Molecular structure
Calculated molecular weight
Bayesian model uncalibrated predictor
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464.00068000000005 |
32.91783008707014 |
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477.84488 |
30.83255407205559 |
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501.98069999999996 |
30.61754041364006 |
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482.77858000000003 |
30.19204669367218 |
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501.98069999999996 |
30.04707236368994 |
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518.0299000000001 |
29.704675626966417 |
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635.3327800000002 |
29.67561024701616 |
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342.84096 |
29.400338764176666 |
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417.90588319999995 |
28.48880812545735 |
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407.87122 |
28.240815107393196 |
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388.88948 |
27.933000193230132 |
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454.94266319999986 |
27.889400933543836 |
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455.9570800000001 |
27.829691701354054 |
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374.8580032 |
27.821432251577903 |
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391.89006320000004 |
27.19167686247929 |
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680.1240832000004 |
27.185810490519394 |
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513.0482432 |
27.16889336613488 |
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840.9452600000008 |
27.08383559768364 |
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609.24478 |
27.044829914328634 |
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484.0318399999999 |
26.985296697219372 |
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803.3740200000003 |
26.691912812532312 |
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526.0221032000001 |
26.65635963794871 |
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515.04588 |
26.560584907060544 |
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548.0260832 |
26.46829037283699 |
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432.7381432 |
26.34141362978527 |
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987.0880000000011 |
26.175797318543758 |
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669.19078 |
26.160470902209514 |
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531.62442 |
26.119459638659777 |
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387.88158 |
25.899168746508607 |
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387.92618000000004 |
25.847326792903097 |
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312.85804 |
25.821642155559964 |
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580.0943000000003 |
25.77388522857477 |
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525.1035999999999 |
25.752703851562902 |
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639.2998000000002 |
25.743399087727294 |
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846.0246800000002 |
25.6731118736511 |
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535.0106199999998 |
25.64213315646029 |
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711.7619200000003 |
25.62115191861155 |
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474.57142319999986 |
25.55383400908632 |
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414.30618 |
25.494607870037342 |
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600.6879799999999 |
25.33288461239225 |
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500.8424191999998 |
25.293799762778246 |
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673.2423800000003 |
25.190426301272264 |
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702.8891800000004 |
25.142234489641375 |
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457.7873632 |
25.10375509697631 |
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598.1973800000002 |
25.05443871315683 |
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526.0915200000001 |
24.966813509379264 |
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674.8957000000001 |
24.93355827490186 |
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845.309923200001 |
24.843331404114533 |
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379.8825800000001 |
24.840899460908833 |
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439.53059999999994 |
24.81863482534889 |
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625.1366000000003 |
24.765759035369776 |
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455.97532320000005 |
24.738912852585713 |
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406.97258 |
24.695472532683393 |
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756.9994600000007 |
24.684507433252485 |
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538.9663896 |
24.617401424287443 |
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517.7070999999999 |
24.6004992285093 |
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535.0355199999999 |
24.589583674328356 |
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742.8521496000003 |
24.537123929732385 |
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937.2311000000007 |
24.527476965718016 |
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454.77728000000013 |
24.424329430067562 |
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517.6622799999999 |
24.411725482514374 |
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955.2276632000008 |
24.387977062564236 |
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505.0692199999998 |
24.384442732552696 |
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761.9298032000006 |
24.326496424196847 |
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767.8896200000005 |
24.300476273079692 |
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532.14092 |
24.29504743571218 |
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861.3589000000007 |
24.21899103471227 |
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769.8922600000006 |
24.191106649717984 |
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658.7638200000002 |
24.14820146372174 |
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529.0293999999999 |
24.106451323352594 |
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454.45615999999995 |
24.090456271946355 |
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628.6748600000002 |
24.062263558365938 |
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614.09236 |
24.042422043375808 |
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517.5945399999999 |
24.009402135920382 |
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546.0715063999999 |
23.97822107502463 |
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626.03686 |
23.911252560387748 |
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539.1533999999998 |
23.901970429544406 |
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597.1943200000001 |
23.90036793460458 |
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814.7560600000002 |
23.852000914090432 |
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415.89322000000004 |
23.85119662252447 |
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397.89786000000004 |
23.824799585325156 |
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516.0752399999999 |
23.781877480148 |
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464.9042400000001 |
23.761510928674408 |
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421.94086000000004 |
23.668456421866285 |
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684.8673000000006 |
23.658126174650196 |
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504.6184232 |
23.48014440054531 |
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813.8570200000007 |
23.456935398787415 |
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693.6771400000002 |
23.437620196374223 |
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879.3359600000003 |
23.339174662440282 |
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925.0616800000008 |
23.328126147145394 |
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435.9475199999998 |
23.307543490695895 |
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523.0462799999999 |
23.284648918993014 |
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649.8232600000001 |
23.28238915758752 |
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414.92838 |
23.1906747970844 |
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508.69527999999985 |
23.161609532344023 |
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521.6509800000001 |
23.14445430713132 |
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483.5385599999999 |
23.138896110552533 |
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900.6193600000009 |
23.03742269576464 |
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662.2561432000005 |
23.036678929858528 |
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994.6104632000006 |
23.008230479103506 |
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644.7438400000002 |
23.00732959871012 |
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800.8614800000004 |
23.00454095670416 |
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750.7153960000002 |
22.913062257897373 |
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694.8025200000002 |
22.90081553691729 |
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473.52206 |
22.821959920837106 |
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418.33793999999995 |
22.811564874975552 |
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544.6843199999998 |
22.780791841179973 |
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641.6935399999999 |
22.76284831416575 |
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457.8919000000001 |
22.706177362510985 |
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770.8489032000003 |
22.645850151072903 |
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715.88464 |
22.64387163374989 |
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579.7764799999999 |
22.639642680069528 |
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665.9319200000004 |
22.63478648712024 |
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382.8865200000001 |
22.583692636553877 |
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727.3095432000003 |
22.56693961920199 |
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569.1378599999999 |
22.565420094231623 |
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767.8251800000004 |
22.53789972102332 |
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506.5767399999998 |
22.534520437210002 |
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436.9704431999999 |
22.518975960328692 |
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352.88214000000005 |
22.50149715251871 |
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960.961300000001 |
22.489459869847103 |
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594.7878199999999 |
22.476925091096117 |
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417.99521999999996 |
22.465919866721695 |
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522.6374999999999 |
22.44611204842041 |
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421.9591032 |
22.43971037395522 |
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585.7148600000002 |
22.43776531647146 |
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429.48942000000005 |
22.43768204770474 |
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482.0390999999998 |
22.431731155244094 |
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370.89412 |
22.42867231863142 |
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620.6776200000003 |
22.423116247254573 |
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518.0696599999999 |
22.408411799158408 |
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690.8288200000005 |
22.39774443066387 |
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586.0988799999999 |
22.381299520509696 |
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524.6531600000001 |
22.339913549138736 |
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411.5370399999999 |
22.338897363434143 |
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616.7734999999999 |
22.320195053784477 |
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629.00744 |
22.29735879102763 |
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657.8022000000001 |
22.27737913776259 |
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955.8591400000006 |
22.274807008726746 |
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468.3966199999999 |
22.260830080654465 |
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941.1142696000007 |
22.21533484525518 |
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892.0335200000005 |
22.205186793478717 |
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354.8333600000001 |
22.200505808959353 |
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617.6689232000002 |
22.194269473953696 |
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487.57010000000014 |
22.178830822911912 |
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488.01718319999986 |
22.158356938234977 |
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595.7031064 |
22.15125108337999 |
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502.64763999999985 |
22.151244942553994 |
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664.2091832000002 |
22.129383463983533 |
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395.42356639999997 |
22.126580732152007 |
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568.77376 |
22.11731362131206 |
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771.7560800000003 |
22.10137095460502 |
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428.5477199999999 |
22.08402100134584 |
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548.6763199999999 |
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