# Number of Dimensions
283
# Number of Examples
200
# Number of Instances of molecule (0)
5
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# Label of molecule (0)
1.000000
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5.910001
8.212683
9.179022
5.767418
7.081179
5.872158
8.253822
8.081698
7.189825
6.581408
6.817255
6.376812
9.138615
8.630055
6.400983
7.059816
5.827479
5.776818
7.172979
9.327342
7.806299
5.552812
6.133030
6.650868
6.479476
7.023804
8.549242
7.662740
7.744407
7.389782
6.512436
8.811823
8.930479
8.794855
8.482955
9.171087
5.920866
6.723380
5.703085
7.766625
7.327647
7.356700
7.354259
5.805506
6.596301
7.266488
6.328959
6.178198
8.915830
6.817743
7.496231
8.606983
7.807886
6.659291
8.334147
8.820612
8.271157
6.674184
7.803735
8.125156
7.354381
8.766167
9.341624
5.750084
9.035585
6.857540
5.842738
8.341350
8.279702
5.472365
8.513108
8.978332
9.151555
6.281228
7.460707
6.089572
7.858180
7.981231
5.908292
6.642323
5.596026
6.887326
7.894559
7.979034
6.078219
# Label of molecule (1)
0.919782
# Number of Instances of molecule (2)
4
10.580483
9.039805
9.539010
10.497114
12.591533
9.100944
11.237423
9.351101
10.429455
8.663241
8.559455
9.960342
9.475178
9.877740
12.713315
10.475545
11.781875
11.084433
11.534227
11.595470
11.714850
8.958581
10.923715
9.559436
9.770573
12.368976
10.551398
9.907739
10.776757
11.808766
12.533965
12.227681
12.119293
11.132440
11.742671
10.910748
10.041442
9.915612
9.016262
11.871891
10.169706
10.361412
12.642095
8.671131
9.195213
12.518561
11.661173
10.160954
11.767349
11.622373
12.407166
8.267138
9.730213
11.427553
9.334099
10.802111
8.448131
12.595873
9.571121
8.531432
10.237613
12.402812
10.817831
8.714014
10.765734
9.457027
10.467893
9.297422
10.266880
9.917750
12.026082
10.276524
9.742830
9.874412
8.418900
9.002451
10.585759
11.245923
8.625938
10.140212
11.729661
9.310722
9.768437
9.123953
9.430311
9.677192
12.002839
8.500225
11.217298
9.931060
11.321906
11.362607
12.388143
9.260733
12.103793
12.440022
11.701787
10.219386
11.213132
11.652793
9.082461
9.418510
8.902944
12.152139
11.672263
9.171332
8.958641
9.563686
11.710156
9.113157
10.622965
11.437977
9.259976
12.586316
9.366589
10.244897
11.635157
12.184114
12.186423
12.533007
10.042604
10.062106
8.821041
10.327278
9.395814
12.461805
11.109222
10.811354
9.387540
10.209224
11.831102
8.554965
10.466122
8.962005
9.449091
12.582524
10.942518
12.521717
10.282737
11.695622
11.476054
9.951914
10.289044
10.476188
8.674491
10.726630
9.676430
8.958194
11.714595
11.531627
10.101172
11.423029
8.629297
12.378873
10.820535
11.510620
10.675868
11.219183
11.582780
8.994475
9.695462
9.456024
11.369826
9.406914
10.605503
9.978879
9.725744
10.256009
10.798326
10.416479
10.813600
10.159415
8.939133
9.382199
8.522770
12.697443
8.847896
9.787430
10.978716
9.828326
10.562897
9.733367
10.852850
10.260268
9.076526
11.053381
8.966932
10.600685
9.399819
12.214520
12.000849
11.981787
12.207781
10.889056
10.747259
9.129542
10.978671
11.231670
9.368848
8.804660
11.968498
9.122953
10.245099
9.769818
11.914841
8.880862
9.270265
9.097123
10.371875
9.878311
10.403644
10.442628
9.899614
10.583195
8.908848
10.517557
11.081413
11.588199
10.631600
9.892347
11.843441
10.741651
9.321975
11.079917
10.840919
11.848432
12.080977
12.171659
8.524439
11.761007
12.190274
11.034992
8.887047
9.664473
8.847257
9.651357
11.939785
10.489031
8.527799
9.234476
7.322381
9.152526
8.695050
9.251623
8.944472
7.428628
9.167358
7.068159
5.706206
6.969292
7.571788
5.432973
8.115667
8.120983
6.812902
10.986704
7.723050
9.689594
8.324460
6.131749
6.640026
9.261336
9.718874
7.457266
6.834568
9.763667
9.765784
8.610615
8.783900
8.714726
6.963448
7.943883
7.218094
10.912307
6.776528
9.181250
9.025511
8.352485
7.356848
6.023432
10.319389
6.316878
8.822657
8.253792
5.449141
5.598437
6.354930
7.804926
6.745201
7.609729
5.606738
5.905332
5.213050
7.062471
5.944639
6.164251
7.882321
8.489029
8.182745
5.910092
7.865963
6.159734
6.445753
6.609577
7.328959
5.873959
8.586932
7.623646
8.073122
9.024079
8.409680
6.672811
5.615162
5.307169
8.569720
8.391003
8.631855
6.462355
7.031587
8.336802
7.645985
7.403180
5.954772
5.844050
6.831507
7.126926
7.885250
9.081576
6.809656
7.769890
6.124577
5.698294
8.312265
8.187262
6.157048
6.431837
8.588031
6.430982
9.003449
7.049532
8.424818
7.501572
5.380779
8.003784
5.665456
6.747398
7.542711
9.170690
9.089755
5.288858
7.671865
7.051485
8.538591
7.839595
5.705008
7.808832
7.156468
7.301370
7.461165
7.514267
7.624989
6.508744
7.948851
8.982208
6.263619
5.495285
8.730125
6.563311
6.873501
8.659688
8.212165
8.276498
8.197516
8.203742
5.744804
6.648640
8.872829
6.221259
6.397534
7.642811
7.751335
7.807855
7.290628
9.045930
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7.570177
8.356578
5.693167
7.085543
5.909116
8.405896
8.903348
7.835322
5.450728
5.373211
5.498703
5.586352
8.001221
5.616993
7.788568
6.161077
6.398755
9.149815
7.885495
5.225867
7.641469
7.672597
7.735588
8.681539
5.661550
6.289621
6.232002
7.420515
8.123539
5.777398
6.791589
6.326365
7.621326
8.283090
6.765831
5.390912
5.648244
7.327860
8.063845
8.822413
7.716178
8.990631
6.360546
8.021729
5.996521
9.145054
6.266427
6.301462
7.862300
5.627613
7.832636
7.220191
6.700522
6.209662
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7.249245
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8.776025
8.715476
7.897092
8.135258
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7.394391
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7.670156
6.720298
5.592212
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7.186377
7.843013
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8.268563
8.054933
9.185827
6.148625
8.516129
5.531297
7.019990
7.639027
6.332347
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7.765252
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5.277261
6.622028
7.255593
8.046510
8.181402
8.336192
6.371410
8.438246
7.289041
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6.913663
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7.833003
6.424879
5.595996
9.189245
5.912168
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6.028871
6.571978
7.550035
8.443983
6.569781
7.499374
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8.492325
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6.692953
6.825526
7.440291
6.320994
9.100131
5.671316
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8.284799
6.731407
6.866665
7.575671
8.635517
6.521073
6.468093
5.878231
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7.586901
6.579302
6.423292
6.415601
8.262337
7.166234
6.954192
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6.052797
6.765099
7.540025
5.465621
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8.469131
8.362926
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8.222541
8.087283
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9.186560
6.442579
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6.381542
5.872005
6.568804
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6.846034
7.104831
6.684042
8.847072
8.434339
7.451521
7.009857
5.581103
8.855373
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7.537339
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6.835292
6.014344
8.025880
6.362621
7.798090
6.247993
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5.988586
6.312037
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6.023331
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6.384548
8.312098
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6.364772
8.614841
5.768807
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4.993637
8.786233
8.109455
7.731758
8.791604
6.842448
6.551790
6.864299
7.032517
5.576785
8.544771
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5.328486
7.659001
5.716071
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8.836161
6.131489
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8.762673
7.470885
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8.206259
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6.465484
6.907758
8.452239
8.836772
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6.082781
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8.695288
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6.301050
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7.239433
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6.978927
7.020676
5.653813
7.131397
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6.341823
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8.182821
7.001022
5.684088
6.406522
6.615757
6.470244
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8.715796
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5.751228
5.373287
6.423978
8.406705
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7.653630
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5.919324
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6.249168
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7.598453
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5.192251
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7.308161
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4.979843
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7.228446
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6.813272
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6.774331
8.531587
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7.805002
5.463134
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5.558962
7.019578
6.008438
7.043382
7.856151
8.117756
8.278283
7.048875
7.119556
8.862896
7.210379
8.593234
5.588504
5.990982
7.149098
5.602054
8.078448
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7.206595
6.505402
6.619419
7.864574
8.022050
8.248375
7.930616
5.159536
8.294031
7.607364
7.104907
8.787332
5.462157
8.686010
8.879986
6.862712
8.911603
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7.870312
8.025956
8.075396
8.281091
5.135243
6.588534
7.811960
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8.457732
8.175130
5.429319
6.551424
5.708136
5.729865
5.733894
5.301874
6.671789
5.766488
8.476775
7.151173
6.708777
6.734413
8.574068
8.211142
7.627750
5.378048
7.475768
7.354671
5.143544
4.962996
8.058061
6.702673
6.297510
5.243645
7.413144
7.041795
6.211814
8.049516
7.913648
7.046678
7.556948
6.362087
8.925153
5.181509
8.102618
6.760170
7.541566
5.156972
7.732368
5.106555
6.719886
7.816477
8.291467
5.352779
7.187674
6.326319
5.647710
5.334590
5.499145
7.547426
7.337458
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6.615146
8.459807
7.171804
5.996719
5.380612
6.517731
5.052248
8.585803
7.040101
8.022187
8.594836
6.673635
8.712516
8.700919
7.759728
5.986358
5.298593
5.823878
4.803583
8.644398
6.972961
5.813013
7.859218
6.587329
7.006409
8.064669
7.678549
7.882900
5.599750
6.050569
7.900967
5.088870
5.678365
8.161840
7.217597
8.546373
6.022370
8.168432
5.811548
5.475967
7.108219
5.172613
6.444014
7.755943
7.035463
6.928770
6.566088
5.252449
6.915464
8.404523
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7.359813
7.175604
5.592059
5.522843
5.206915
6.526902
8.115818
7.119327
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6.490402
5.049318
6.162145
5.210944
6.512131
4.767449
4.845088
8.478256
5.664327
6.665212
5.033937
6.181433
7.359813
7.272530
6.023591
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8.621082
6.830500
8.537339
6.593921
4.778680
5.702170
6.844172
6.163854
6.475387
5.996124
4.867183
6.980407
7.848231
7.773888
6.159948
7.820887
6.767266
7.220038
5.624531
5.350719
8.002655
6.147618
4.847041
7.937956
6.196448
8.214087
6.925596
6.114780
7.515458
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8.664174
8.064302
6.856746
6.890316
6.010651
6.504196
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6.610889
5.344493
7.970183
8.409162
5.354381
8.494247
7.314646
7.061342
4.788690
7.190130
5.121708
5.724509
8.274636
8.225562
7.704306
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7.759362
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4.993408
5.632466
6.041536
6.926450
5.128178
6.063021
7.404004
8.090182
7.599200
8.316752
8.487655
7.334544
5.822535
6.320963
7.283395
6.350017
8.018403
8.396344
6.116489
7.618244
7.268868
5.840358
6.496872
7.429884
5.630879
5.471938
7.712851
4.799310
7.178777
7.511917
7.041566
6.654714
4.851192
8.173681
5.451308
7.674276
7.978362
8.341044
8.671987
5.147954
7.363109
7.706381
7.506058
7.236518
4.792352
5.744652
7.259102
7.003601
7.853359
4.898190
6.160070
8.597888
4.928587
5.348399
8.650624
5.957060
5.246834
6.746757
5.414808
8.410993
6.862484
6.283242
6.028840
5.558123
5.440565
8.465316
8.099338
5.790674
6.721122
7.982269
4.771477
4.842524
7.538041
5.030885
6.479293
6.736381
8.267922
6.477584
6.810480
5.503433
5.583514
8.230445
8.367290
6.053133
8.386944
8.197851
6.490890
8.563829
5.796899
5.207770
6.731254
6.774346
6.067049
5.263680
5.931181
8.547838
7.307443
6.510544
4.804682
5.083499
6.886776
8.286477
5.881741
5.153203
6.388714
7.637043
8.695303
4.735466
6.998108
8.663564
8.085055
8.423078
8.192358
8.083224
7.494583
4.979003
8.611316
6.375652
5.134281
5.417005
5.983062
7.889370
4.887570
5.978423
6.978942
7.284494
5.833522
8.384259
7.872768
5.687155
6.261879
7.735191
4.880612
5.928617
8.056246
8.434553
7.054750
6.246376
5.317026
6.510300
6.607105
5.820582
7.105167
6.710257
7.538163
5.521867
6.174108
4.745720
7.444655
5.244392
7.571978
7.058657
5.382580
5.200568
# Label of molecule (2)
0.922333
# Number of Instances of molecule (3)
3
10.369638
9.023197
9.646754
10.708073
12.604739
8.980958
11.380803
9.153597
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10.075723
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11.778551
12.454440
8.471377
11.666684
12.051037
10.821018
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8.427702
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7.005783
7.010178
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6.498199
4.917829
# Label of molecule (3)
0.907329
# Number of Instances of molecule (4)
5
10.445614
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9.606614
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5.565569
5.802393
# Label of molecule (4)
0.909788
# Number of Instances of molecule (5)
4
10.667472
9.137446
9.468635
10.713276
12.520057
9.043787
11.196839
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10.568867
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11.149323
11.379725
9.469808
8.714389
11.780632
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7.889996
6.261650
5.825968
5.925581
# Label of molecule (5)
0.919642
# Number of Instances of molecule (6)
5
10.439881
8.893787
9.521534
10.552907
12.539119
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# Label of molecule (6)
0.904369
# Number of Instances of molecule (7)
3
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9.166128
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6.628574
7.316462
7.578310
5.780404
# Label of molecule (7)
0.910120
# Number of Instances of molecule (8)
3
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6.726753
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4.863659
7.222861
8.048570
6.863720
8.350703
6.434629
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6.991165
6.044725
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8.762185
5.571291
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7.712958
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6.010636
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7.070238
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8.885357
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6.273217
5.572146
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6.620273
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6.064104
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8.035112
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6.349025
6.976608
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6.089373
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6.289453
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6.709754
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5.376827
8.812113
8.549654
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5.747688
8.893048
7.061205
6.077044
5.410520
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8.740699
6.252953
7.235527
7.263848
9.095325
5.806528
5.294427
5.536744
6.324610
5.665654
7.587222
8.288903
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7.537538
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6.226218
6.325343
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6.486847
7.713813
7.698431
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5.985611
8.128132
7.612247
8.290979
6.603183
7.044725
7.779000
8.570650
# Label of molecule (8)
0.904268
# Number of Instances of molecule (9)
4
10.407916
8.927003
9.704515
10.610894
12.418048
9.002171
11.190016
9.360256
10.578354
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6.250908
7.458342
7.493011
7.920881
8.329951
# Label of molecule (9)
0.908629
# Number of Instances of molecule (10)
4
10.633267
8.903478
9.530140
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7.073901
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6.058000
8.548433
6.153829
7.545228
6.180319
8.803079
6.365261
5.782723
6.107196
8.941389
7.526795
8.968612
7.949171
8.712134
8.479217
5.067614
8.293786
6.352077
8.673559
8.108356
6.633091
8.406705
8.781350
6.013810
7.252617
6.790811
8.704443
8.863018
7.954054
8.969222
7.357356
6.456694
6.991379
5.126453
6.598788
6.063616
5.591800
6.207541
7.685492
7.219657
5.437254
8.696509
6.626255
8.459075
6.482452
8.015702
8.807596
6.847942
8.483612
8.415494
5.268914
5.199820
5.613407
7.231864
7.001144
7.843699
5.536744
5.385495
7.643254
7.822947
6.321924
5.998795
6.951949
6.399442
6.563509
5.004868
5.421628
7.735786
6.090838
7.622990
6.424955
5.633549
8.637425
6.577670
8.254723
5.200674
7.846019
7.933424
6.436674
8.323939
7.985549
8.423063
8.693091
5.819712
8.752907
6.141621
6.927046
5.142079
5.536134
8.484710
8.608615
8.518159
6.513825
7.200980
7.931104
6.388699
5.964736
8.440275
7.117603
5.029527
7.164480
7.665716
8.250938
5.226554
6.241478
5.310419
6.001114
6.880291
6.370876
5.050401
5.627567
8.416105
5.677496
6.569002
8.628391
7.873241
8.226279
6.689978
6.413358
6.548982
5.472411
8.751442
8.377041
6.072405
5.548219
6.097919
8.742775
7.782907
5.760750
7.564394
6.556673
5.287835
5.675054
6.826701
7.205008
7.075854
8.159017
7.495666
7.829417
8.059282
5.763070
5.826670
7.015915
6.920576
7.812449
6.923017
5.132435
8.140706
# Label of molecule (10)
0.782166
# Number of Instances of molecule (11)
3
10.624397
9.023415
9.626570
10.674822
12.472609
9.085943
11.419597
9.155192
10.284933
8.871950
8.656628
10.117321
9.487411
9.803149
12.542698
10.710064
11.781782
11.042107
11.578523
11.596176
11.947581
8.906836
11.037594
9.587004
9.661362
12.202800
10.662440
9.889121
10.980784
11.647005
12.241613
12.226640
11.927855
11.228068
11.607222
10.787878
9.990046
9.806411
9.023698
12.020426
9.956990
10.393138
12.406663
8.870648
9.222382
12.623307
11.635718
10.066826
11.760324
11.793954
12.228204
8.257659
9.817843
11.214313
9.474473
10.499344
8.425631
12.349751
9.764222
8.327006
9.860055
12.218257
10.902952
8.803373
10.713045
9.489668
10.643795
9.108970
10.411748
10.057485
11.809658
9.877665
9.757167
9.756313
8.453574
8.809734
10.272737
11.248617
8.476760
9.672262
11.759399
9.491897
9.720861
9.489514
9.754930
9.562078
12.128797
8.174132
10.898506
10.098997
10.998313
11.544187
12.649609
9.502612
12.064176
12.598669
11.337124
10.072959
11.264774
11.906182
8.755143
9.486349
8.833545
11.754184
11.800642
9.209576
8.782947
9.600890
11.652492
9.093816
10.817801
11.132713
9.324540
12.502803
9.385427
10.189721
11.414204
12.114243
11.897193
12.252113
9.844075
9.949248
8.695968
10.503718
9.158795
12.181268
10.964067
10.626621
9.283664
10.320130
11.833032
8.587077
10.555155
8.831896
9.345128
12.490945
10.634371
12.598083
10.393369
11.440713
11.758550
9.991557
10.488220
10.257773
8.891126
11.050903
9.502040
8.801737
11.907469
11.542292
10.323490
11.226599
8.792704
12.212517
10.544395
11.208898
10.704596
10.983665
11.526039
9.281582
9.476239
9.673458
10.998158
9.251912
10.742529
10.232271
9.310904
10.237771
10.529491
10.541724
10.799576
9.907272
8.836216
9.109985
8.349197
12.633903
8.543282
9.950259
11.044186
9.928131
10.739754
10.057691
10.951763
10.079328
8.856414
11.173823
8.876600
10.704348
9.603615
12.325750
11.583203
12.253400
11.801655
10.873538
10.294593
9.192860
11.048997
10.954437
9.288958
8.786427
11.827201
8.948740
10.283305
9.702697
11.950740
8.565699
9.311320
9.154906
10.554476
9.797161
10.314707
10.466636
10.015105
10.690880
8.853532
10.575398
10.932535
11.730935
10.679513
9.533310
12.016606
10.835325
9.333822
10.855170
10.592179
11.660705
12.060393
9.229402
8.735697
9.108540
9.893213
9.783296
9.010026
7.415212
6.914971
9.775021
9.429597
9.376016
7.832731
6.811655
7.971766
8.977071
7.856187
6.848069
8.013782
7.357888
10.835111
7.899369
7.271306
6.264738
7.629840
5.547826
7.615404
8.993236
8.868555
10.525516
8.181016
9.952835
8.535135
5.990130
8.663416
10.977562
9.041063
10.116943
5.143498
10.590165
9.289655
9.399541
6.682453
6.490209
5.381801
6.806230
6.192562
11.216829
7.574216
10.778741
9.723193
7.613439
6.935073
5.631882
10.194526
9.127330
8.744540
6.971725
8.789651
5.276849
8.985580
7.318659
8.202841
5.214713
7.843577
7.498596
7.911084
6.457060
7.533021
7.005661
5.383175
6.436430
6.010392
6.709143
6.703162
8.229942
8.324427
5.773202
6.037736
8.849834
7.533265
5.912000
8.722022
5.807382
5.426634
6.356349
5.837168
8.325648
7.928175
6.905683
6.155416
5.574587
8.050859
6.441069
5.326777
6.306421
7.284478
6.274926
6.183370
6.262108
8.286096
5.710700
6.035661
5.728278
5.750130
7.188528
8.836650
5.617069
8.334681
6.392972
6.086444
8.443327
6.515168
8.695288
8.356532
8.576266
7.245659
7.307184
7.304010
6.140156
6.296655
8.521210
6.054216
8.936750
7.150197
7.410581
5.825327
8.767556
5.322871
7.366512
6.670080
8.528657
6.994919
6.845500
6.209128
6.454863
8.817728
6.702673
6.232933
5.886486
7.776803
5.486328
7.044481
8.934919
7.984817
8.068560
7.419736
6.421415
5.277703
6.986129
6.060564
6.464873
8.492523
5.868053
6.414579
6.092669
6.298242
8.323817
8.736671
8.249351
6.457793
5.666753
7.268487
8.580050
8.392911
6.850505
8.410245
6.361110
7.930616
7.988601
7.758370
7.955153
7.103198
8.837260
5.887219
5.163442
7.878491
5.612796
8.746681
8.853618
6.693640
7.521058
8.551607
8.232627
8.670873
6.371242
7.040452
8.146931
6.384793
6.652257
8.973861
6.778359
6.063128
5.444212
7.751289
6.114399
6.088275
5.541139
7.020798
5.567141
6.681799
7.158864
8.154256
7.114917
7.641057
5.604984
7.465636
6.343165
9.007797
8.284509
5.047105
5.758553
7.539613
6.414945
5.096057
8.750832
7.861766
6.830363
5.610233
6.579012
5.174429
7.242851
5.324702
8.755959
6.388089
8.342616
5.765755
5.205069
6.564730
6.107807
8.297815
6.568148
7.539003
5.700568
8.036576
7.032884
7.592349
8.323817
8.505097
8.062700
5.059191
8.414151
6.906171
7.397153
8.736183
8.545869
5.888562
7.702094
5.970840
5.420286
5.677984
5.243400
5.306635
6.317164
8.452727
8.958357
8.556612
5.380245
8.834574
6.300439
5.180532
7.116016
6.372951
6.234153
7.844920
6.476226
5.896741
7.751167
6.034318
8.902814
5.605960
8.285852
8.594577
7.708197
6.783853
8.404996
8.079424
6.166402
8.998276
7.144215
5.778085
5.690924
8.672216
8.369716
6.296411
7.471862
8.895734
8.536958
8.567598
8.950911
6.354762
6.223533
6.168966
6.506134
7.253227
7.810373
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5.722907
6.100848
5.686407
6.919111
6.626133
7.244316
7.351497
7.049852
5.247429
7.014939
7.792795
8.240318
6.904950
8.369594
7.509583
8.939192
8.566988
5.896496
8.562227
8.533052
5.678594
5.066759
7.018113
5.295160
8.822977
5.599246
6.172506
6.638707
5.593509
8.820414
8.916974
6.549226
5.053209
6.890179
5.630985
7.073778
8.153035
5.770272
7.973708
6.737098
5.488159
7.809641
8.946394
5.714652
7.499008
7.876827
8.241218
6.422926
6.693564
5.174230
7.177221
7.147191
6.196356
8.381603
8.033082
7.608264
7.613880
8.465835
4.961821
8.724265
5.441816
5.901181
7.347148
8.273934
8.644795
8.093631
7.410627
5.302652
7.134129
8.735496
6.154363
7.145604
7.519517
5.966124
5.014679
6.942106
8.509049
6.210639
8.602557
5.518845
8.332163
6.573931
5.903134
5.513840
6.561968
6.664510
7.313822
7.618274
8.709861
6.722861
8.890286
8.810694
7.969359
6.930021
5.181188
8.457411
8.483657
8.769677
6.022156
6.156194
8.510636
5.320597
6.665975
5.197058
7.861934
5.355022
6.623981
5.514206
5.990173
6.113956
6.593585
8.006226
7.100558
7.639515
6.846278
6.097842
6.659261
7.536119
8.451674
6.419874
7.676382
5.036287
8.712424
6.479446
5.137364
5.246498
8.185675
7.199561
6.957732
8.447157
8.664937
8.199225
5.835139
7.322245
7.497177
7.691885
6.377270
4.995025
7.612781
6.875210
5.875179
8.741966
8.639424
8.688620
5.103183
8.260628
6.478225
6.812464
7.514634
5.370403
6.715049
6.785363
7.212012
8.014527
7.243507
7.112522
8.066408
7.443464
7.472762
6.241768
6.358959
7.453108
7.497787
7.282327
7.321757
8.551653
6.603839
6.339915
7.951415
7.932249
8.483901
8.344493
8.471816
6.124699
6.539628
8.244758
8.819849
5.201941
8.645650
5.445601
8.529435
5.416425
6.747887
5.362224
6.389721
5.140660
6.674154
7.966552
6.251045
6.988617
7.529893
5.200232
5.354167
6.989715
6.055116
7.131199
7.558947
5.695242
7.317362
6.726279
5.844905
6.087222
5.115390
7.116306
8.462416
5.167760
5.469161
5.228309
5.104404
8.103275
8.570208
7.660390
7.479965
7.798334
6.568438
8.673116
8.658101
6.773522
8.569842
6.173528
7.561876
8.224738
6.219184
5.566088
6.985687
5.134190
7.246071
7.346416
7.510849
6.314890
6.343455
8.310923
5.693777
8.256233
8.760277
8.260140
6.904508
7.651357
7.977783
8.068239
5.186926
7.479110
8.848659
6.994964
8.517838
7.514878
5.570360
5.115268
5.840022
8.146367
5.870663
6.740196
6.243721
6.369457
6.778161
6.705771
6.670370
8.838893
5.354778
7.403546
6.516068
8.847072
5.763359
8.428846
5.508469
8.109867
6.046083
8.720237
7.231178
6.230659
5.990173
7.067843
8.671651
6.719077
7.452620
8.862331
6.169134
6.440138
8.522355
4.961211
6.134098
5.367229
6.892422
6.548540
6.916837
7.515854
5.819025
5.860286
8.200079
5.930479
6.040590
6.653157
6.288766
6.602863
5.032991
6.289743
7.675039
8.194098
6.976165
5.315836
7.249611
8.436048
8.806299
6.406201
7.538072
6.087954
5.728690
6.550615
5.335368
5.323283
5.567553
8.358531
6.113224
7.420148
7.325297
6.355174
8.576434
8.631489
5.329142
6.145940
7.741813
5.111362
6.337596
8.320933
6.917692
7.769280
# Label of molecule (11)
0.829002
# Number of Instances of molecule (12)
3
10.434988
8.878313
9.621935
10.588361
12.274348
8.991256
11.245131
9.302210
10.445792
8.692550
8.734124
10.090368
9.405965
9.772113
12.730788
10.625272
11.521333
11.156525
11.643958
11.548684
11.996628
8.792552
10.874333
9.716048
9.699393
12.319043
10.494330
10.021280
10.885433
11.637076
12.488525
12.125161
12.011679
11.080664
11.709039
10.932235
9.865323
9.664868
9.038676
12.044403
10.103373
10.242669
12.659134
8.749807
8.933090
12.692656
11.304036
10.251156
11.735343
11.682253
12.155083
8.354071
9.888761
11.252101
9.120814
10.717984
8.118280
12.434615
9.566229
8.455556
10.063612
12.544576
10.778636
8.886639
10.469136
9.403918
10.491757
9.209021
10.251421
9.869367
11.791807
10.246096
9.503398
9.918966
8.579838
8.674969
10.276278
11.199922
8.832950
9.874026
11.841879
9.030893
9.629376
9.485912
9.263780
9.504496
12.428624
8.525124
10.998891
10.117760
11.294878
11.503772
12.009550
9.383272
12.225274
12.140836
11.380030
10.347609
11.474758
11.660801
8.640654
9.535609
8.596311
12.245511
11.191096
8.872580
8.538048
9.589905
11.543174
9.345016
10.821892
11.258670
9.168860
12.524940
9.096307
9.913898
11.213340
11.814576
12.204667
12.582136
9.869143
10.177101
8.706584
10.219394
9.252138
12.286285
11.334328
10.761275
9.337589
9.936037
11.791601
8.366128
10.338557
8.622968
9.464071
12.500979
10.829606
12.432740
10.033242
11.931689
11.535386
10.097786
10.297382
10.412517
8.785677
10.953781
9.701963
8.857010
11.300465
11.196551
9.864701
11.167888
8.724281
12.525209
10.922666
11.232897
10.489605
10.785184
11.786441
9.029984
9.613991
9.508847
11.385908
9.720998
10.876065
9.781885
9.419363
10.323204
10.826555
10.624382
11.134051
10.192828
8.914941
9.596182
8.235365
12.535916
8.761404
10.085613
10.904298
9.849117
10.602776
9.497732
10.778386
10.149704
9.104013
10.877061
9.092261
10.326419
9.463708
12.065286
11.774642
11.760682
11.804864
10.560662
10.431421
9.166928
11.285575
11.566810
9.201696
8.615579
11.730109
9.125139
10.005551
9.529727
11.882493
8.609905
9.535321
8.819516
10.233419
9.616862
10.524163
10.535675
9.493442
10.546400
8.675387
10.689198
10.599560
11.724434
10.415481
9.928531
10.292506
9.968417
7.297915
8.972750
8.768489
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5.948988
5.835704
5.048326
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5.144520
8.653905
# Label of molecule (12)
0.798709
# Number of Instances of molecule (13)
3
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9.077260
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8.360363
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6.582476
8.195929
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6.276559
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6.886196
8.227302
4.882351
6.321482
5.017365
8.359996
6.800989
# Label of molecule (13)
0.809700
# Number of Instances of molecule (14)
5
10.514400
9.100287
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10.494940
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6.824885
8.631092
# Label of molecule (14)
0.812187
# Number of Instances of molecule (15)
3
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8.085772
6.066790
8.131306
8.446501
6.711097
8.990219
8.321619
8.143391
7.733955
6.253929
6.072161
8.233360
5.238762
5.856456
6.716956
7.503113
5.429197
7.817820
5.416990
7.138112
5.128651
6.088519
7.565126
5.987930
5.930921
8.139729
8.274743
8.198447
8.373379
5.106189
6.331202
7.086474
8.508026
7.361629
5.978164
7.131275
5.247917
6.395413
5.915418
7.958693
8.860210
5.871838
8.881817
8.192099
# Label of molecule (15)
0.805389
# Number of Instances of molecule (16)
4
10.358163
9.059239
9.740857
10.717946
12.388241
8.942104
11.187931
9.388525
10.421535
8.880026
8.486000
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9.395911
10.008048
12.669156
10.687371
11.531604
11.155404
11.734619
11.834020
11.986359
8.845110
11.142063
9.618496
9.781770
12.324885
10.603439
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10.865312
11.620939
12.359081
11.920481
12.051037
11.305519
11.469274
10.686082
10.096095
9.739488
9.105383
11.761176
9.967404
10.291196
12.690021
8.938078
9.150601
12.446218
11.129254
9.774292
11.357786
11.333875
12.342994
8.319172
9.645050
11.478461
9.403214
10.522376
8.514522
12.603667
9.832122
8.355308
9.955461
11.967382
10.787349
8.915782
10.939364
9.501638
10.409430
9.413265
10.191771
9.852752
11.889187
9.904265
9.795483
9.838930
8.538714
8.966046
10.813090
11.555490
8.811905
9.967417
11.803842
9.284398
9.437866
9.469410
9.642537
9.438710
12.360549
8.506391
11.206681
10.184317
10.911576
11.503342
12.021123
9.044880
12.042204
12.573672
11.596529
10.315262
10.923560
11.913673
8.783548
9.544528
8.944498
12.334007
11.506149
9.144690
8.661222
9.746907
11.492766
8.905336
10.899637
11.474047
8.798726
12.756388
9.493763
10.031042
11.699647
12.150999
12.391813
12.674400
9.835364
10.128797
8.702290
10.138212
9.359657
12.367127
11.038914
10.785826
9.237023
10.014097
11.427654
8.454937
10.046202
8.982443
9.451162
12.143902
11.171754
12.346421
10.540758
11.900025
11.140437
10.004594
10.356279
10.615173
8.654054
10.874962
9.500091
8.904754
11.775027
11.198916
9.874488
11.225846
8.585855
12.680336
10.366847
11.391248
10.653144
10.759344
11.420486
8.777476
9.295968
9.540803
10.923198
9.628617
10.706256
9.989670
9.292595
10.373423
10.780622
10.159935
11.003803
10.199096
8.553456
9.404944
8.239551
12.523026
8.478456
10.134417
11.099035
9.487126
10.400529
9.849847
10.674873
10.143690
9.177579
10.738262
9.124167
10.424270
9.699648
12.002153
11.582866
12.200428
12.285411
10.778612
10.722678
9.046929
11.348438
11.492123
9.118665
8.422186
11.861822
9.141565
10.331691
9.599604
11.922965
8.775907
9.088413
9.047304
10.315428
9.712415
10.197802
10.617665
9.517213
10.296195
8.492973
10.207491
11.067179
11.503133
10.568648
9.886022
11.772100
10.530841
6.748860
8.888284
9.456651
8.768896
9.341456
10.974784
5.993923
8.407970
9.130149
8.119768
8.518067
7.254815
6.389403
7.012302
11.984855
9.836526
7.728113
7.351260
6.855097
7.079147
7.165755
8.892283
7.768231
6.462520
9.574232
7.036870
7.952090
7.083521
7.028573
5.217369
8.284008
10.910638
9.477455
10.059434
6.448437
11.236465
9.895902
7.112164
7.155607
10.270990
8.666482
8.979966
5.338385
10.440204
9.760464
6.501991
6.878498
8.174893
7.835340
6.399280
6.268245
8.596827
7.381590
10.886906
9.713198
7.561207
6.225447
5.662577
8.506003
8.862849
7.431735
6.351482
7.916715
5.194952
6.628468
5.855983
7.706381
7.508133
5.033815
6.180334
7.943937
6.320963
6.183020
5.335704
5.855617
7.332591
6.285806
8.081515
5.043214
7.405835
7.371288
5.371838
8.432112
6.229286
7.654744
6.576464
7.524857
7.189520
7.896084
6.848201
6.835017
4.829707
7.626545
6.016144
8.374004
6.269082
7.116276
5.375866
7.069155
7.958220
4.960204
6.753227
5.985626
7.145329
7.155705
8.216651
6.228431
5.428602
5.546892
4.813227
8.398907
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5.512589
4.703360
8.480697
6.341716
4.769524
5.067507
5.031129
8.590930
7.169500
6.163121
8.551622
6.881527
5.362194
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5.912748
5.102786
8.201880
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6.709525
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5.399548
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7.670492
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5.110111
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8.689322
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6.546190
6.308267
4.948973
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6.348064
7.406812
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7.366405
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6.819269
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5.750877
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8.531846
7.527909
4.783441
6.727836
7.233711
5.802515
8.102268
6.984924
5.963286
4.876339
7.946135
6.941710
5.191778
5.440809
6.349651
4.775018
6.952452
7.182318
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8.468245
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8.470809
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6.263466
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6.150060
7.550615
4.842402
6.658742
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6.151158
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7.782922
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7.112003
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8.141453
5.854762
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6.280679
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7.078188
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6.315577
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6.756142
6.278710
7.126637
6.830241
5.881237
6.668737
5.779061
6.611118
8.587252
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6.494171
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6.009293
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8.581271
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6.357936
8.603854
6.629673
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6.383572
6.548982
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6.251488
6.996506
8.961776
6.329127
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7.689154
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5.042589
6.311548
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5.289056
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6.793374
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8.142659
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8.462004
6.485504
6.908002
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8.339930
5.406247
5.209342
6.241844
5.209586
7.193289
8.519623
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7.374813
6.680334
8.061602
5.717414
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7.565126
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6.244407
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6.788491
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5.397946
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6.245872
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8.324305
6.588778
6.829997
8.405972
6.615146
5.463134
8.871075
5.693854
5.904798
7.688055
7.289361
6.552767
5.638920
8.447600
6.183737
7.346980
5.999283
8.671484
5.110706
8.447844
6.250633
7.125782
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6.591098
5.157949
8.136189
6.618198
5.499878
6.213034
5.029527
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8.411100
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6.605502
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7.328181
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6.111713
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8.200034
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6.392727
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7.376888
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8.311121
5.605594
7.035691
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8.120685
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8.595065
5.971572
8.546113
8.369839
6.062639
5.833995
7.447203
6.089007
7.299615
7.892407
7.446593
7.035569
8.242027
6.343898
8.006180
6.945967
5.803354
7.923658
6.872600
6.222678
6.331202
5.917249
6.764443
5.068957
8.492889
7.009934
5.175771
6.090030
6.916471
8.622211
5.055696
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6.802210
6.280343
6.140446
7.213111
6.520096
4.954863
6.492752
5.582202
8.678488
8.060305
7.962523
4.958159
8.065432
5.984069
6.060854
8.318979
7.530869
5.510544
6.353587
6.892056
6.111393
5.642384
6.285348
7.191748
5.271645
8.195807
7.307474
5.266274
5.138340
5.543870
8.186895
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5.884579
8.368053
7.564684
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6.405469
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6.819788
4.968902
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7.809565
8.026368
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4.805200
4.804834
8.036500
6.325022
5.449385
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5.553392
4.842799
7.940794
7.416120
7.078097
8.022828
7.299661
6.178533
8.097293
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8.360118
5.989319
5.456954
5.576342
5.484054
6.843715
6.119938
6.249947
6.830897
4.884548
6.165349
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6.055239
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5.904965
5.775567
6.311472
7.521470
4.992340
6.085635
7.436140
7.279519
7.399152
5.446821
5.185705
6.926481
8.132817
6.020692
5.404706
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7.572253
6.608600
5.997131
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5.296060
8.114139
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5.963805
6.316843
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7.912351
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7.070284
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7.606067
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6.320994
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7.017914
5.754814
6.363842
5.305216
5.630055
8.046876
6.988128
7.268044
5.127110
8.379284
5.978454
8.195929
7.800165
7.531602
7.264504
6.177068
6.036195
8.454237
5.094394
6.839076
6.268990
6.143742
6.606403
4.922025
8.765893
7.634022
5.174230
8.157964
6.624470
5.980773
6.901090
6.328074
5.357463
6.111759
6.635701
6.376293
6.435987
6.420972
7.889035
8.450819
8.170660
5.978332
7.022431
7.752312
7.302103
5.232704
8.085452
5.059847
6.679281
6.081851
8.676656
6.813196
8.396863
7.184057
7.202612
5.623707
5.769463
8.387585
7.910764
6.090030
5.516892
8.151738
6.070986
6.794031
5.535325
7.836177
5.679373
7.351054
7.628529
6.730796
8.062136
7.389874
6.576495
5.704276
7.751091
6.337107
6.914029
7.343974
6.009339
6.882046
4.794946
6.463210
6.379833
6.995453
6.318918
6.851039
6.630940
7.377911
7.691763
6.138493
7.478011
7.214087
8.599017
8.658101
8.450941
7.105197
8.163823
8.169195
7.287088
8.056764
6.866787
8.326914
5.221229
5.396405
7.801141
6.767174
6.550005
6.496292
8.638813
6.684530
6.844081
7.174047
5.683157
5.776910
6.183538
7.650136
5.381878
6.432569
5.793023
6.933683
8.676290
5.034455
8.449110
8.513810
7.561022
8.256478
5.035798
8.229377
7.230323
6.226875
7.625477
5.195349
5.184973
6.434767
7.455428
6.657430
8.675314
6.251900
6.180364
7.650868
5.854305
7.948851
6.771935
8.341197
8.018555
6.076601
8.442274
5.917051
6.307566
7.091891
7.965331
# Label of molecule (16)
0.815324
# Number of Instances of molecule (17)
5
10.434602
8.943969
9.704634
10.540752
12.568720
9.057569
11.401537
9.227983
10.392806
8.684963
8.600079
9.859699
9.582763
9.910691
12.530181
10.581138
11.709691
11.154552
11.585983
11.610255
11.742529
8.852469
10.918427
9.595534
9.843316
12.202832
10.664789
10.085356
10.921671
11.878782
12.312690
11.959066
12.070812
11.125748
11.425112
10.785015
9.818172
9.785562
9.220488
12.017704
10.060749
10.199147
12.451594
8.684209
9.139807
12.539741
11.310339
10.087182
11.958966
11.495368
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6.687674
7.839198
6.154454
6.445235
8.720817
5.192999
7.839686
7.577593
6.143956
8.224219
5.649434
5.427259
5.432020
5.561785
8.409772
5.735740
6.071322
7.048647
7.145329
7.994354
8.783685
7.420850
6.362590
8.509507
5.961699
6.978698
7.480667
7.649495
7.690146
7.125431
8.785882
6.143712
6.726737
8.648305
8.284646
5.313364
7.821375
6.615894
5.830470
8.105686
8.744011
5.769066
6.898618
7.808557
6.399579
6.277749
8.384014
5.319224
7.404370
7.740196
8.798456
5.843654
8.496323
5.300424
7.240913
7.899136
6.158727
5.756493
5.515885
7.498123
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5.537126
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6.385418
7.065371
6.419233
6.060945
7.206122
7.056948
6.863948
6.114536
8.477767
6.835627
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5.843654
6.241493
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6.039338
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7.269845
6.382122
5.272103
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8.701651
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7.063295
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4.983764
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5.177374
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4.991821
7.096500
7.037049
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8.204688
5.237800
6.877865
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6.810236
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5.522111
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6.614551
6.297159
8.643788
7.167058
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7.227119
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7.307566
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6.692190
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5.231819
8.075411
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8.373150
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6.473434
6.356120
7.116276
8.783197
7.678671
6.153233
7.624714
5.282968
5.687033
8.632191
# Label of molecule (17)
0.805529
# Number of Instances of molecule (18)
5
10.403187
8.931207
9.686258
10.702287
12.457516
9.016999
11.361543
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7.169164
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7.282769
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6.361721
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6.257591
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7.550600
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7.471618
8.023759
4.820170
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6.042131
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7.190115
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8.667089
6.805338
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7.354305
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4.819559
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6.103778
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8.507416
6.925336
6.296167
8.069292
4.868511
8.297082
7.776193
5.428831
# Label of molecule (18)
0.800256
# Number of Instances of molecule (19)
4
10.652512
9.081333
9.667674
10.541500
12.279476
9.137411
11.243392
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6.514924
7.353816
7.204764
8.123127
7.017991
5.702155
5.265740
6.116718
8.248497
8.095172
8.694189
8.281335
5.108142
7.810739
7.466369
7.904004
8.176351
7.781442
4.912091
7.290704
8.293664
6.657018
7.936476
8.232871
8.641209
5.517945
7.921583
6.559114
6.184347
7.610538
5.183584
6.148701
6.360134
5.481567
7.858837
5.780770
4.881817
7.886059
6.094134
6.194235
8.534394
4.842998
8.418546
6.733802
4.838847
7.215506
5.167104
6.956832
8.458098
7.188284
5.837535
6.576327
6.218894
8.019608
7.248711
7.114795
8.628269
5.440672
7.380184
8.643773
5.754646
5.079943
5.766488
4.984725
7.353572
6.283471
5.321162
6.745766
5.108386
4.711035
8.464324
7.568789
4.864605
8.080279
6.431425
6.963179
6.731117
5.432005
6.635899
5.100208
4.922590
8.297937
4.961653
6.944136
5.221183
8.138020
7.860057
7.091968
7.928541
8.428678
7.126881
4.702002
6.185080
7.773019
8.234214
7.881787
7.533143
8.410855
7.090991
4.911725
8.595309
6.500763
8.109577
5.680670
6.746132
6.551790
6.450835
6.706580
6.650792
8.377529
7.324885
7.118702
5.545412
4.949324
5.220695
4.975204
7.135670
7.523255
7.941237
5.292352
7.986526
8.414029
8.317103
5.158681
6.279321
5.793954
8.476287
7.311335
4.811869
4.889874
7.542299
7.547060
6.114887
7.953078
5.638188
7.345393
7.560610
7.377865
7.069384
5.076403
6.339259
6.343898
7.561098
5.171010
6.177145
5.356563
8.426481
6.625645
7.672308
7.061083
6.538240
6.218894
6.121479
5.704474
6.981002
5.813608
6.716102
5.622440
7.257134
7.120167
4.977889
7.122242
7.924024
7.295465
6.314600
8.141438
6.533723
6.753334
8.564791
8.053667
5.754769
6.559969
5.412717
5.998184
8.546846
6.791665
6.543367
8.108234
7.265191
7.226615
8.415860
8.012040
7.571963
5.749519
7.527894
6.982955
6.023698
7.841502
6.049089
6.112934
6.216819
6.529817
5.694464
4.884136
8.360317
6.175314
7.716987
6.513947
5.154530
5.469848
6.890667
8.449187
6.850017
5.019639
5.362300
6.382351
8.359096
6.889569
6.244652
6.168233
5.298578
7.483947
4.826273
8.011917
7.838328
7.137257
5.274895
5.306757
7.225761
# Label of molecule (19)
0.815847
# Number of Instances of molecule (20)
3
10.420974
8.917888
9.473379
10.634339
12.326317
8.940092
11.343433
9.230287
10.583691
8.673265
8.556516
9.956590
9.551825
9.794454
12.689321
10.591470
11.688715
11.012811
11.796360
11.674516
12.027457
9.002092
11.043808
9.755479
9.903722
12.443097
10.412184
9.908066
10.879578
11.636494
12.508416
12.113893
11.991682
11.287726
11.584129
10.872045
9.843670
9.695625
9.208375
12.000655
10.232243
10.041603
12.380687
8.607416
8.944790
12.329077
11.355118
9.894407
11.896088
11.478441
12.635651
8.153562
9.471893
11.197390
9.098866
10.974918
8.537376
12.642698
9.791316
8.667716
10.313510
12.254366
10.655028
8.859004
10.868866
9.527130
10.506736
9.527184
10.351143
10.029886
11.728746
10.055772
9.567449
9.720141
8.315224
8.965785
10.426971
11.463521
8.793071
9.770416
11.610671
9.413272
9.589014
9.391357
9.716777
9.661374
12.088289
8.143772
11.324576
10.122035
11.393673
11.750010
12.677427
9.429008
12.175047
12.774694
11.530272
10.092451
11.123856
11.901285
9.032256
9.607103
8.974518
11.786831
11.503059
9.091981
8.677902
9.339135
11.713199
9.265709
10.889909
11.601738
8.875592
12.255902
9.396550
10.218536
11.770301
11.879053
12.265751
12.209106
9.775342
10.141014
8.480001
10.425842
9.368782
12.314794
11.057455
10.541286
9.317429
10.216335
11.625606
8.496340
10.569402
8.906710
9.046370
12.467692
10.700820
12.363750
10.532774
11.508321
11.639131
10.074051
10.468167
10.316071
8.481994
10.828346
9.524031
8.918033
11.869391
11.013916
10.235007
11.541747
8.609779
12.197997
10.449817
11.258909
10.991289
10.812662
11.736458
9.118071
9.663004
9.211744
11.170116
9.250772
10.908950
9.916509
9.519574
10.113587
10.571212
10.116230
10.619797
10.303819
8.946445
9.455615
8.285877
12.692585
8.918978
9.716017
10.770600
9.962953
10.699722
9.791198
10.750926
10.262237
8.714496
11.040645
8.907757
10.483281
9.629314
11.825221
11.867465
11.932483
12.364696
10.833530
10.439239
8.752733
11.014162
10.967493
9.632967
8.391774
11.963022
9.231676
10.323491
9.670622
11.921045
8.796744
9.082731
8.824193
10.041683
9.969086
10.572893
10.689398
9.566781
10.349474
8.721415
10.669922
10.851233
9.794160
9.297120
8.594553
11.448052
7.996533
8.495329
8.340825
9.975482
9.118107
11.654015
10.305931
8.232418
10.933385
9.672725
10.515635
6.637744
7.198091
6.912362
8.968844
8.880860
10.591559
7.523046
6.366307
6.612235
6.993469
8.814414
9.812925
10.328386
6.309683
10.225558
7.271911
6.647131
9.191099
8.931592
5.419699
10.448310
10.318940
6.923620
10.908056
6.407397
11.462881
9.884594
5.659019
7.619669
9.527547
9.717103
11.125232
5.062564
8.336640
6.811048
8.788532
8.752220
6.947178
6.907025
7.273937
7.854507
10.251006
7.267741
8.028683
9.271874
7.361622
5.851467
8.732804
7.511068
7.865936
8.610531
5.522584
5.417844
7.846873
8.290735
8.876202
7.940504
5.859630
6.934736
6.721595
7.756294
5.414914
7.030320
8.437712
6.773598
6.845622
5.676641
8.434782
6.047136
8.035356
8.846416
5.574221
5.745369
7.209281
8.802713
5.923963
8.737037
7.997879
5.321528
8.224326
7.667302
5.149403
5.593997
5.440672
5.404416
7.265923
7.682196
5.776742
8.725196
6.936934
6.405911
6.523103
5.119861
6.647984
6.533479
8.118122
6.588778
6.836100
6.151875
5.792856
6.305078
8.469695
7.092944
6.179220
8.021317
8.526582
7.287652
6.251854
6.091693
8.745582
7.925733
5.982559
7.988235
8.025834
6.295679
8.079546
5.181631
6.850993
7.178152
8.188437
8.267296
6.110248
7.669988
8.929060
8.205893
8.694189
8.312708
5.142323
7.557680
6.237693
5.400021
5.724738
7.583804
7.387753
5.341914
7.421812
7.089160
5.968642
7.955519
5.958998
6.882977
5.421018
7.563295
7.883007
7.731758
5.888928
6.769814
8.488739
7.678411
6.331446
7.793161
7.207816
6.604892
8.030961
8.225913
5.832530
7.911328
7.876659
6.101215
8.950911
5.187002
7.795602
5.139027
7.967605
7.749458
8.706763
5.045274
8.086016
8.924787
7.374447
7.742744
7.626286
6.945845
8.535249
8.405118
5.053453
6.342311
6.671667
6.171773
7.093188
5.698248
5.811777
7.416807
5.306635
7.651189
7.725288
8.447478
6.502472
5.008774
8.893902
6.507721
8.359096
6.858684
8.629856
5.961562
5.633671
6.543245
8.718360
8.530488
6.331080
7.378597
6.957686
6.460967
7.209647
7.990066
8.973739
7.497131
7.997024
7.139332
8.681372
6.531770
5.692755
5.920057
5.771493
8.813944
8.331629
7.194021
6.594638
7.584048
5.582156
6.146016
8.818949
5.015488
7.557436
7.829661
8.235679
7.335505
5.210318
5.581423
8.089801
6.999435
7.691351
8.176473
5.307367
6.796793
6.040422
5.600589
5.997208
6.760170
6.591464
5.317133
8.600803
8.755226
7.462340
8.897565
7.065111
7.623966
5.504395
8.896832
8.415616
7.759346
7.090381
7.845164
5.099963
5.982925
6.111347
7.231620
8.483123
7.603458
6.560091
8.355312
7.862987
8.529389
5.075793
8.918683
5.387204
6.311426
6.824503
5.237541
7.241752
8.990341
6.089862
7.945021
5.487426
8.622166
8.951521
5.059191
6.922163
8.361782
5.421506
8.297327
7.339290
5.972549
8.420621
8.503754
7.560488
6.643345
6.961226
8.071368
5.617191
7.983230
6.919965
8.230918
5.454833
6.072283
6.768715
7.080859
8.536348
5.441771
5.642827
6.235862
8.717750
5.858165
7.120167
5.967177
8.774148
8.788064
8.085162
6.708899
6.947066
8.416837
8.055010
8.808939
7.892041
6.097797
8.341395
8.394253
6.398465
5.105213
8.422575
5.230827
6.258202
8.567721
8.902448
8.449553
6.657628
5.455565
8.429289
8.013749
6.468291
7.499084
7.951857
5.805429
6.811075
6.271294
6.336482
6.851268
8.231315
8.093738
5.187521
6.122120
8.819468
5.787637
9.043718
6.952223
7.064409
5.732337
8.255730
8.420286
8.254021
5.535066
7.469451
8.392819
8.562868
6.195486
5.706214
5.449492
5.159688
9.011002
5.340358
6.738350
8.650517
7.099567
6.350764
6.634465
5.230979
7.415372
8.220817
7.080767
5.928388
5.130634
7.861675
8.480834
6.300104
6.260430
7.934065
6.023240
5.971847
8.404172
7.943587
8.310297
7.384365
7.479461
8.484619
5.164815
7.127155
8.323847
9.006485
5.494781
7.232994
7.036821
5.480010
8.084338
7.808329
6.941603
8.336177
6.191336
8.374386
8.036851
7.052934
8.824961
7.294275
7.816752
5.767006
7.575655
6.662053
5.333277
8.282586
7.878399
8.025498
6.375179
8.853893
5.576815
6.322443
5.639073
7.116779
7.669897
7.400967
7.768654
7.543306
6.111744
8.501465
7.135090
5.794107
7.541963
7.074908
8.234855
6.345882
7.819803
5.311060
6.580020
5.765419
6.238945
7.754006
7.955794
6.008347
8.296503
7.376797
5.919477
8.115833
7.891461
5.493927
7.417936
6.684637
5.828410
8.883801
6.395688
7.486419
7.500702
5.496368
7.271447
8.608890
8.627689
6.124195
6.156301
7.496796
7.922834
5.406034
7.689184
6.266045
7.565523
5.544343
5.364162
5.665929
8.353389
8.107166
7.226279
8.064928
8.407956
5.291040
6.807077
7.835063
8.311640
8.020737
5.179952
5.509308
7.548555
6.258477
8.006211
8.088488
7.124958
6.900952
7.448210
7.870098
7.244469
8.635502
8.826060
6.176687
6.913282
7.133015
7.889508
6.357234
6.349544
5.952071
6.583926
6.437071
7.073199
6.528626
5.182150
7.791360
6.549379
8.626713
6.659124
6.216605
6.262749
6.624210
7.183798
5.775918
6.095386
9.012345
8.602420
5.793130
7.885479
6.476867
6.790353
5.369045
9.039445
7.944441
7.744972
7.797830
5.074847
5.961592
5.295923
5.255150
5.967696
6.787057
8.308466
6.136402
5.178854
6.568300
7.252037
5.417020
6.235771
8.980117
8.013779
8.411985
5.744057
5.698279
6.826609
8.307978
5.702551
7.085528
6.191092
7.845439
6.000046
8.461547
5.663854
5.522736
5.964644
7.335292
7.388516
8.698981
5.844279
8.973281
6.243339
5.970626
5.090960
7.677465
8.481933
5.196677
8.325678
5.150777
8.739631
5.546663
7.856792
5.323023
5.283959
5.947310
5.629429
7.011307
7.381191
6.303400
7.478484
5.793497
6.654241
7.865581
8.561647
6.466979
6.310114
5.122944
6.847484
5.467071
8.107532
7.594089
7.532929
8.623661
6.941847
7.889386
7.265221
7.625828
8.923963
6.425474
9.043840
8.576296
6.823679
5.159444
8.676885
8.002426
8.758065
8.724372
7.667943
5.706824
5.994675
5.335597
5.406156
5.826823
7.748634
5.848552
5.537507
7.480804
8.845347
5.336940
5.389798
8.374264
6.127247
5.571810
7.327357
# Label of molecule (20)
0.811408
# Number of Instances of molecule (21)
4
10.368113
8.882125
9.588320
10.610049
12.458177
8.899722
11.221356
9.350561
10.447760
8.818730
8.509268
9.816518
9.364685
9.928000
12.710613
10.586177
11.686895
11.084283
11.628830
11.596581
11.990055
8.859291
10.990871
9.586758
9.693776
12.435791
10.660188
10.090606
11.068368
11.757726
12.469497
12.113139
12.048542
11.345809
11.745964
10.860455
9.916132
9.893648
9.143321
11.761670
10.294579
10.307723
12.548673
8.979520
9.062379
12.483990
11.395359
10.059766
11.809891
11.799094
12.559009
8.256844
9.317149
11.820023
9.509515
10.942717
8.450190
12.681402
9.712075
8.469841
9.945214
11.957640
10.927187
8.543469
10.448702
9.396058
10.207308
9.277404
9.988183
9.915901
11.780340
9.886061
9.619915
9.716258
8.617351
8.896180
10.459033
11.418055
8.805525
10.125727
11.264916
9.227768
9.792184
9.200048
9.705472
9.539931
12.453181
8.376761
11.385168
9.702342
10.960003
11.180459
12.456416
9.256917
12.234847
12.211621
11.465343
9.926303
11.444060
11.549871
8.928300
9.172232
8.900682
11.986899
11.366350
9.104828
8.955901
9.743849
11.409080
9.418152
10.910989
11.122447
8.801361
12.541400
9.573586
9.883557
11.776861
12.262560
12.355333
12.194727
9.671786
10.179797
8.719606
10.502578
9.122795
12.251425
11.363745
10.661764
9.528731
10.275435
11.843462
8.748511
10.148370
8.868922
9.335910
12.191839
11.030579
12.591620
10.386473
11.896622
11.212631
10.007900
10.579270
10.789408
8.502569
10.941007
9.673592
8.800010
11.342570
11.426889
10.457255
11.360586
8.514713
12.629897
10.655203
11.626464
10.490863
11.061962
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5.103580
5.341624
7.711203
8.656667
5.312937
6.931516
# Label of molecule (21)
0.803047
# Number of Instances of molecule (22)
4
10.479114
9.018260
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8.342418
5.939879
# Label of molecule (22)
0.805889
# Number of Instances of molecule (23)
5
10.605056
9.008394
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5.912976
# Label of molecule (23)
0.805832
# Number of Instances of molecule (24)
5
10.564935
8.948600
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7.117115
8.076617
7.473327
7.504578
6.893963
8.319544
7.849925
# Label of molecule (24)
0.798908
# Number of Instances of molecule (25)
5
10.431070
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7.147923
6.755577
8.191778
7.876827
6.826014
5.632374
7.628407
8.192755
8.122929
8.684103
5.717338
6.999481
6.903409
6.080508
8.507096
8.495987
6.652181
6.668416
9.150182
6.059877
8.769677
6.527421
5.775079
6.393262
7.735588
8.049928
6.410840
6.629719
7.015595
7.918699
7.841670
5.777276
5.583056
6.358715
5.267373
5.871883
6.935270
8.037111
7.642445
8.217780
8.474624
6.985931
7.569567
8.087527
7.134373
5.924741
8.624409
5.258705
7.119236
6.355296
6.982879
5.762383
5.640065
7.805170
6.230171
8.215339
6.514603
8.595111
6.222968
6.115055
5.510544
6.504471
8.882473
7.470321
5.306314
7.710074
5.790460
7.142064
7.943724
6.373974
6.467971
5.271035
6.647420
7.253639
8.204962
7.165990
8.887356
5.711722
6.322581
6.027161
8.557512
5.498825
5.739067
7.882076
7.147679
8.684469
8.715110
8.106204
5.782159
6.111270
7.653798
6.904874
7.999878
6.749107
5.831599
9.131260
7.152684
6.320383
6.931974
7.815058
6.295846
5.575488
8.260384
8.777612
8.445082
6.591388
6.513016
7.706900
9.075472
5.467574
6.975677
9.069735
8.739402
5.797296
9.027375
6.234199
5.674245
7.285257
6.822596
8.178228
6.279366
5.890561
6.030335
8.158330
5.333781
7.866695
7.500839
7.716178
5.831965
6.075381
6.737632
7.393902
6.310984
8.949614
8.049928
5.536790
5.545946
6.478957
6.258492
8.556658
8.486831
7.593982
6.832728
6.029847
7.312235
5.323893
5.330607
6.009339
5.476485
8.103153
9.020539
7.918577
6.622639
5.599902
5.554735
8.409803
8.238411
7.445906
5.576586
5.556200
5.929136
7.235694
8.128544
8.756615
8.183355
6.178655
7.741813
7.723869
7.504257
8.770775
8.081179
7.936888
7.784539
8.867092
9.017731
5.926328
5.798761
6.526933
8.007935
7.772820
6.686361
6.007752
6.651448
8.189703
7.302957
7.281472
7.304300
5.568163
7.313822
5.450606
6.620563
# Label of molecule (25)
0.811803
# Number of Instances of molecule (26)
3
10.539986
9.097749
9.551778
10.757021
12.350258
8.884991
11.468977
9.210960
10.565971
8.780624
8.596352
9.873245
9.447048
9.876000
12.554339
10.529390
11.620399
11.080096
11.794829
11.773768
11.990107
8.915987
11.050997
9.774534
9.626071
12.145894
10.396900
9.940576
10.855990
11.715326
12.458623
11.958747
12.027992
11.058682
11.727022
10.687144
9.841706
9.760539
9.247869
12.014088
9.953725
10.111848
12.359069
8.671700
9.134065
12.729906
11.655982
10.245538
11.792469
11.337033
12.054205
8.159866
9.493898
11.291211
9.008990
10.895629
8.537560
12.426987
9.526080
8.291159
10.298952
12.347683
10.481438
8.701913
10.560283
9.350146
10.101725
9.501687
10.114454
9.681455
12.224003
10.231469
10.033017
10.052506
8.592643
8.945975
10.391678
11.462709
8.507690
10.106018
11.304508
9.563375
9.862956
9.308265
9.293328
9.807233
11.898732
8.501921
11.300487
9.805436
11.429620
11.751035
12.137003
9.083689
12.133001
12.270288
11.735936
10.021988
11.409850
11.900176
8.751881
9.558780
8.601323
11.835145
11.445561
9.390788
8.604801
9.370662
11.576682
9.143292
10.722127
11.522380
8.923246
12.391637
9.207874
9.818219
11.564527
11.862976
11.854466
12.421146
9.712391
10.047818
8.515904
10.074506
9.086208
12.863767
11.043449
11.140431
9.394328
10.190334
11.637640
8.815773
10.070913
8.983448
9.200866
12.319461
10.778842
12.265535
10.019278
11.611977
11.774387
10.161281
10.587395
10.773172
8.832207
10.940256
9.956350
8.928739
11.405646
11.210739
10.012324
11.340643
8.459893
12.292823
10.578691
11.185989
10.742580
10.759384
11.968587
9.266189
9.477346
9.211942
11.487946
9.673749
10.437929
10.251219
9.358622
10.019772
10.452610
10.379340
10.977215
10.324629
8.636154
9.615928
8.196259
12.844841
8.562717
9.591259
11.061113
9.590305
10.833792
9.887611
10.849915
10.112454
8.939433
10.825803
8.956253
10.895012
9.237408
12.228222
11.534832
11.895056
12.119094
10.897175
10.556831
8.999990
11.178339
11.369511
9.619126
8.749787
11.571844
9.243754
9.769281
9.956278
11.818294
9.017103
9.474867
9.114588
10.337392
9.750332
10.396110
10.667136
8.820039
10.072926
6.479931
7.921422
8.662629
9.032018
10.474458
8.474942
9.524269
9.629559
8.503205
10.673267
8.901720
10.399316
9.712111
9.370913
7.338312
10.096645
10.638508
8.927399
7.888169
8.865335
6.744517
9.769808
11.613286
9.545995
6.543857
8.783616
7.006033
7.987064
10.322378
7.314084
6.840138
7.489551
10.249361
5.628470
6.440828
8.673561
7.329427
5.804910
10.029949
11.333860
7.888363
10.814612
8.143500
10.688959
9.145312
7.885326
8.256968
7.737927
8.880764
7.458521
5.481400
10.980361
7.518357
9.186432
6.617431
8.306038
6.469248
7.582287
6.335058
7.777137
5.442068
11.371625
9.420154
9.558925
8.529442
8.384480
9.911046
8.394695
9.980878
6.445463
5.707648
5.127430
4.943587
6.261742
5.938856
8.296594
5.579714
5.200919
8.173421
7.533876
6.395901
6.319361
6.516511
7.096484
5.315302
5.092761
4.978256
5.000229
5.307978
7.788400
7.332575
5.888684
6.322413
8.424162
4.842631
5.424680
5.274651
7.687445
5.730232
8.581637
6.964888
7.191092
8.259972
6.206442
6.800211
6.439238
5.317621
8.233360
8.196127
7.879833
6.355373
5.918226
7.533143
5.417234
8.577731
5.473998
5.543092
5.762459
7.246513
5.477905
6.000259
5.992203
4.977035
8.427458
8.591281
8.695288
5.901624
6.820475
4.841166
6.079485
6.575472
6.132710
7.968093
6.414579
5.499634
5.069689
5.542726
6.185690
7.135792
7.466613
5.828135
5.333857
6.289087
6.210715
6.673254
4.955794
8.732398
5.564699
5.837168
4.841044
5.947768
6.260765
5.616947
8.219565
7.861156
7.744575
6.656529
7.094775
7.442320
7.942091
7.808664
7.538759
5.048814
6.925825
6.927656
8.321741
6.386746
6.853191
7.467101
8.254112
5.962539
6.553743
5.756111
7.613224
5.903088
7.140797
7.831004
7.031785
6.018326
7.020066
6.696448
5.222037
6.979659
6.672277
4.891705
6.910810
6.491607
5.585086
5.235954
6.360012
6.330714
7.706732
6.628941
5.849376
6.125874
5.799814
7.780099
6.493805
5.756355
5.067248
7.744209
6.772134
8.242271
8.427702
6.135273
6.142354
5.001328
7.813059
7.895825
5.116810
7.348933
7.866161
7.494934
7.174245
6.114521
6.410550
5.432615
5.881481
7.250420
6.069231
7.922559
6.603305
5.308344
5.406247
6.629307
6.170675
6.657140
7.968581
5.336787
7.886792
8.318445
5.598025
6.419828
7.242973
8.294397
6.395779
7.996048
5.721442
5.262322
7.706854
8.632420
8.057817
7.512146
8.504608
6.481719
8.340907
4.999741
5.548952
5.723273
8.321986
8.394375
7.692083
5.183706
5.311762
4.991195
8.707984
6.011979
5.036607
7.368099
5.020615
5.284539
4.831645
8.657811
6.706091
8.415128
6.544465
8.313196
8.140828
7.243461
8.525117
6.240013
6.676672
8.680517
8.076250
5.171010
7.711615
4.780740
7.740547
7.158132
8.535615
5.121937
4.797586
8.055376
7.323664
6.362575
5.347896
7.870678
5.653325
7.854198
6.356594
4.859478
6.920454
8.184896
7.034593
7.234306
7.027146
7.525697
4.929548
6.367824
7.720405
6.657994
6.102924
5.362789
4.952010
7.554628
4.768654
6.863811
6.638585
6.391140
5.766976
5.986709
8.193808
7.862255
5.249016
8.240074
8.209189
7.676580
6.948897
6.312891
8.659886
8.107868
5.414670
7.606876
6.006363
5.473876
5.576540
6.383206
5.571902
6.422636
6.026139
8.403043
5.566897
7.894848
7.380184
5.934584
7.137501
5.644536
5.107044
7.003464
4.811991
6.186911
8.188681
4.758278
5.721686
7.052293
6.991501
6.830241
7.968825
8.218833
7.727119
6.558992
6.519196
8.420408
5.451933
7.923200
5.373196
6.773751
6.185720
9.111347
5.296533
8.697272
8.947890
7.943831
7.115802
5.593539
6.671941
8.674444
7.897565
8.337642
8.592654
6.376644
6.608463
9.079730
7.152181
9.135273
7.175130
6.042528
7.057085
6.416318
7.129353
9.184835
8.858043
8.492920
7.216391
6.606388
5.427152
7.799783
7.336634
5.572054
7.710425
7.093463
8.200064
8.025987
6.126514
5.291040
8.065783
6.474548
7.991073
5.864666
5.942671
8.110340
5.337794
6.665227
8.626347
9.054460
5.514313
8.050279
8.946059
6.589663
6.925123
6.192923
8.599002
7.262413
8.299188
8.444090
8.943983
6.725166
5.855266
5.624912
7.132160
7.197470
6.741035
6.124683
8.948744
8.418210
9.120258
6.676458
7.739235
5.965499
5.283593
8.689825
8.798715
8.819224
6.158498
7.011185
8.594974
6.039232
7.591037
7.990463
8.204459
6.437925
8.777596
7.726051
6.332575
9.117695
7.219321
7.365444
7.296228
8.752449
8.575198
8.335322
5.340968
5.484893
7.788430
8.375851
8.670660
7.317957
7.861431
5.255272
8.561159
6.870312
8.654302
9.039201
8.937147
8.377316
8.081042
5.788614
5.782998
6.806833
8.080554
5.563997
7.765603
6.969192
7.734596
5.608188
7.442717
8.491699
7.910260
5.584017
6.432554
8.538453
5.800577
5.742103
7.919294
8.144642
7.738258
8.892834
7.868633
6.044725
6.657903
9.057878
6.331233
5.867595
8.582400
7.677587
6.204886
8.572634
6.506653
8.246574
8.834117
8.004746
6.055834
6.254448
5.819987
5.440092
5.291040
5.307276
8.416623
9.000748
9.039201
8.302118
5.887127
5.808878
8.120594
6.532044
6.197806
8.761238
7.851299
7.596408
6.420835
5.792886
8.192251
8.989395
6.224418
5.511139
7.922590
6.244682
7.823588
7.068438
7.211997
6.508850
7.766701
8.155141
8.965590
8.420286
7.933210
6.982864
5.317408
7.166219
7.116413
8.135975
5.647862
5.596713
8.569216
8.164541
8.499023
6.266655
8.882946
6.794748
5.763344
5.282617
7.580050
7.631809
5.521760
6.830027
6.790353
6.229545
5.904096
7.254967
8.389889
5.402615
6.348201
7.574923
5.974410
7.655614
8.632817
7.294641
7.045366
8.604007
6.058641
6.402646
6.779611
5.263573
9.153584
8.420286
8.762703
7.080767
6.274590
7.382534
6.055467
7.580294
7.485199
7.622410
5.974044
8.505737
6.079516
7.235313
7.953963
6.326716
6.131764
6.098193
5.875286
8.988662
6.441588
5.318262
8.225944
8.778695
5.255516
6.986160
7.472137
7.185507
8.134877
9.109394
8.018540
5.624912
7.348109
8.599612
8.126942
5.908246
7.161336
7.190878
9.171651
6.327692
7.402310
9.161519
7.606052
5.233909
7.673070
5.735267
7.014847
5.981246
8.584964
7.039140
5.626865
7.114093
8.393918
8.488403
8.664556
7.671728
7.407315
8.478149
8.903821
7.484100
6.541078
8.254021
# Label of molecule (26)
0.772116
# Number of Instances of molecule (27)
5
10.541936
8.984922
9.557058
10.600623
12.545592
9.012538
11.268001
9.166056
10.576645
8.889733
8.662761
10.019275
9.355269
9.911293
12.582185
10.734059
11.623461
11.002976
11.483692
11.665286
11.748021
8.943007
11.074697
9.571435
9.894401
12.363866
10.623828
10.057919
10.884442
11.597337
12.429013
11.941793
11.938900
11.166311
11.518908
10.668599
10.015823
9.910229
9.076482
12.064006
9.988768
10.425702
12.414783
8.671053
9.305001
12.502469
11.636868
10.188926
11.385217
11.704547
12.353492
8.574125
9.410418
11.469855
9.044513
10.588532
8.119968
12.544535
9.538205
8.322670
10.313075
12.095175
10.805638
8.945182
10.469960
9.123569
10.649940
9.524446
10.327001
10.266708
12.150623
10.292087
9.720935
9.973493
8.161193
8.739469
10.333784
11.595697
8.486713
10.036559
11.768624
9.368424
9.626989
9.379469
9.216805
9.246924
11.862815
8.470543
11.143502
10.020454
10.979997
11.738650
11.985127
8.948826
12.120476
12.315444
11.821581
9.881440
11.203377
11.756476
8.754466
9.560726
8.856469
12.233347
11.220535
8.898151
8.885215
9.423979
11.609166
8.995217
10.969670
11.654011
8.996826
12.347474
9.416278
9.979235
11.549200
11.971780
12.430752
12.378205
10.008492
9.882297
8.559812
10.322551
9.537860
12.478604
11.165311
11.113326
8.995714
10.257917
11.668786
8.366145
10.517802
8.882170
9.003917
12.628254
10.899966
12.638986
10.390160
11.462526
11.596926
9.672705
10.323208
10.427648
8.837023
11.046875
9.580534
8.740334
11.968531
11.370624
9.867654
11.263372
8.700085
12.194187
10.421179
11.556483
10.993079
10.861602
11.934891
8.827456
9.599715
9.168373
10.928015
9.215010
10.833759
9.998233
9.425974
10.362354
10.815762
10.407467
10.628316
9.988897
8.565631
9.315639
8.128103
12.329806
8.898567
9.682373
11.309839
9.489887
10.878352
9.879254
10.765851
10.201408
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6.130436
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7.016572
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5.638722
9.089145
7.224464
6.122257
6.808557
8.417493
5.376141
7.080660
5.293130
7.276101
8.431654
8.249031
5.643605
5.596728
6.214789
5.155797
7.140965
7.869015
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6.173162
7.520859
8.318735
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9.261269
7.210547
6.000427
7.519883
5.415937
6.502884
8.457778
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8.772485
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6.211859
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6.841884
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9.232704
8.649312
8.727195
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8.164922
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6.674764
6.693197
5.722709
6.790368
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7.559679
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7.711051
9.095004
6.355663
6.604328
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6.956023
6.128605
8.947905
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6.793909
5.692434
7.841914
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8.725486
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8.217902
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7.832148
8.587420
7.189550
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6.889248
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8.360485
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7.921628
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7.700186
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6.855922
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7.880245
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8.940458
5.725639
7.454329
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5.920713
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7.605823
8.814112
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6.942473
7.436018
6.098697
6.112125
6.020325
5.988220
7.992431
5.598560
5.300455
9.070833
7.095187
9.043123
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6.924284
5.697317
8.915799
5.456709
5.488571
9.141881
7.724235
8.015992
5.568407
8.117191
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7.447493
6.272408
6.754479
7.855586
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7.100192
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9.053621
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6.267647
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6.663930
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7.557390
9.078188
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7.232673
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8.182897
6.481918
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5.834559
7.646016
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7.056154
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8.189734
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6.057100
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7.785791
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6.606433
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5.837611
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6.720573
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6.121555
6.651112
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5.891324
6.502426
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7.592181
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9.149113
5.331004
6.857906
6.608875
6.216651
8.955138
8.198035
5.630085
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7.916044
7.073977
5.548784
8.468429
9.040590
6.400250
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6.801752
5.843593
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5.869106
7.113285
5.989959
8.277627
9.072085
8.996399
8.741264
8.186560
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5.547807
5.474075
8.072542
6.588122
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6.569323
5.588824
6.979614
8.820734
7.452284
5.320017
6.232887
7.784082
8.906796
6.254006
8.687307
9.063417
6.037568
7.934477
9.234687
7.042848
6.256081
8.166417
7.583636
6.721732
6.926084
6.887020
6.782891
6.506760
6.975036
8.785028
5.580218
8.592029
6.269204
7.546831
8.715567
6.614551
5.757591
5.019410
4.991699
4.951781
8.560656
6.917661
5.925810
8.130589
5.873440
5.589251
5.398694
7.916715
5.956084
7.146916
7.328440
4.958983
5.584368
6.842708
7.741783
7.863369
5.335704
6.560472
7.620197
6.570238
8.087619
6.299112
6.892636
6.913999
6.100375
7.523515
7.953215
7.234687
8.062105
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7.076113
7.920988
7.468825
7.798669
6.105380
6.757378
7.715659
4.911252
6.791803
6.950987
5.274422
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8.153783
6.712699
6.331706
4.947142
5.236213
5.269173
6.262612
6.982604
5.644673
6.178259
7.316477
5.665059
6.224647
8.824458
7.887051
5.641011
6.267251
4.969237
6.745293
8.581774
7.612384
7.232246
7.606647
6.329997
6.024445
6.373699
7.409986
6.541673
8.217750
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6.904721
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6.326701
8.242897
7.813684
5.475356
5.425550
8.054659
8.439314
7.977020
6.764824
7.196234
7.415967
7.241523
6.140782
6.449995
6.645924
6.466353
8.339579
7.314524
7.197089
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7.068545
8.525376
5.959380
6.299966
6.483932
6.376019
7.480300
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6.560839
6.241371
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7.269356
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7.245674
8.117649
5.037111
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5.336680
8.759880
5.354991
7.802698
6.656545
5.151128
7.138737
7.668294
7.966521
7.259590
5.757591
5.271126
7.002136
6.770562
7.058657
6.998596
7.633137
7.741783
7.880337
8.773186
6.702445
8.342509
4.936033
6.476730
7.420606
5.054201
7.938200
8.772332
6.189001
8.707877
6.839534
8.698599
5.728904
7.730064
5.067751
8.414045
5.388806
7.978362
8.626209
5.464125
5.508072
8.534165
6.936705
6.946471
8.708853
6.833796
7.300851
7.950163
6.993103
8.510117
6.852107
8.642933
5.520157
7.318918
7.875942
6.381756
7.937712
6.527512
8.371319
5.222907
6.143101
7.139470
5.730369
7.204047
7.349315
6.328410
5.409803
7.775353
5.330699
7.460158
8.469344
7.754479
8.723136
5.073977
5.852077
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5.253548
6.200964
5.283212
8.434187
6.776055
7.392285
6.659719
6.025788
5.984405
4.834223
7.807703
6.380413
5.682272
4.923948
8.481674
5.041017
7.481765
8.681265
6.481979
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8.806391
5.370128
5.762963
7.006897
7.074892
8.709098
6.409345
6.831355
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8.354595
7.183172
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4.828120
6.715873
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6.891293
6.622608
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7.410108
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7.419019
6.090365
8.057588
5.627949
5.453871
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5.583392
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5.603534
6.089022
6.212317
8.062593
7.361644
6.356243
7.962127
8.169652
8.547227
4.979003
8.046358
7.183782
7.917325
8.669790
4.884884
5.934843
4.936766
6.848567
8.056368
7.236885
# Label of molecule (27)
0.809376
# Number of Instances of molecule (28)
3
10.518734
9.025473
9.655378
10.746614
12.499195
9.136366
11.410852
9.382889
10.383812
8.893235
8.484187
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12.476842
10.455328
11.619313
11.065543
11.497805
11.712165
11.764706
8.987531
10.951657
9.649132
9.713265
12.349104
10.451928
10.118511
11.013842
11.816304
12.404047
12.245167
11.957007
11.242541
11.606520
10.938827
9.892831
9.793056
9.087197
11.800288
10.080687
10.297408
12.447353
8.804568
9.218208
12.610151
11.571760
10.172821
11.770333
11.236954
12.348645
8.101447
9.884039
11.833458
9.071235
10.484220
8.399851
12.114330
9.423154
8.725243
10.093447
12.278798
10.954542
8.656220
10.585168
9.482415
10.387768
9.151359
10.557521
9.692158
11.872485
9.834912
9.818063
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8.152985
9.060044
10.377456
11.407435
8.746081
10.020735
11.595249
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9.444532
9.159983
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12.521225
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10.099953
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8.669181
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10.694235
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10.287642
11.201189
12.240990
12.250581
12.742537
9.731137
10.294393
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9.986638
9.441475
12.786997
11.208593
10.935133
9.420934
10.113185
11.512244
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10.491410
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9.337871
12.176583
11.076996
12.759789
10.298738
12.056531
11.302987
10.090320
10.157413
10.505224
8.665797
11.007940
9.708049
8.687236
11.468639
11.068529
10.103816
11.395772
8.484956
12.375611
10.417277
11.433040
10.499573
10.729068
11.653196
8.869800
9.552298
9.415379
11.215833
9.631312
10.742548
10.157006
9.778033
9.923440
10.762112
10.345962
10.793592
10.293011
8.789287
9.495591
8.512592
12.503407
8.608142
9.909750
11.358197
9.631753
10.647648
9.522269
10.896295
10.163757
8.855353
10.841274
8.738902
10.918444
9.583287
12.176023
11.786271
11.769384
12.272657
10.670871
10.762919
8.921655
11.064537
11.197675
9.138656
8.886896
12.003300
9.110483
10.221398
9.941880
12.188216
8.843121
9.523313
8.970019
10.389503
9.634094
10.310549
10.277258
9.823221
10.382612
8.961376
10.428421
11.170852
11.383029
10.461926
9.620625
11.430476
11.022767
9.563893
11.206773
9.283309
11.017604
10.698072
8.983419
5.937837
8.939197
11.359955
10.444903
8.655039
8.316136
6.095165
7.486424
9.569947
8.353979
7.771943
7.112142
5.846491
7.833746
7.369447
6.950339
10.060434
6.102564
9.366303
7.421139
6.378032
8.294995
8.700267
5.502290
8.601432
10.165758
6.928873
7.649465
7.547906
8.705907
8.665887
8.045277
7.254023
10.528853
10.737010
7.549561
5.239976
7.522696
9.055554
8.370213
8.851562
8.451464
7.622414
8.194613
5.824269
8.550120
5.517225
8.523119
8.051919
6.724550
8.775510
6.578749
8.068320
7.420864
7.689851
6.327708
6.721152
6.011536
6.941130
8.729881
6.955168
6.607624
7.884884
9.276894
8.447645
8.206183
8.981231
8.232429
9.141881
6.087710
5.529099
7.993286
9.295694
7.097629
9.289468
8.192022
6.961516
9.213050
8.632588
8.073733
6.271432
8.821802
9.179113
6.520585
5.400800
9.088168
8.806909
8.100589
9.087924
8.777245
6.900601
5.513962
8.582537
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5.718314
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5.898862
8.672750
7.750725
5.774590
9.249916
7.801019
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8.533586
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6.032533
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6.081606
7.953612
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8.721091
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5.873592
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6.866298
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6.281686
5.649831
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6.344066
5.749931
6.365917
6.664754
6.360912
9.146275
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6.359325
7.576037
7.561022
7.344340
7.559313
8.105106
7.731925
8.214850
8.570208
6.500076
7.864498
8.076785
8.234504
7.991455
8.228278
7.772332
8.178472
8.721580
6.899380
7.708853
7.645985
7.845943
9.029084
7.221656
6.292795
7.376446
8.007691
8.866482
8.317270
5.642018
6.904874
8.516495
7.301004
8.241096
6.556108
6.139470
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6.361156
8.674459
6.129215
8.415906
6.341258
8.358531
6.066713
7.653798
8.350841
8.376720
6.786218
6.723350
6.061464
5.596973
6.620319
7.877194
9.185095
5.942686
8.701193
7.728751
8.754662
6.244575
8.189459
5.570482
7.022919
7.367779
8.310068
7.403302
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8.986480
8.065554
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5.468551
6.382397
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7.469100
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6.425733
5.480026
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6.371044
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8.521867
9.086825
7.818476
6.672323
7.480453
7.314920
6.415357
8.136113
6.329295
8.674703
6.146550
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6.213202
7.420637
9.307047
7.169164
7.726188
7.159276
9.152745
9.098788
6.106021
7.335429
6.108219
6.364086
7.671865
9.116001
6.402661
6.356761
5.377728
9.047639
8.010254
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5.359539
6.863491
8.771142
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6.476638
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7.306742
7.677969
8.060915
6.769494
6.426832
5.840999
7.829096
8.116581
8.581683
6.711020
5.840144
8.580462
7.760369
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6.569292
7.134007
6.185614
6.189398
5.641408
6.726646
5.363323
7.404035
8.862453
6.887417
9.062899
6.337718
7.866207
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6.962813
6.836589
8.264367
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6.504425
5.678961
6.866375
9.366939
9.390500
8.983871
8.646702
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6.017106
6.827921
8.506073
8.942122
8.943098
7.382260
7.882519
9.325434
6.589511
9.048204
6.525544
9.024400
7.206839
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6.709021
6.497589
6.926313
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6.466338
6.855998
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6.771401
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8.249474
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9.399167
6.023209
8.260094
8.441496
5.647954
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7.322687
5.611209
8.250816
6.649693
6.560701
6.939497
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6.960005
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7.334773
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6.775796
7.402280
5.961806
8.686010
8.315271
8.794534
6.798135
5.676641
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6.728187
8.344691
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8.600925
8.787454
6.626499
8.978622
7.246513
8.929548
6.355617
7.299982
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6.691443
9.054430
8.878155
7.517640
8.133015
5.531739
8.269494
6.816324
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6.159810
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7.454283
8.705298
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5.995987
5.845103
6.590976
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6.729408
6.461455
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7.288873
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8.870586
6.094012
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5.516358
7.447935
9.266472
7.834544
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8.715430
8.119221
5.737190
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7.375057
6.970748
8.636204
6.917524
7.538636
8.979232
7.276055
7.012619
7.443663
9.471191
8.097613
8.189535
8.255821
6.635411
9.223258
7.745796
6.331935
9.461303
7.841136
7.252007
6.319239
8.791238
7.363582
5.992935
6.465361
7.368709
6.732582
8.588473
5.514527
6.750771
8.249596
7.667669
6.564119
6.964278
6.303491
8.475066
7.257866
8.778909
9.372311
8.279748
7.689398
6.471709
5.672491
9.464843
9.392331
8.960189
8.833476
7.171072
8.790750
9.176260
5.967910
6.371731
6.485504
7.558290
8.518159
9.249626
7.752510
5.534791
8.248863
7.755806
7.625797
6.875652
6.765297
6.222922
7.941603
6.785195
8.927717
8.906842
7.719428
6.612705
8.540864
9.334101
6.252953
6.055071
8.691504
8.328822
8.287561
6.726844
9.108875
5.594485
6.657872
6.971847
6.924116
7.724677
7.762764
5.792611
7.203421
5.519410
7.249687
7.771676
5.628422
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6.860271
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6.361721
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6.847453
5.649419
6.004410
6.815592
5.792489
6.846599
8.762551
8.165853
7.586734
8.437101
7.866283
9.239494
8.653539
9.405515
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7.261284
8.236045
8.184896
5.919568
8.766701
6.617954
5.911023
8.272423
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6.491363
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6.945601
5.849498
6.911054
5.773080
7.686102
8.776833
7.014451
8.569063
7.597720
# Label of molecule (28)
0.817226
# Number of Instances of molecule (29)
3
10.424970
9.044698
9.546598
10.531141
12.413114
9.078338
11.481260
9.217083
10.521211
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12.684879
10.766978
11.595017
10.989835
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8.853542
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12.443904
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10.802104
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10.016005
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12.365539
8.851844
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12.425422
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12.301036
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12.198174
11.474372
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11.241664
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10.334628
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12.283153
11.316830
11.146411
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10.185589
11.449743
8.667041
10.551164
8.683357
9.476623
12.250763
10.849261
12.493404
10.075476
11.967132
11.639748
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10.274098
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8.658172
10.731836
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11.446797
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10.082955
11.220575
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12.739243
10.653253
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11.322205
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10.318512
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8.406714
12.166932
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9.970264
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11.857127
12.069606
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10.686015
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11.168520
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10.050683
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10.267656
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10.335192
10.689383
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10.584025
9.427405
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10.745609
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11.069697
10.533386
11.932742
11.760099
12.183327
7.360035
10.677863
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9.070466
6.193148
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10.023588
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6.459371
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10.271982
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8.662553
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8.628890
8.030555
6.394034
9.962807
11.678363
7.715898
5.871908
9.278633
8.083056
7.986165
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7.179354
5.670491
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8.145575
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8.158570
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6.976791
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5.790841
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6.830058
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6.433805
8.762368
6.190756
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8.020875
8.523576
# Label of molecule (29)
0.806847
# Number of Instances of molecule (30)
5
10.388555
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# Label of molecule (30)
0.576404
# Number of Instances of molecule (31)
3
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5.294290
6.869045
6.121830
5.196753
7.995300
7.645558
7.456832
# Label of molecule (31)
0.597606
# Number of Instances of molecule (32)
4
10.366531
9.121449
9.685195
10.524113
12.341530
9.003861
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4.940214
6.570757
5.322916
5.088900
7.274270
6.753136
# Label of molecule (32)
0.552267
# Number of Instances of molecule (33)
5
10.505444
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6.424467
4.838725
7.389096
8.358730
7.407041
# Label of molecule (33)
0.597608
# Number of Instances of molecule (34)
5
10.378093
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5.666341
# Label of molecule (34)
0.609591
# Number of Instances of molecule (35)
3
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7.888989
8.487518
7.883374
5.587039
8.548921
6.643101
# Label of molecule (35)
0.535663
# Number of Instances of molecule (36)
4
10.481006
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5.802149
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8.582507
6.618702
6.873959
6.040437
8.742302
7.860073
# Label of molecule (36)
0.584797
# Number of Instances of molecule (37)
5
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7.463393
8.456832
8.431562
5.519730
7.770165
6.380352
7.671651
8.558153
5.938322
8.820978
8.713797
7.402234
8.229041
6.272195
5.665853
8.929502
7.198737
8.917539
5.173406
7.203009
5.721152
8.167760
8.374554
5.772668
7.968413
8.943052
7.752220
7.905057
6.729118
6.569933
7.261361
7.617573
6.437605
8.171911
8.103793
8.393475
7.287729
8.426679
8.526048
6.450301
5.809656
7.565447
8.016633
5.439283
5.280709
5.489944
8.275796
7.448256
7.348155
7.881252
5.334910
7.184698
6.237892
6.175390
5.197699
6.213843
8.923521
7.282723
5.381298
6.126194
6.631947
6.921751
6.730094
5.509354
5.059755
6.448469
5.878018
7.600116
6.675405
7.049806
8.734794
7.490982
8.482101
5.181585
7.369396
5.766198
8.617359
7.122196
8.668630
5.443312
5.162664
6.519028
5.142766
7.092654
8.540208
6.802484
8.255776
7.013916
6.868648
8.341227
6.651845
5.339793
5.656941
6.214942
5.659017
8.947325
5.207953
6.480697
6.437117
8.045198
5.107974
6.803583
5.152409
7.319590
7.177252
5.332469
6.548570
6.507065
6.257302
7.691427
8.292520
7.272958
8.207923
7.963042
6.467391
5.269723
8.490524
5.540117
6.590442
8.249916
6.713126
5.719077
6.527696
7.107547
6.510361
5.909513
7.683737
8.727103
8.135166
7.338023
8.838557
5.508744
7.135258
6.116672
7.008423
6.450911
6.491928
7.556413
7.705710
8.660817
7.594378
5.595050
8.970763
6.170751
7.423963
7.219733
5.553667
6.933836
7.325938
7.754662
5.618854
6.873898
8.741020
8.892148
6.347636
7.865749
5.273141
5.340526
8.815119
8.519822
6.469100
7.964751
6.514756
6.646352
6.681997
5.292795
7.907376
6.274514
6.397809
7.266121
7.366955
8.101352
7.396985
5.105655
8.901669
8.244911
5.126408
7.171270
5.021790
8.177526
7.658834
8.687185
7.133061
8.713309
8.611499
7.210700
5.825526
6.926023
7.401502
5.717734
5.438673
8.871395
8.212806
7.180181
7.273568
8.988098
7.047975
6.510605
5.828578
5.055116
6.241432
7.750023
8.433760
7.577898
5.808557
8.370769
6.658193
8.479049
7.005860
6.574206
5.867031
7.968535
5.476638
5.453688
5.299997
8.470016
5.358592
5.900479
7.050295
6.474837
7.726218
6.126072
6.315409
7.202521
8.744194
7.678610
5.297555
8.939146
8.908139
5.823939
7.126713
5.932340
8.744682
8.170934
8.182409
8.714530
8.347942
7.412610
5.188910
6.731193
6.127415
8.060701
7.459243
8.149815
6.141575
5.045839
6.661611
5.721274
# Label of molecule (37)
0.600169
# Number of Instances of molecule (38)
3
10.469193
9.060634
9.569254
10.480057
12.535486
9.017042
11.260455
9.380106
10.526154
8.844641
8.743695
10.001772
9.328103
9.794657
12.537085
10.668076
11.540778
11.225336
11.385843
11.495827
11.696362
8.879612
11.094567
9.505032
9.963065
11.992331
10.277982
10.099120
10.559955
11.743631
12.005008
12.034591
12.160863
11.473162
11.242541
10.964144
9.782680
9.531292
9.129005
12.056168
10.236690
10.290200
12.272704
8.737187
9.150037
12.687872
11.135270
9.739666
11.321530
11.577322
12.538120
8.428443
9.887886
11.830878
9.243558
10.918424
8.333629
12.170463
9.748195
8.460951
10.085279
12.434484
10.787428
8.904114
11.023079
9.337658
10.459975
9.141704
10.549422
9.916518
12.227641
9.862510
9.985293
9.908710
8.117578
8.701533
10.711621
11.424248
8.654770
9.826200
11.868225
9.053530
9.627393
8.990640
9.763462
9.359345
12.374343
8.493246
10.805923
9.883997
11.208504
11.095961
12.268091
9.093494
11.630624
12.579034
11.812925
9.986549
11.102160
11.472863
8.847873
6.955461
6.753739
8.706285
11.352887
6.307831
7.779227
8.761397
9.436661
8.760631
8.270517
10.198550
7.825950
11.690359
7.665151
8.609235
9.358956
10.965164
10.490598
10.100817
9.221097
7.327367
8.988147
7.957696
7.279735
9.267350
9.563183
9.663280
9.332651
10.008377
9.354343
7.037589
8.449847
7.071821
8.016470
12.726881
8.317500
9.478988
8.959789
8.377828
8.203177
7.127078
8.675935
9.930430
8.649516
8.165537
8.137474
7.666386
8.653765
10.865226
9.562816
9.984576
6.107907
9.767997
10.696968
8.464731
7.673288
9.179933
10.403726
7.513492
8.445384
7.655624
10.444976
8.392806
7.860013
7.069385
6.790729
10.090631
8.925152
9.410663
7.663109
7.023323
8.864419
9.434598
7.333753
12.190352
7.008197
7.209203
10.065595
6.751708
7.490890
7.721255
8.056748
7.453434
7.760647
9.054596
8.735469
8.763780
8.025031
10.730354
9.562049
10.629849
9.214180
10.233665
9.395746
8.321867
10.491267
9.757936
7.926289
5.897222
9.836825
9.211870
9.599425
8.170838
11.078842
8.260205
6.585939
7.334867
8.652783
9.369716
9.822369
9.037398
8.530850
7.341286
7.004017
10.527543
9.540111
11.155194
9.846277
9.285688
8.736307
7.799707
8.400712
10.473305
8.696291
10.284724
10.110292
12.049532
6.223606
8.831443
9.733421
8.037915
6.980174
7.138144
6.120192
9.490087
11.400240
7.506779
6.701479
7.328258
7.924927
9.336180
10.528170
8.613834
10.200579
8.313793
11.046074
6.415893
7.694718
7.774569
10.474932
7.803691
8.388156
10.177468
7.782589
7.438675
6.892619
11.994952
7.553450
5.557482
5.847974
9.584012
8.272884
8.184790
6.596271
7.582270
8.147006
6.284674
6.989672
7.459908
8.186651
5.498095
5.725158
8.427687
5.437428
9.619348
8.250723
6.709389
6.901469
7.100750
9.265993
8.875966
9.525379
5.662282
5.431684
5.013092
5.458174
5.700369
7.208106
8.452895
5.581347
7.612781
6.574664
5.384808
5.716849
5.230018
6.611164
7.911008
6.328440
7.906613
7.389019
8.062868
8.250862
5.931333
7.087008
5.771172
6.692831
5.150914
7.101169
7.985351
8.420667
8.177984
7.020112
7.314310
4.995636
5.560106
5.343425
6.568438
8.942045
6.286203
7.817621
5.572314
5.718192
7.001923
7.263161
8.628315
8.369762
5.312418
8.769433
5.000885
7.735221
8.545183
8.131962
8.802759
5.082430
7.349345
5.406659
6.650716
8.050050
5.505905
5.455733
7.473251
8.767113
7.323344
7.361919
6.839442
5.028962
5.994812
6.583453
8.187017
7.402570
6.291086
7.728019
5.323893
5.135411
8.964141
7.816767
8.578387
5.745293
6.236518
7.917600
6.971770
5.164220
7.753410
5.019074
8.791040
7.312479
6.367748
6.022645
8.933256
5.976257
7.138279
7.725822
5.399701
7.866939
8.913724
8.673727
5.313150
5.732597
5.875790
8.752342
6.832728
8.401624
6.421216
6.398999
5.343059
8.629048
8.751854
5.304727
6.292550
7.623890
6.552202
8.484512
5.052644
5.130406
8.128056
7.588610
8.178838
5.939634
6.379833
5.332438
8.441908
7.704947
6.988617
6.917936
8.009888
8.938017
8.186041
6.321604
6.152532
6.058657
7.487045
7.325541
5.844295
6.375561
8.757714
5.165685
7.640858
5.869808
4.993316
8.671651
5.203528
6.660726
6.184271
8.773827
6.848476
7.023286
7.640736
5.253212
5.492721
6.838099
8.154546
5.608570
5.374920
5.344401
5.372112
7.914182
7.923704
6.073061
5.752739
5.546800
5.149571
5.834407
8.487808
5.653737
6.935881
6.635823
8.756371
7.238136
6.602741
7.403912
7.691519
6.736534
7.118992
6.386059
6.432569
8.964141
8.338511
7.107395
7.638050
7.301370
5.634083
6.756920
5.835017
6.998505
8.305918
7.878170
5.979308
7.471419
8.136479
8.239998
7.601184
5.465743
6.471145
5.761895
5.912168
6.962615
6.196234
5.369060
7.248390
5.701102
4.989532
8.651997
6.224189
8.193976
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5.205115
5.971740
7.109348
5.877132
6.522538
8.841823
6.896084
7.879269
5.319987
6.940153
7.524644
6.182684
5.164464
7.875851
6.221259
6.018006
7.281472
5.093539
7.069552
6.659383
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8.169439
6.352611
6.089053
5.636891
6.439894
7.514756
5.937071
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5.344401
5.612964
7.068575
8.398450
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7.138157
8.194098
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7.348491
5.075228
5.879574
5.026521
8.363414
7.084445
8.328623
7.936888
5.501755
8.670797
5.313761
5.915220
6.967376
5.224158
6.631184
5.255898
7.043672
6.799402
7.453352
5.375652
5.911924
5.513718
8.956206
8.348766
5.179968
7.438337
8.593036
8.121097
8.497452
6.854091
8.393811
8.279550
6.630085
6.752159
7.661489
7.250587
8.373180
7.450301
8.442152
7.803583
8.672750
7.201758
8.143803
8.813898
7.821192
6.744377
5.836634
7.296030
5.645589
5.539628
6.763054
6.551012
6.074923
6.156835
5.376537
6.131687
8.244911
7.545793
7.850978
6.078707
8.098300
5.418043
5.675619
8.857479
7.768700
8.383465
6.755730
8.412519
8.738823
5.390698
6.721793
6.213477
7.145634
7.348643
5.825526
8.169225
7.611103
7.800562
6.797601
6.283059
5.969451
5.529862
7.039186
6.926145
5.268868
5.970061
8.526902
5.602130
7.421644
8.293008
6.802118
6.080294
8.876888
7.053713
6.421613
7.769066
6.692618
7.264168
8.244545
7.208136
7.381726
5.771569
7.929106
5.552690
8.904355
5.816004
7.017090
7.924223
8.185705
5.644124
7.978057
6.503525
8.531419
8.050935
6.588855
5.241523
7.316660
7.726829
9.026429
6.061861
6.323466
7.285165
7.043336
6.430280
9.101627
6.843501
6.607532
8.167516
7.727195
6.034394
7.375500
7.377209
7.336924
7.321909
8.377606
5.368847
6.807611
7.496963
5.289132
6.445173
7.961699
6.227515
6.662099
6.433210
7.670186
6.538926
6.493271
5.832484
5.228828
8.097934
8.502976
7.454970
7.383190
8.178014
7.499283
8.432539
7.376965
7.177252
7.204840
6.465926
8.398846
5.568072
7.917386
6.192358
7.802515
5.150334
7.382946
5.543779
8.475509
5.484085
8.254067
7.973174
5.731285
8.377850
7.509293
8.422529
8.099887
5.305490
5.208441
6.908689
8.391156
8.629444
7.959502
5.600909
7.408216
5.501297
8.469893
7.265389
6.682485
7.319468
8.560228
6.952391
8.608692
5.614216
7.013672
6.800897
8.351726
7.240120
7.635395
5.834315
7.903226
7.745262
8.899106
6.624378
8.661550
7.796899
6.553453
6.697134
8.909238
7.537370
6.565538
8.555345
6.564318
7.742210
7.774194
8.194006
5.581133
8.660817
7.629902
7.982818
6.372784
7.409803
6.395489
5.790124
6.633290
8.797052
7.182867
6.225440
8.932798
6.449812
7.200446
5.872280
5.460768
5.122990
5.586505
6.390118
8.294351
9.062319
7.203986
7.357555
7.561907
7.295785
7.770409
8.732109
5.883999
8.732109
7.699728
6.803583
7.459731
5.936491
8.029084
5.513382
6.177221
8.463057
7.807276
7.017212
7.124027
8.615406
8.318644
7.363292
5.868862
8.512619
7.518448
5.164373
7.893460
7.335337
6.053682
5.136540
8.546556
5.625690
8.244911
8.379437
7.897122
5.517289
7.404187
7.274178
8.861263
7.769921
6.864132
8.873959
8.976501
8.483688
6.092257
8.661061
6.200293
8.368694
7.267220
6.546617
9.107242
5.443068
7.689474
6.986938
7.858547
8.037019
5.404981
7.092776
8.321329
6.975097
7.412976
6.604968
5.710288
7.814722
7.835475
7.613300
8.128697
6.013642
5.422926
5.891324
6.381573
5.901700
7.770287
5.724326
8.439131
6.332743
7.619404
8.104282
6.921506
5.891446
6.621937
8.166417
5.984100
6.529649
7.938993
7.743919
7.974761
8.506516
# Label of molecule (38)
0.555400
# Number of Instances of molecule (39)
5
10.482599
8.946830
9.511165
10.498658
12.454068
8.975061
11.372922
9.119088
10.401445
8.792605
8.542345
10.072771
9.326474
9.780503
12.458494
10.655336
11.517610
11.044270
11.358278
11.959742
11.553473
8.871665
10.882940
9.820933
9.894652
11.888483
10.638874
9.880969
11.005593
11.842551
12.184849
11.957719
11.983826
10.999896
11.717755
10.969988
9.968043
9.604511
9.026479
11.512146
9.978394
10.208501
12.427793
8.847276
9.006911
12.670389
11.225894
10.123850
11.748778
11.530792
12.258483
8.441351
9.885279
11.841342
9.110232
10.990437
8.153539
12.156142
9.379121
8.235531
10.225894
12.201761
10.473274
8.542441
10.643626
9.093146
10.104471
9.227086
10.077323
10.139101
12.023436
10.256206
9.885711
10.054364
8.348407
8.683633
10.604774
11.019112
8.465600
10.256426
11.602670
9.205541
9.707768
9.127921
9.240754
9.832738
12.373340
8.292820
11.091334
9.662706
11.126310
11.704880
12.250548
9.233277
11.662612
12.385226
11.426900
9.940215
10.995533
11.876215
8.521963
6.572288
7.392246
10.163539
9.545482
6.646673
6.130814
6.845893
8.504496
6.362365
9.409572
9.946814
7.101386
9.591636
7.255115
8.390731
11.001250
11.474189
10.753524
12.437141
8.623196
9.069393
6.286459
7.811124
7.132799
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4.869289
5.924497
6.188299
5.424360
6.613117
7.469955
6.241279
8.385388
7.794061
7.685049
6.594562
5.719535
7.757195
6.668538
6.999969
8.402356
7.957762
6.984344
5.264077
7.011322
8.513688
5.105625
6.984954
6.182806
8.218146
8.102420
6.685995
5.498337
5.389447
5.445357
4.723655
7.675527
6.930509
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6.343577
4.938017
6.975066
6.702841
7.260475
8.441908
6.494583
6.941618
8.135502
7.629749
7.241188
5.603809
6.328440
8.390759
7.401349
5.579028
# Label of molecule (39)
0.551142
# Number of Instances of molecule (40)
4
10.614466
8.927631
9.660158
10.520472
12.529295
8.995524
11.314675
9.377971
10.293370
8.707647
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12.739005
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11.509824
11.873609
8.858852
10.902856
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9.812284
12.305942
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12.185583
12.363784
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11.420700
11.234365
10.463533
9.673205
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12.094745
10.256956
10.026687
12.349472
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12.529763
11.667767
10.303891
11.735426
11.593527
12.243289
8.227767
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11.248964
9.253392
10.747523
8.470854
12.270386
9.744403
8.398751
10.372161
12.051237
10.585678
8.501579
10.485334
9.035032
10.564233
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10.392323
9.740469
12.270703
10.234895
9.794136
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8.383647
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10.645059
11.461166
8.358637
9.922991
11.402824
8.992159
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9.230602
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9.774122
12.428710
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10.898065
11.690403
12.616058
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12.103565
12.466842
11.765764
9.791749
11.296381
11.707697
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11.962424
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11.425082
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7.892752
11.456662
6.287240
12.110566
9.349731
7.208699
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9.540013
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12.374253
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9.990213
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9.584551
9.162137
12.312696
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10.923173
6.829430
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6.489237
9.354196
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7.398070
10.521834
8.775445
11.159853
8.766648
8.536116
9.162450
8.215981
7.338752
7.402281
8.176015
8.140638
9.716523
6.558104
8.839241
11.549619
10.064168
10.497069
8.532520
12.805879
10.660227
8.222968
9.302512
8.557875
11.643125
8.311173
7.806973
8.007179
8.494531
7.194102
8.427676
7.024003
9.266306
10.091788
9.986904
10.588706
10.584134
8.973254
6.501162
7.561232
8.648217
12.445726
7.559203
7.702506
10.455341
7.784745
10.075848
7.224264
10.285547
9.425613
7.557988
9.017635
8.565278
8.125133
8.298520
10.060316
11.749659
11.560713
11.820754
8.449497
8.261513
8.760059
9.692836
8.511697
8.894073
7.708409
10.235119
8.910237
8.593029
8.202242
10.376774
6.164979
7.873105
7.346987
7.382613
7.348650
8.959075
7.471220
9.333970
8.673536
6.380695
10.504879
10.803440
9.646631
10.420291
9.006356
11.343392
10.724709
7.013966
11.473675
8.934350
9.872263
10.729632
11.785980
5.948792
8.972021
12.426979
7.851300
8.123282
6.808181
6.596867
8.745368
8.779907
10.075577
6.091745
6.283893
6.711353
8.829492
10.500539
7.239852
8.404455
7.544603
11.169758
5.813708
7.590458
7.724774
7.861274
5.582854
7.422715
10.562215
6.996128
9.448007
8.598978
11.924341
9.764052
8.269912
7.713268
8.557546
9.873384
8.586713
6.995425
8.879536
7.842697
8.062194
8.090067
5.991954
5.712739
8.296255
7.917175
7.764882
7.422509
9.457158
6.981890
7.494955
6.683979
5.910173
9.162639
8.237389
10.198395
8.424070
5.859050
6.762398
6.250175
6.441832
6.908032
7.916608
5.001236
4.874035
5.454863
7.810526
6.487365
6.846263
6.292779
6.846507
7.073199
7.802835
5.557283
4.775155
4.757820
5.961715
7.526826
8.176870
5.955489
7.667455
5.352565
6.279717
4.893078
8.017563
6.593081
6.488464
7.500702
5.137349
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6.999344
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6.760323
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6.665471
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6.866894
6.855052
8.147572
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6.874096
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7.692083
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6.373440
5.872448
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6.884686
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6.628819
8.662206
7.389706
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8.425504
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5.351360
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6.512040
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6.483108
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5.902524
8.500137
7.351787
6.563311
8.772118
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6.146794
6.573077
7.499741
7.008393
6.964324
7.230934
8.232185
6.823450
7.990967
4.992950
4.811914
7.945189
5.366131
6.179998
7.870846
5.458419
7.909543
6.585894
6.200629
5.997375
5.001984
4.901028
7.148900
6.946135
6.711631
6.534501
6.440992
7.475082
6.034120
6.208441
8.310068
6.788415
7.127537
7.702872
6.803797
6.958464
5.413007
5.121250
5.148106
7.718986
7.418317
8.057863
8.039552
6.596149
8.237800
7.034883
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7.750114
6.485183
5.591235
6.863491
4.901395
6.614093
7.392926
6.688803
5.720023
8.479141
8.741966
7.939451
7.049165
6.015076
4.859401
4.839991
8.339854
6.909391
8.317026
7.364116
8.672628
7.139378
7.990600
8.534440
6.739219
8.254036
6.914396
7.652211
5.160436
7.271340
7.406476
6.332835
6.514969
7.068697
5.844172
8.219733
6.453810
5.139927
5.462691
7.253029
7.276589
8.595721
5.551073
7.369121
5.342570
5.278726
7.423078
6.503494
7.693960
6.874111
7.535630
7.773675
7.263161
5.884457
6.130802
6.717856
8.043580
6.348704
5.776543
5.461348
5.594165
6.176946
8.180548
6.689657
6.255928
6.979095
7.652455
6.299509
6.454421
5.258339
5.590014
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7.462386
4.849635
8.363536
5.979431
6.999237
8.472671
4.972686
6.783776
7.041353
8.278817
6.853969
5.500168
7.217505
5.264565
6.208930
# Label of molecule (40)
0.624679
# Number of Instances of molecule (41)
3
10.477551
9.065266
9.573916
10.623718
12.442802
8.863473
11.339060
9.198509
10.514098
8.708865
8.663802
10.060743
9.479750
9.823529
12.701389
10.598500
11.610221
11.007403
11.700581
11.744688
12.133956
8.689187
10.760915
9.363878
9.821789
12.568704
10.546780
9.965830
10.790026
11.931032
12.256271
12.320883
11.756514
11.413433
11.538174
10.592080
9.671864
9.993773
8.969028
12.069644
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7.508499
4.912229
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4.971801
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6.845759
6.031648
7.717490
5.039308
8.043428
8.425275
6.569628
6.079257
# Label of molecule (41)
0.558741
# Number of Instances of molecule (42)
4
10.405657
9.037563
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10.621427
12.417354
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8.864986
# Label of molecule (42)
0.548800
# Number of Instances of molecule (43)
5
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6.029084
5.208625
7.525346
# Label of molecule (43)
0.603726
# Number of Instances of molecule (44)
5
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# Label of molecule (44)
0.577691
# Number of Instances of molecule (45)
4
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6.934034
# Label of molecule (45)
0.565189
# Number of Instances of molecule (46)
3
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# Label of molecule (46)
0.607763
# Number of Instances of molecule (47)
5
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5.791559
8.873440
# Label of molecule (47)
0.583367
# Number of Instances of molecule (48)
5
10.501834
8.964615
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8.618503
# Label of molecule (48)
0.598614
# Number of Instances of molecule (49)
4
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7.