109.1320
C4H18ON2,109.1347
CH22OSN2,109.1381
C2H22O4,109.1446
C5H20ON,109.1473
C2H24OSN,109.1506
CH22O3N2,109.1558
C6H22O,109.1598
C3H26OS,109.1632
C2H24O3N,109.1684
CH24O2N3,109.1796
C3H26O3,109.1810
C2H26O2N2,109.1922
CH26ON4,109.2034
C3H28O2N,109.2048
C2H28ON3,109.2160
C4H30O2,109.2174
CH34O2S,109.2207
C3H30ON2,109.2286
CH34O4,109.2385
C4H32ON,109.2412
CH36OSN,109.2445
C5H34O,109.2537
C2H38OS,109.2571
CH36O3N,109.2623
C2H38O3,109.2749
CH38O2N2,109.2861
C2H40O2N,109.2987
CH40ON3,109.3099
C3H42O2,109.3113
C2H42ON2,109.3225
C3H44ON,109.3351
C4H46O,109.3476
CH50OS,109.3510
CH50O3,109.3688
CH52O2N,109.3926
C2H54O2,109.4052
CH54ON2,109.4164
C2H56ON,109.4290
C3H58O,109.4415
CH66O2,109.4991
CH68ON,109.5229
C2H70O,109.5354
CH82O,109.6293
CH3O2S2,109.9502
CH3O4S,109.9680
C4HOSN,109.9707
CH5OS2N,109.9740
C5H3OS,109.9832
CH3O6,109.9857
C2H7OS2,109.9866
C4HO3N,109.9884
CH5O3SN,109.9918
C3HO2N3,109.9997