# Number of Dimensions
30
# Number of Examples
60
# Number of Instances of molecule (0)
5
10.458547
8.946969
9.583231
10.640193
12.480079
9.088748
11.236416
9.269049
10.440868
8.660786
8.719080
10.052885
9.333747
9.797969
12.619582
10.377443
8.150140
7.008396
10.904591
9.861109
8.353796
7.629785
8.270853
8.943526
6.024523
10.398009
9.750055
7.952056
7.028443
8.921835
6.788934
7.764183
6.727653
7.688620
7.405042
9.272774
7.488540
7.213630
7.308603
5.953337
6.423078
7.870144
8.567064
6.169042
7.384045
8.874447
6.760002
7.151982
6.700674
6.972167
6.998901
9.329539
5.927335
8.385296
7.375134
8.485885
8.711112
9.531938
6.713858
9.134709
9.726005
10.696371
11.237526
8.635029
9.119541
8.541276
11.456771
11.000824
8.831935
8.559832
9.178381
11.211280
8.875759
10.252388
10.862392
8.790185
11.959349
9.000153
9.722465
11.021088
11.443709
11.579211
11.912351
9.581591
9.728813
8.508560
9.830744
8.951323
11.944212
10.611286
7.498215
8.838588
5.993896
7.584277
6.289071
6.661641
9.458724
8.134831
9.631458
7.587817
8.877529
8.655477
7.201575
7.598315
7.786309
6.071047
8.055605
7.067415
6.252083
8.796838
8.522660
7.463301
8.497024
6.059938
9.530015
7.883969
8.639729
7.994812
8.230171
8.805383
9.131260
10.736045
9.171667
10.261544
9.673757
9.226356
9.778130
10.262764
9.951720
10.426588
9.663381
8.521622
9.023835
8.142949
11.908444
8.458022
9.512253
10.586871
9.401776
10.212226
9.433638
10.261788
9.902524
8.654683
10.460891
8.688620
10.218818
9.168859
11.488632
11.340312
# Label of molecule (0)
0.909839
# Number of Instances of molecule (1)
5
10.500907
9.115666
9.561475
10.544354
12.512695
9.115449
11.240413
9.334255
10.453519
8.837208
8.521245
10.075853
9.538971
9.967788
12.594176
10.631956
9.103081
8.664205
9.684669
9.079150
10.786505
6.758093
8.207122
6.658042
7.360547
10.300100
7.136257
7.444897
9.366068
8.549265
9.060518
9.069674
5.781976
8.711997
9.139134
8.086123
6.170171
6.714988
6.174688
6.650288
8.877529
7.654958
5.655019
6.338389
5.594470
6.942167
7.995544
7.589770
7.693777
6.124271
8.803064
5.642933
5.613392
7.022126
7.974914
5.591174
8.015931
9.170507
7.008820
8.427442
8.708914
6.769036
7.206183
9.516556
9.802454
9.272774
6.374248
9.278024
7.993194
7.767968
7.135380
7.052370
6.624866
6.781976
6.956297
9.472854
6.481185
9.482376
8.715873
7.930204
7.235969
7.051027
8.777032
7.647359
8.740410
10.176244
7.832057
7.057375
7.520157
6.536485
8.998032
9.290765
7.962233
9.281121
7.982742
5.615116
6.863811
6.043962
5.882702
6.248314
5.794321
5.565920
9.241569
9.137196
9.090564
8.921125
6.054338
6.145772
5.731452
8.062700
8.406095
5.868297
6.098651
5.834483
5.945448
5.557131
8.507904
9.286493
5.570193
8.045000
6.799478
5.634892
9.101794
8.592013
7.598697
6.223655
8.612278
9.083972
7.558779
9.061144
8.499725
6.500641
5.766976
7.982498
9.064440
7.576601
8.274133
9.518189
7.979690
7.545961
7.919507
9.142567
5.739021
9.092029
5.993423
7.641057
7.875927
5.600223
7.108814
7.469054
# Label of molecule (1)
0.947348
# Number of Instances of molecule (2)
3
10.559791
8.964301
9.484693
10.550577
12.355680
9.024046
11.504984
9.327981
10.288609
8.794751
8.700259
9.921062
9.578703
9.961945
12.644783
10.426074
10.860597
7.020192
8.167097
7.760734
8.823863
7.628053
8.103227
6.268276
8.429877
8.823931
8.765034
9.284206
8.579485
7.690679
7.725776
9.168203
7.131520
6.243309
6.610019
6.209861
7.200735
6.563875
7.492248
9.061144
7.786813
9.025987
7.390805
9.230461
8.599948
8.322108
8.073687
9.560915
7.592349
7.832347
7.182913
7.051073
5.783090
9.660772
7.476135
6.450835
6.385403
7.882763
8.060625
7.004563
9.746269
8.970611
8.805811
10.881924
8.880642
8.778466
9.692557
11.096896
11.322245
8.980255
8.021607
10.056825
9.383953
8.329478
10.819788
9.041414
9.405927
10.144475
11.476547
9.216590
8.317026
9.817072
9.506516
9.858821
11.314188
8.095828
11.615223
8.790551
10.533403
8.517106
# Label of molecule (2)
0.916195
# Number of Instances of molecule (3)
3
10.406265
8.922921
9.709777
10.696064
12.384706
8.992844
11.243965
9.434486
10.451891
8.622640
8.563134
9.734433
9.193633
10.061503
12.412216
10.524383
8.261385
8.852165
7.840589
8.140754
9.773683
5.770683
8.134429
7.032633
7.750834
10.768605
9.093625
7.768021
8.082174
10.812641
8.231040
8.756325
9.244621
7.986648
9.181875
6.756752
7.660100
7.917676
9.181509
9.061144
7.092944
7.701849
8.754860
6.984176
6.526887
8.729835
7.951979
8.946638
7.731147
6.910199
7.232597
6.110858
5.858531
7.224662
8.124226
9.322504
8.256676
9.273797
8.027665
8.230064
6.046388
5.960082
8.060488
9.796869
7.217566
9.225929
6.376110
7.376507
9.008515
6.230964
8.877529
7.938902
6.469741
9.262917
9.666250
7.352336
7.908261
6.335459
9.328349
9.219092
8.458327
9.763543
9.720939
7.865780
6.427259
7.040437
7.969298
9.328715
8.789392
8.897061
# Label of molecule (3)
0.848360
# Number of Instances of molecule (4)
3
10.548402
9.128933
9.578742
10.599370
12.498903
8.722643
11.173475
9.030313
10.108901
8.586611
8.643739
9.877978
9.490357
9.650947
12.348713
10.473830
10.073604
7.528764
10.951728
9.295464
9.536374
6.826197
9.227372
8.261614
7.728260
10.115877
6.740207
6.458188
8.514211
10.297166
6.173223
8.469314
8.896084
8.738975
8.808069
9.169652
6.878445
9.255837
6.812891
8.206366
8.877529
7.154332
8.076479
6.448622
5.624256
7.035676
7.955992
7.147862
8.513504
5.664785
7.726493
7.100253
5.468978
7.690237
9.334208
9.018281
8.804041
8.513260
9.329569
8.490310
9.496323
7.540330
6.546037
6.811914
7.203528
8.318796
9.001190
7.607349
7.976379
7.916318
8.877529
8.898892
6.331553
6.851100
9.290872
7.325480
9.376568
8.223457
9.734977
6.607929
6.194586
9.064058
6.385754
8.956023
8.536332
7.895077
7.397748
8.625324
9.690298
9.875851
# Label of molecule (4)
0.819380
# Number of Instances of molecule (5)
5
10.449697
8.975170
9.722736
10.711568
12.372034
8.923220
11.450798
9.095891
10.104005
8.716018
8.328995
9.797240
9.262062
10.103706
12.202057
10.481637
7.916157
9.617471
10.958856
10.220709
7.924213
6.700571
8.760785
7.986461
8.106596
11.504538
8.809505
6.893000
9.940870
10.060454
7.702460
9.290765
9.142933
9.252556
9.392941
6.530671
9.685919
8.268517
9.432493
6.526399
7.221488
7.680853
8.168783
7.069262
6.245628
6.252709
9.430052
8.257897
8.671728
7.340266
8.248497
9.677862
8.613620
7.459288
8.796365
8.572848
7.316462
9.030625
9.906140
8.883282
8.858867
8.333583
8.575411
5.775765
8.977157
5.604373
7.931349
8.736061
7.991653
9.061144
7.161794
8.082598
6.430448
6.785684
6.581820
6.484527
9.001450
7.382382
7.342097
5.762703
8.503388
5.594852
5.898694
9.393796
6.948653
7.914624
7.632633
8.192709
7.272271
8.057085
7.456954
8.636799
7.983825
9.059786
7.713309
8.176580
9.674551
8.158269
8.934660
8.174261
8.877529
9.021943
6.672994
8.971038
8.320872
8.944304
6.859767
9.145726
8.485916
6.429701
9.903928
7.568651
9.765130
9.634144
7.001984
8.447707
8.768639
6.985626
6.034913
7.242470
6.093600
8.988586
9.019715
6.853389
7.995392
6.895016
7.238655
9.518876
7.202033
8.122837
6.113865
8.466842
9.134098
7.241707
9.379833
6.334330
9.289621
6.273537
8.942198
8.527879
9.531327
9.184149
6.723624
9.601520
9.584429
6.366558
5.657186
8.814997
7.119144
6.993164
# Label of molecule (5)
0.818908
# Number of Instances of molecule (6)
3
10.553160
9.080958
9.516045
10.522171
12.452647
8.845477
11.268899
9.115103
10.300208
8.967966
8.748247
10.085967
9.340411
9.895245
12.584387
10.333124
10.235991
9.245001
7.650203
7.955705
8.045201
7.521665
9.464925
8.964871
6.555255
10.614628
8.718092
7.521500
7.454757
8.182702
7.202200
9.290765
6.177755
8.482879
7.571963
7.835398
9.200552
7.184011
5.765633
8.841166
7.956374
7.372250
6.715979
5.836924
7.925611
8.711402
7.737129
5.859142
6.975265
9.503174
5.891980
6.671667
9.612186
8.559786
9.350948
9.134754
8.415738
9.662847
6.617344
9.096789
9.379269
7.067675
8.945540
7.714179
7.564394
8.753151
9.227287
7.018235
6.712561
9.061144
5.675298
5.863048
7.890820
6.308252
9.270257
6.510773
8.262902
7.236747
7.436705
6.248436
8.893414
7.921705
8.236290
6.447539
9.543947
8.827738
6.736366
7.210746
8.337123
8.387906
# Label of molecule (6)
0.868965
# Number of Instances of molecule (7)
3
10.361058
9.087081
9.539174
10.752371
12.433752
8.815788
11.491026
8.996460
10.276959
8.801431
8.794648
9.995286
9.623183
10.091161
12.370924
10.729236
8.993329
8.738988
8.751362
7.540960
8.226857
8.297549
8.387140
7.634125
6.833389
10.112171
6.762013
7.167028
7.769346
7.455932
8.264229
7.540330
6.223395
6.197272
7.547044
8.672689
7.178381
6.244270
6.042360
7.004181
8.877529
9.300150
7.424116
8.670736
7.810724
8.633503
6.127201
6.870388
8.766442
8.218574
7.630543
9.929685
8.266305
8.406446
8.888394
9.548448
9.586291
6.463637
7.284707
6.100833
7.911939
9.290765
8.213706
5.558229
8.994980
6.483551
9.310663
6.768349
7.219291
8.974837
7.801096
8.192465
6.828043
8.556368
7.804758
7.354793
6.243187
6.641148
6.626499
7.137623
6.036027
8.266076
5.378292
8.889874
8.046709
7.275445
6.188620
7.403256
6.024552
7.558901
# Label of molecule (7)
0.846245
# Number of Instances of molecule (8)
4
10.524920
9.123071
9.483884
10.717004
12.515073
9.039121
10.958242
9.457970
10.488655
8.654635
8.497292
7.938358
8.013315
9.834955
12.402027
8.039001
10.803480
8.359395
8.318969
8.066803
9.010887
7.229819
8.428742
6.145267
7.600786
8.073055
7.452280
6.522854
7.499997
7.475455
5.887326
6.577654
6.050539
7.553270
8.642903
7.325846
7.061068
7.615894
6.811670
6.612079
8.877529
6.857448
7.653859
8.846889
5.941771
7.955504
7.667531
5.898679
5.858150
6.447890
6.467421
6.092166
9.377544
7.226600
5.842647
7.791437
6.248054
6.554582
6.869778
8.944182
7.818430
5.825449
7.063890
6.397244
8.545259
9.176748
7.930494
9.412595
6.200461
9.061144
8.489837
8.403775
5.856700
6.550081
7.845653
6.316553
6.883099
7.559755
7.416562
6.562532
6.761025
7.036668
6.357326
8.200522
9.080309
8.728370
7.847728
9.640629
8.589084
7.915235
8.739448
7.044450
6.687750
9.784524
9.209677
8.246147
10.193594
7.670934
6.762459
8.591372
8.339412
9.929792
7.001236
10.156240
6.359737
7.868572
6.384762
6.748177
8.456114
6.366573
9.980453
7.279321
8.656072
9.743019
8.396786
9.724586
7.539583
7.149068
6.772713
9.040727
# Label of molecule (8)
0.748725
# Number of Instances of molecule (9)
3
10.499363
9.119189
9.712431
10.630932
12.186904
8.789914
11.508069
9.411250
10.220652
8.875755
8.304617
9.633194
8.639186
7.683192
11.129344
8.194272
9.028381
9.024768
8.256197
9.553886
8.378530
7.196440
7.380610
8.050495
8.171354
10.736327
6.669526
7.232006
8.664351
8.932810
6.258919
8.146184
7.771050
7.547411
9.091403
5.716910
6.842311
8.065859
9.133885
7.004181
8.877529
7.712699
7.502853
5.909909
6.189703
7.782037
7.320109
7.107578
7.374554
5.668569
7.459883
7.776788
8.553301
5.676504
8.882900
7.203894
6.140385
7.881283
8.930387
8.125553
8.785852
7.519700
5.760979
6.431776
6.492203
5.734977
7.989685
5.986938
6.364757
5.295999
8.877529
7.927915
7.555956
6.641255
5.380840
5.294412
6.609882
8.133610
8.344188
8.223579
6.397717
7.231483
8.430494
7.694510
8.638874
8.528031
6.576434
8.329539
5.382061
6.530534
# Label of molecule (9)
0.710767
# Number of Instances of molecule (10)
4
10.665049
8.979400
9.756179
10.255151
12.695237
9.016732
11.132373
9.396770
10.332518
8.816519
8.307412
9.001673
7.625532
10.072241
11.283615
8.726700
8.205073
10.462347
9.710307
9.045348
10.506728
7.135454
9.134762
6.480508
7.423978
8.861469
6.620866
7.016624
9.561888
9.550525
7.733222
9.290765
5.488647
7.892895
8.509003
6.073504
9.147572
5.873058
8.820048
7.454772
6.528840
7.782785
6.584872
7.958815
8.820658
6.542634
6.451201
7.708686
8.800027
7.048753
7.841990
7.732368
6.453398
7.068651
5.868664
7.792184
5.652715
7.098315
8.988388
9.113025
7.426801
6.535783
6.186773
5.832392
7.337077
7.559130
6.881130
6.683859
6.843287
8.925016
8.877529
8.583819
6.807154
6.082156
5.765984
7.406659
8.471755
6.183966
8.221992
6.076540
8.945158
6.081057
6.563738
5.650990
8.551836
7.839534
7.365764
8.364940
5.925779
6.155522
6.057863
7.381512
6.325571
8.368114
5.151341
6.516739
5.356914
5.031587
8.212104
8.588336
8.877529
6.071413
8.513382
6.063112
7.097934
8.159856
8.862758
6.718284
6.310556
7.592700
8.522172
6.321299
8.384472
5.560900
4.997528
5.835444
7.315470
8.382275
6.569475
7.522019
# Label of molecule (10)
0.680354
# Number of Instances of molecule (11)
3
10.558758
8.937392
9.628469
10.566139
12.431341
9.123711
11.550859
9.076909
10.433384
8.817549
7.621873
9.712971
8.257885
8.426688
11.883304
9.725137
9.966611
7.975796
7.709871
8.186439
10.611732
7.134685
7.686762
9.054700
8.250413
10.746250
9.605793
7.871924
8.057958
9.402883
9.089465
9.279778
5.911390
6.187277
9.750740
6.827677
8.208945
8.872051
6.084124
9.061144
7.165578
6.701453
8.875103
6.088763
6.579989
8.517670
7.929151
8.592868
7.523133
7.296930
6.128681
9.199820
5.984024
6.814371
8.012650
6.905072
7.477355
9.049059
9.253899
9.429075
7.135411
6.099124
8.337107
6.959746
8.054140
7.795465
9.050386
6.432875
8.287790
6.686422
8.877529
5.671743
7.920957
8.157903
5.946165
5.988647
6.164190
7.665456
8.730430
7.920469
6.098148
9.042207
7.884213
8.329905
8.940031
8.861538
8.035829
9.248268
8.209174
5.730094
# Label of molecule (11)
0.733874
# Number of Instances of molecule (12)
5
10.533471
9.050952
9.666929
10.504114
12.532342
8.836348
11.079597
9.368979
10.655465
8.626262
8.501690
10.122202
7.670090
7.137388
11.466662
10.146282
8.607303
9.225415
9.830333
10.926871
7.736372
7.396038
7.434715
8.514410
8.328347
9.993820
8.847208
9.411256
9.923919
9.209147
8.932112
9.290765
8.890118
7.852245
5.626591
6.516999
8.689795
8.283654
8.106647
8.144124
5.584841
6.578768
6.968429
6.488311
8.735084
5.539552
8.370327
6.861126
7.203909
5.923841
6.214866
7.777413
7.935743
8.086871
6.387844
7.124805
7.473083
7.522279
5.924940
7.669378
8.003250
9.290765
8.652684
7.428037
7.516663
9.208243
8.709204
6.500885
8.397061
5.858287
6.069842
6.459624
7.174123
7.417539
9.271355
8.292566
7.935377
8.631565
8.343593
6.236351
7.446837
9.211295
7.224662
7.106494
7.328303
9.189810
8.916120
6.524079
8.158040
6.615024
6.158208
8.729331
8.958708
7.951353
8.682821
7.356975
9.146825
5.589831
6.013062
6.507950
8.877529
9.329814
6.831202
8.062807
9.032319
7.939268
6.872829
7.545213
9.076876
8.228339
6.985626
6.705832
5.911863
8.065615
9.242409
6.066774
8.466384
9.293802
5.982665
6.801782
6.624180
9.290765
5.308588
8.910871
5.336299
5.944227
8.862774
7.210990
5.900769
7.121021
5.976699
5.771371
7.370174
6.248924
6.846599
6.734169
6.847209
6.973678
8.842021
8.575900
6.480255
5.929456
5.794687
8.812357
5.513306
6.471099
8.030473
5.601444
8.266808
8.741920
# Label of molecule (12)
0.743668
# Number of Instances of molecule (13)
4
10.501197
8.934888
9.585666
10.442422
12.467148
8.853353
11.035789
9.485832
10.341618
8.560709
8.448817
9.728158
9.228055
8.987294
11.642706
10.493433
7.437733
9.516313
10.581992
10.518702
11.199521
7.867475
8.872536
8.652897
8.707500
8.206111
8.448258
8.708747
9.925790
8.870541
7.722190
5.846400
8.297403
6.655751
9.562456
9.272774
8.896786
6.978027
7.552385
8.631642
7.904080
9.518265
7.746605
7.653829
6.990356
7.269051
8.065584
8.923276
9.247017
8.636402
9.441969
8.041169
9.265328
9.363720
7.927152
8.531297
8.115024
6.387921
9.134587
7.363414
8.077822
6.652608
7.819514
8.361766
5.672597
7.303751
8.399976
8.676595
8.543901
7.743095
8.877529
6.604877
7.825007
7.921323
9.077853
5.662954
7.589648
5.732902
9.040376
7.213172
6.184942
5.616688
8.785241
6.326914
5.526719
6.898953
7.978332
8.577715
5.728996
5.754265
8.512741
6.724845
7.952910
5.621052
6.365215
9.272774
7.298227
7.649922
5.830164
6.243263
7.972686
9.514359
8.963317
6.776727
9.551103
6.972167
9.335032
8.546434
8.114658
7.561541
7.551164
8.797540
5.705405
6.400494
5.735191
6.127659
6.679678
5.917692
6.345683
6.885006
# Label of molecule (13)
0.703314
# Number of Instances of molecule (14)
5
10.476509
9.049844
9.566473
10.682191
12.522345
8.861489
11.164628
9.073328
10.532829
8.864014
8.349340
9.190670
8.305232
8.585896
10.444204
8.458787
9.395215
9.993058
7.961075
7.648482
9.060472
7.385842
9.615069
6.041882
8.361237
8.321593
7.157955
6.135063
9.040251
7.458473
9.289621
7.129398
9.265816
7.542375
9.083682
7.042360
8.824885
9.518876
7.907498
5.979095
8.141881
7.838282
8.186071
7.793481
8.614795
9.096255
8.557054
5.930998
9.789026
8.946715
7.784692
8.259804
9.032289
8.960143
9.415357
6.797601
7.139653
7.814966
9.050600
8.713797
10.274239
9.141026
10.565142
8.979766
10.136418
9.200720
9.409101
10.967986
10.501053
10.046571
9.211463
8.215583
9.888363
8.062258
8.768456
10.846400
8.121220
10.016785
9.457076
11.304178
8.676778
11.581286
10.847987
10.398267
8.778832
11.745231
11.247902
8.683004
11.108615
11.504624
7.098193
9.290765
8.834819
8.495087
9.138050
8.968123
7.622868
6.394559
6.931806
6.137471
6.395901
6.522980
8.064409
7.306207
7.067064
9.875744
10.012833
7.659978
10.063982
6.529939
8.935286
7.267144
9.878796
6.877850
7.201712
6.182394
6.548494
9.193594
9.542482
6.822550
6.986007
9.290765
7.010300
8.292932
6.671789
8.228843
9.135853
8.050493
8.892926
7.058031
7.849071
5.808969
7.266778
8.003250
5.898816
8.779397
5.393185
5.760384
7.982131
5.516236
8.080889
9.389401
8.231651
6.338282
6.314600
6.103168
8.633030
7.082568
5.841685
7.333552
# Label of molecule (14)
0.706425
# Number of Instances of molecule (15)
5
10.509623
8.897582
9.698727
10.548784
12.357895
9.053286
11.558811
8.955969
10.087253
8.060681
6.573572
8.159102
8.398307
9.132811
10.818284
9.220675
8.729006
7.504838
9.735485
10.751167
10.083561
7.046862
9.577450
8.717740
6.965460
10.873448
7.948873
9.289292
7.712768
8.726250
9.026399
6.652791
9.888852
6.504959
8.102176
6.571123
9.390179
9.011750
7.947386
8.011109
7.844722
9.793634
7.003143
8.549455
6.925504
10.102237
8.267830
9.077670
6.673544
7.952513
8.564104
9.165685
8.291269
9.966002
7.704581
7.353252
6.273873
8.830714
9.930601
7.248268
7.126957
7.430433
6.036470
6.411481
5.423536
9.272774
5.517045
8.995544
8.468795
8.467940
6.631214
6.662709
7.202399
8.584765
7.298715
8.194128
5.414624
6.440291
8.568896
8.160802
6.700552
7.400891
6.602161
8.205603
8.312662
8.611866
8.988220
6.939940
6.287942
7.032228
6.180074
7.106128
7.537416
8.436735
8.027909
9.203482
9.131581
6.533357
7.296808
9.061144
6.841960
8.019486
9.019395
5.958388
6.179464
5.673833
8.871075
5.856944
6.045427
6.592685
5.812632
8.638401
7.901929
6.908856
8.631199
6.271874
8.276574
6.126240
8.752785
8.786721
6.073260
9.290765
5.771493
8.839457
5.974624
6.708167
7.660222
6.993454
7.413144
6.619663
8.700903
6.091449
7.107227
5.734016
9.338618
7.378353
7.711859
8.375698
7.170705
6.444609
8.147786
5.660283
7.304865
9.381710
6.829264
8.600192
7.050462
7.554506
6.165670
8.012894
# Label of molecule (15)
0.619743
# Number of Instances of molecule (16)
3
10.476682
8.914137
9.296998
10.281848
12.546148
8.969270
11.353361
9.461444
10.243708
6.385463
8.197184
8.351357
6.909016
7.185030
12.908497
8.214956
7.315110
7.410135
8.385306
8.866644
9.218212
7.371606
9.679574
7.885707
8.607299
8.127210
9.726531
7.973542
7.545897
10.483046
5.931166
8.762917
7.116504
5.938124
8.122639
7.971267
9.457518
7.240043
6.253807
9.061144
6.595004
8.513276
9.048814
8.377407
6.113544
7.652409
9.214225
7.441221
8.497772
9.278924
6.490387
9.681402
6.162374
9.343745
6.631260
9.503052
7.101245
7.003830
9.188467
9.065538
6.713004
7.885159
7.613788
6.679189
5.826868
6.212256
6.302835
9.518876
9.092837
7.614887
7.586932
7.743187
7.820093
9.403516
8.923399
7.507584
8.735038
6.326273
7.196661
7.174322
8.968322
8.488693
7.186895
6.603137
5.972625
6.608997
5.654988
6.715690
7.244881
7.984283
# Label of molecule (16)
0.580647
# Number of Instances of molecule (17)
3
10.438733
9.005664
9.455324
10.365436
12.234005
8.922541
11.506401
8.864159
8.839389
8.433591
7.804834
8.777112
7.182661
8.645195
10.472651
10.720271
8.351140
7.954874
10.097518
8.185516
7.859693
5.328777
8.499112
5.990595
8.777979
9.885869
9.582806
8.209061
7.116282
7.390544
8.953352
9.290765
6.648717
5.624393
6.670568
6.732215
8.385220
5.630741
9.259514
8.859844
7.194754
5.578860
5.992447
6.282495
7.034959
7.890088
8.604099
8.591769
7.531190
6.631748
7.583804
7.703558
6.642369
7.310968
5.807627
6.819742
7.600284
8.471038
8.878887
6.880535
5.689535
8.518479
7.027100
6.937864
5.771935
8.583178
5.966277
9.518876
8.827937
7.126469
5.753624
9.224189
7.127079
6.036592
7.888211
6.150609
8.162267
7.211188
7.517472
5.912442
8.130772
9.337596
8.790826
6.371807
5.753014
9.291330
7.485366
9.173406
7.801172
8.025910
# Label of molecule (17)
0.591025
# Number of Instances of molecule (18)
4
10.569375
9.126168
9.617649
10.371280
12.672554
9.088794
11.366967
9.055268
9.891434
7.291003
8.824420
10.028773
8.837038
7.872651
12.738142
8.362362
8.193466
8.841036
7.418083
7.340798
8.149271
5.746250
9.204579
8.322714
6.278041
8.156618
8.889746
6.538736
7.389593
10.341528
7.968947
9.290765
6.039445
6.274926
7.320490
8.754128
6.600375
7.997879
6.980026
8.226524
7.285699
7.351131
8.800150
5.571657
7.199393
5.875988
7.197317
8.763161
9.205313
6.216819
8.807840
8.611667
8.532197
6.313990
6.760414
8.767067
8.183432
7.308283
9.442015
7.367855
5.558428
6.644398
8.366497
8.879452
5.792444
9.272774
7.301401
8.395672
5.871303
8.796197
7.678121
8.330973
8.332682
5.901578
5.932340
8.515793
7.805811
5.865932
6.630970
8.333781
8.104404
7.971465
6.013886
9.101138
8.937193
7.194586
9.342479
9.158269
6.110446
6.544053
6.883572
8.206610
7.484909
5.935789
5.638661
7.164220
7.029084
7.948180
6.523331
8.440382
8.877529
8.564165
5.229347
6.638447
8.016175
6.748314
8.567461
8.932707
7.433515
8.966765
8.997528
9.170385
8.600177
7.755058
7.776666
5.248756
6.753197
7.997620
6.599872
6.140385
# Label of molecule (18)
0.717441
# Number of Instances of molecule (19)
3
10.374435
9.094801
9.618103
10.479973
12.167907
8.978749
10.323962
8.510570
9.517651
8.236966
7.110428
8.306669
7.843368
8.850010
9.908521
10.190368
7.299251
9.020205
7.285525
10.104303
11.149702
5.415158
6.862242
8.533124
6.299286
10.529989
9.950605
7.831338
8.395002
10.571655
8.198675
7.979308
8.116031
8.430494
8.995819
7.385296
6.415174
9.524155
7.569140
8.454787
8.877529
7.967223
7.637257
6.931181
7.265297
6.839381
5.949705
8.802698
9.241676
6.299203
7.765557
6.656026
9.312479
7.607715
7.604663
6.837672
9.480819
7.642506
9.647938
6.292245
7.848415
7.645405
8.194006
6.713126
5.999481
9.272774
7.878079
6.928709
5.461379
6.560411
8.599414
8.082919
9.150578
5.459059
7.785424
9.343089
5.495071
8.534349
7.213019
5.920255
8.600635
6.259743
8.139073
5.530107
6.688711
6.114231
7.141240
6.345317
9.185247
6.358501
# Label of molecule (19)
0.503478
# Number of Instances of molecule (20)
3
10.520741
9.030794
9.517466
10.276548
12.381533
8.838647
11.384172
9.418269
10.352369
9.000551
6.560020
8.117206
6.828633
8.945850
10.044520
8.187087
7.990282
9.050920
8.383006
7.871602
10.804356
5.317331
7.503314
8.928150
9.160809
10.617258
7.850586
8.075161
9.577298
8.928535
8.424635
7.344890
6.777978
8.975311
5.496811
8.265450
5.568957
9.053194
5.608509
7.911191
8.877529
5.465926
6.779687
5.570666
7.952330
7.780206
6.888333
6.279916
6.515763
6.075320
8.837123
8.328562
6.099490
6.758324
5.525987
5.475326
6.871487
9.025849
7.504807
5.251320
6.745766
7.290094
8.815531
7.929029
8.010697
7.656072
6.778726
9.078112
9.196768
9.061144
8.749245
9.437376
6.187155
6.989669
5.969375
8.032914
7.593936
7.622990
7.620548
6.071795
6.862590
7.532777
6.595248
6.444487
9.182119
7.084033
7.762520
8.873272
8.074175
6.925581
# Label of molecule (20)
0.634961
# Number of Instances of molecule (21)
5
10.575822
8.996226
9.558058
10.568647
12.137439
8.686960
11.574593
8.967393
9.627079
8.791653
6.877830
8.102403
9.737994
7.842123
9.771646
7.972290
10.230474
8.673107
10.416898
8.799039
8.837397
8.041967
9.336135
8.974178
8.029581
9.263386
7.741879
8.928800
8.389278
7.411454
7.711570
8.898740
9.333201
6.144871
6.607166
9.272774
6.510483
7.976348
9.858974
8.783380
8.041047
7.892972
7.874416
6.567492
9.651448
6.131199
8.156896
9.129948
9.085513
9.878262
7.372936
8.991760
8.980895
8.056917
7.131596
7.829981
9.393750
9.790124
6.848628
5.985443
8.095157
5.234596
5.800165
5.977172
5.668691
8.565752
7.278481
5.848506
6.101566
6.173345
8.877529
6.840846
6.528825
5.094699
5.565050
6.080935
6.630024
7.699637
8.494217
5.955199
8.885220
6.776269
7.566576
6.831324
5.540391
8.109073
6.645772
6.460952
5.661000
6.423231
8.644063
9.572192
9.900449
11.073214
11.567003
10.840785
8.099734
11.108249
10.748863
10.242744
9.318644
9.563890
10.895718
10.684042
8.359264
9.175939
10.207587
9.868221
11.877438
11.748527
8.821436
11.819819
8.632954
8.813135
10.964690
8.898831
11.390851
9.969054
10.195379
8.184088
7.058809
8.053102
9.888852
6.035218
8.799097
7.098727
6.901456
6.592364
7.844478
6.601520
7.713004
8.883206
9.315958
9.304971
7.554430
5.971496
8.277474
7.714835
6.677450
7.298074
6.366527
8.060671
8.294443
7.276833
9.135777
7.747307
7.164769
6.572954
9.479781
8.175298
# Label of molecule (21)
0.569773
# Number of Instances of molecule (22)
5
10.604950
8.981703
9.782300
10.649050
12.659456
9.221438
11.262289
9.056863
8.455815
6.996451
7.040378
8.989105
7.569003
7.732592
11.087220
7.922766
7.854213
9.709615
9.436339
10.846576
7.936113
7.455966
8.120598
6.342527
9.032314
9.659088
6.827323
9.395686
7.324760
8.138341
6.252709
9.290765
9.209708
8.994491
5.809336
6.893963
6.822916
7.298395
8.870830
6.497589
5.837535
7.420957
5.761727
5.970717
6.129170
9.185659
8.999741
7.039354
9.067614
8.762551
6.129780
8.600803
5.988296
6.385281
8.052690
8.685400
9.345088
6.153218
6.719031
7.442930
6.464843
5.924299
9.837138
8.662175
8.474181
6.648564
6.453490
7.454741
6.212027
8.295343
8.325495
7.497833
9.747536
6.943251
7.812784
8.509705
8.806589
8.196219
6.577883
7.692907
6.045396
8.184500
5.995224
6.637089
8.815744
6.214713
7.240989
9.309534
9.296472
9.443205
10.952483
10.031312
10.306589
10.217597
10.691488
10.656331
11.222022
8.801050
11.850093
8.006470
10.260689
11.556871
8.209479
8.964385
8.985504
8.442396
10.173528
9.105136
9.570360
9.535936
10.478103
9.385907
11.147435
11.127293
11.394391
11.483261
10.833827
11.894894
11.298685
8.153569
7.786157
8.295572
8.149815
7.587176
7.391614
9.272774
6.894162
6.810419
5.324046
6.409040
5.393384
5.368114
7.046510
5.983856
7.132084
5.800623
7.108646
7.637837
7.014161
6.905515
7.295175
8.748589
5.648152
9.016175
7.265755
6.456160
7.311167
8.366741
5.562090
5.711386
# Label of molecule (22)
0.569126
# Number of Instances of molecule (23)
3
10.480504
9.133913
9.703207
10.866281
12.392115
9.133259
11.460601
7.563943
8.131850
6.956628
8.377435
8.211984
9.032010
9.204135
11.652663
9.207274
10.359648
7.400230
8.717792
8.340685
7.582600
5.858122
9.063729
8.734532
9.125774
8.337732
7.141735
6.527837
9.180925
9.344658
10.213813
8.765404
8.654683
9.642140
9.937559
10.695883
11.892209
9.620289
10.580523
8.935209
8.508927
11.122898
10.997894
8.967681
9.242470
11.398663
9.241615
11.814081
9.860164
11.235450
10.312204
8.191412
10.814417
8.476089
9.558031
10.353343
11.981323
11.900388
8.099490
10.482498
7.734916
5.600330
7.704154
7.051790
7.196692
7.356487
7.409589
7.520310
6.404065
7.844172
8.877529
6.158940
5.390606
8.625446
6.458632
6.768822
8.555010
8.107486
8.171819
8.092837
8.099063
5.640126
6.543962
8.768151
6.116581
6.292856
7.538133
7.646657
7.703177
7.185949
# Label of molecule (23)
0.585418
# Number of Instances of molecule (24)
5
10.421457
9.127738
9.615347
10.755568
12.153465
8.710969
11.182200
9.448665
10.581887
8.843663
8.602071
8.108827
9.432215
8.186534
12.054643
9.947216
7.275691
8.039674
10.975986
8.748623
8.874265
6.389293
7.243079
8.696092
8.303731
10.627061
7.995707
6.960054
9.798546
9.571781
8.885571
7.368313
5.993393
6.250725
7.930342
8.666326
9.424894
8.318659
9.593112
6.963027
8.624210
6.599002
9.747536
6.868908
6.903943
8.464782
6.230094
8.435118
7.822672
7.303003
6.812143
8.369808
7.013443
5.978133
7.851726
9.340785
9.378506
9.317957
8.499573
8.737739
6.425672
7.361858
6.412000
5.283914
5.402203
6.878079
7.534715
6.491592
7.960265
7.746635
8.877529
5.840327
8.207831
5.222999
6.711692
7.330729
6.024049
7.140538
7.456954
6.333140
4.968963
6.313730
6.947295
7.738212
7.873104
8.027894
6.063112
8.129948
6.980743
7.990417
8.450163
7.042039
6.213157
9.806406
6.529328
8.453581
6.646031
7.189138
8.167196
9.061144
7.186941
8.116535
6.424711
9.109485
8.534516
7.310114
7.442686
8.057451
6.938154
9.717292
6.288476
8.169637
8.901959
7.348567
7.483825
8.192831
9.252678
7.138234
7.085253
6.495392
9.389935
9.233924
9.226234
11.072970
9.976867
9.764824
11.197851
8.088382
8.863430
9.575732
10.350658
8.276254
10.782311
8.244148
11.279763
11.173559
8.354137
8.698630
11.033174
10.897916
11.873287
11.997192
9.253212
11.673818
10.770714
9.192175
8.682638
9.379437
11.634510
9.656667
# Label of molecule (24)
0.718893
# Number of Instances of molecule (25)
4
10.264171
8.935729
9.584715
10.807740
12.073618
7.410131
9.704174
9.025091
8.806752
8.956952
7.038514
8.998043
9.139217
6.925845
10.761299
7.719681
10.007524
7.315654
10.257668
10.302850
10.924760
7.324760
7.634870
7.593560
8.501173
10.599924
6.992317
8.237710
7.299884
10.314841
6.851314
9.101382
6.255348
6.390362
5.480178
9.272774
8.595996
8.218299
9.278146
7.328990
7.038331
7.350841
7.519059
6.063326
9.031312
6.025605
5.601642
9.027650
5.815027
8.145543
6.202612
5.546953
9.322703
6.618030
5.516800
8.102451
9.101627
9.249214
7.957427
5.954680
9.026795
9.221259
6.780633
7.286019
7.728294
9.272774
9.657308
8.775445
6.903317
6.338847
7.437513
6.929197
6.190283
9.515824
6.666250
7.121586
5.988372
8.059969
6.535997
7.637959
7.799463
7.841212
6.474349
7.951933
8.654714
7.162358
8.754570
6.556749
9.003357
7.821558
6.777490
6.631977
8.832362
5.924924
8.963103
7.229408
5.389874
5.181982
8.167180
8.157170
8.877529
6.945830
8.735923
8.282296
7.030061
7.945738
5.912961
5.535020
6.585711
8.568438
5.368755
8.798791
7.560717
6.072268
7.815363
8.166936
7.547288
8.357006
6.081057
7.443159
# Label of molecule (25)
0.442445
# Number of Instances of molecule (26)
3
10.201224
8.880950
9.490621
10.307497
12.713930
7.523731
8.687905
6.819367
9.105376
8.226581
6.612197
8.078476
8.456997
7.737048
10.090966
7.490405
10.345397
8.321781
9.579244
8.277349
10.028376
8.060051
9.913033
7.152102
6.436872
8.224043
7.362049
7.265948
8.395002
8.917098
6.899091
9.290765
8.349208
7.637638
7.023484
8.332606
7.398129
8.042558
5.666021
9.030747
7.085620
6.069353
7.642399
7.781930
7.507630
6.182272
9.136341
9.197012
8.409879
6.420194
8.464080
5.750130
8.276940
7.387143
9.207144
5.453612
5.976333
7.702216
7.586367
5.927870
6.837855
8.131596
9.888852
6.745933
9.162267
6.820399
8.930692
6.916227
8.376843
7.365703
8.400647
9.213416
9.475021
9.635548
8.406140
8.476821
10.220161
8.567644
9.950499
6.945769
7.348247
8.506363
6.959319
9.435713
10.137883
8.563860
7.862667
7.976684
9.221839
9.379315
# Label of molecule (26)
0.293150
# Number of Instances of molecule (27)
5
10.248979
8.879677
9.535369
10.260180
12.634409
6.608744
8.388841
8.132522
7.613698
7.295294
6.853266
7.909682
6.370014
6.511918
11.748198
8.579818
8.312641
10.350060
7.709641
8.020887
10.792338
7.136128
9.723832
8.443599
8.570936
11.306448
8.446540
8.763241
7.151395
9.007786
9.653691
9.290765
8.707373
6.457671
8.555391
8.434294
6.223167
6.042619
9.137684
7.782296
7.377132
6.323267
8.492767
8.121418
7.291437
9.129139
8.993271
8.126301
8.636570
7.441710
10.004776
6.261132
9.182241
7.839793
8.621189
6.236595
8.811991
6.186178
7.799509
8.896100
7.789010
6.927656
6.249046
5.935926
6.100482
8.148762
7.938795
8.037919
7.216483
9.061144
7.773141
6.598056
5.981948
7.119068
6.781533
5.932142
5.877575
9.411130
7.865429
8.847514
9.420164
7.498962
9.537843
9.526246
8.585055
6.811686
6.123920
6.649205
5.628910
9.469726
9.249092
7.977203
8.396283
9.454543
9.068422
9.272774
6.989624
7.440443
9.290841
6.478744
7.068239
9.551714
8.607471
9.936247
7.412244
9.558306
7.201422
6.865841
8.498093
6.562487
7.833888
9.145817
8.425336
8.318644
7.955962
6.642323
8.305338
9.794397
9.217475
8.971618
10.630818
10.446608
8.863063
8.793847
8.477920
9.797906
11.386822
10.390332
11.551134
9.761406
8.320322
9.433149
8.481948
9.783135
8.038453
8.116092
11.749260
8.935331
9.936216
8.304941
9.452437
10.630818
10.543535
9.294595
11.112156
11.892087
10.101505
11.808344
9.864925
8.049684
# Label of molecule (27)
0.325865
# Number of Instances of molecule (28)
3
10.501133
9.077925
9.835191
10.511951
12.170748
7.099821
10.468053
7.274336
9.123710
7.309798
8.256138
9.779167
6.246094
8.119727
11.812143
7.189163
9.622647
7.320439
8.941634
9.756356
8.584454
6.430079
6.841552
6.323509
7.443997
9.531531
8.831203
7.945517
7.844306
10.417081
8.573077
9.012055
5.957274
9.097140
7.917539
7.664235
5.391583
7.793023
5.724601
6.327403
8.877529
8.828455
8.307199
8.096622
8.362255
8.054384
5.596301
6.235359
6.644429
7.529344
5.731071
6.665914
8.006897
8.693075
8.202094
8.919645
9.090548
7.937437
6.425428
6.923856
8.912824
9.290765
7.010910
8.512665
8.163289
6.734779
7.391293
8.324305
6.525300
6.366359
8.607273
5.693731
8.073199
8.406339
7.935987
7.549135
5.745613
9.068102
6.345729
8.568697
8.872784
9.235466
9.566408
6.042375
8.257530
8.600803
8.400479
8.130940
5.686773
6.639073
# Label of molecule (28)
0.419379
# Number of Instances of molecule (29)
4
10.750526
9.054496
9.279732
10.838302
12.614827
6.474149
10.637059
9.142954
9.139836
8.578979
6.322678
8.626194
8.601470
9.171202
11.104002
9.396473
7.486690
7.425047
10.010488
9.183327
8.138304
8.362190
10.305378
6.759605
8.971743
9.934046
8.192604
6.445836
8.752080
9.118228
9.153920
9.290765
6.976608
9.310419
9.121326
7.414365
9.487304
6.720374
6.131245
7.654729
7.697821
6.990524
6.187155
6.854656
9.471313
8.230918
7.434019
5.728156
6.006973
7.810251
9.209952
6.805216
6.076678
7.312189
8.560518
9.618778
5.658940
7.921583
9.587039
9.008530
11.354228
10.765587
8.250008
11.882321
9.646657
8.405286
8.688009
9.254067
11.160375
8.158574
9.249428
10.249947
10.555498
9.104526
11.655263
11.143773
8.958159
9.532884
11.006195
8.151616
9.199622
11.327250
11.705557
10.325755
9.517380
8.588031
9.781304
9.878109
9.091586
10.376171
6.717780
7.370022
5.941633
8.640568
6.440306
8.767891
8.254570
6.578494
6.396481
6.180410
7.682775
7.855632
9.747536
7.891766
7.399197
6.628300
5.943953
8.236259
7.499298
9.178915
8.154347
6.419309
6.611820
6.746590
8.151540
8.578921
8.908032
8.789743
6.038682
6.964248
# Label of molecule (29)
0.453292
# Number of Instances of molecule (30)
5
10.432009
8.920377
9.725393
10.422714
12.380080
6.648818
8.562422
7.924090
8.156231
7.367044
8.657722
8.791263
6.778380
6.967885
9.511445
9.059842
10.198985
7.770141
9.484741
9.108223
10.809489
6.447105
8.561626
7.009367
8.323342
10.043671
9.428232
8.375554
7.517168
8.885560
9.225089
9.290765
7.817576
6.512116
6.302759
5.883801
9.638554
7.357479
7.910596
6.280908
6.082049
9.657231
9.648442
7.340266
6.226463
7.543275
9.346431
6.428129
6.142232
7.388485
6.759926
6.405179
9.599734
9.069201
8.507172
8.010697
7.204642
8.064531
8.122028
6.019913
8.790857
7.239662
5.973266
9.066500
8.509110
8.581866
8.579791
8.451979
6.871609
8.925016
8.877529
7.338298
5.589221
9.360454
8.983367
8.213813
5.943113
7.530564
8.690512
8.319040
6.917264
8.302805
6.112552
6.097171
7.572314
8.840785
7.757744
7.481857
7.538133
6.449843
9.853740
7.927534
7.526643
8.178274
9.892193
6.653813
6.460448
8.230522
7.593051
7.146504
8.105518
7.507721
9.747536
6.323603
7.335719
6.198111
7.556185
7.197531
6.885876
7.253929
9.199911
7.235984
5.931623
8.029710
7.651402
8.120899
9.102130
6.755867
9.604831
7.281518
9.111682
9.290765
7.386654
6.776406
9.509156
7.208182
5.924085
8.668554
9.241935
7.975661
5.893567
7.937452
7.149342
7.931959
6.645787
7.815256
6.820719
8.553072
9.074938
7.809519
7.602725
6.500519
8.137898
8.529267
5.848643
8.068682
8.803201
6.346461
8.285485
8.404263
# Label of molecule (30)
0.414138
# Number of Instances of molecule (31)
3
10.737457
8.694687
9.591386
10.726269
12.309276
7.060096
8.554795
6.998998
9.602794
6.349845
8.609525
9.256307
9.103301
8.820962
9.904363
9.266136
9.397053
7.680112
7.631233
8.601876
8.974136
7.372567
9.279706
5.975724
7.644401
7.816387
9.343157
9.429005
7.899673
8.513221
9.643773
8.018357
9.001175
9.030717
6.052110
8.529237
8.280084
7.344264
9.432951
8.017624
7.522980
7.144185
9.747536
5.942854
8.080248
8.202933
8.680242
9.175619
7.101703
6.104846
9.062456
8.390683
8.737129
8.370907
6.693487
7.892010
7.172262
8.700018
8.936476
9.740944
6.458525
7.060106
7.437071
6.502472
6.510407
7.409726
6.356716
7.583682
6.073382
9.061144
7.175466
7.241752
9.310907
7.106494
6.318628
9.043809
7.652043
8.232383
6.022843
9.646245
6.903363
7.051073
6.723426
8.356655
7.757881
6.862590
6.279077
9.813364
8.077105
9.719611
# Label of molecule (31)
0.417458
# Number of Instances of molecule (32)
5
10.650691
8.854660
9.677973
10.609189
12.155937
7.309860
11.515337
8.649170
9.207221
6.295518
6.487936
10.189839
7.216506
6.600624
11.098410
9.527241
9.662640
7.958881
10.969318
9.161984
10.121363
5.492111
8.927415
7.333581
6.540955
10.377208
8.065529
7.054614
7.376495
9.260440
9.140370
7.598086
8.154500
7.040330
9.542726
6.928388
6.272607
8.328333
5.749397
9.061144
8.767922
8.258141
7.273858
8.602878
6.202536
9.030381
6.091082
6.494659
7.283502
6.183370
8.844584
8.775124
7.298395
6.477935
7.481628
6.179220
7.670232
9.554567
9.195547
5.948866
8.395306
9.079043
5.848231
8.227088
6.480697
9.272774
8.454634
8.901425
8.048372
8.737358
7.647359
5.944548
9.400586
9.185492
9.190252
6.583361
7.984771
9.176092
8.768120
9.112735
6.537706
8.064852
5.861782
5.467483
6.659169
5.790735
7.739769
6.568834
8.690481
5.873745
8.243721
6.469497
5.101779
5.577258
5.428938
6.028199
7.655202
5.216529
5.725578
5.003632
8.877529
8.113834
7.943541
5.558702
8.202216
7.615528
6.221198
6.713889
6.261238
7.366985
6.107913
5.485824
8.197333
8.571856
5.073946
8.861171
8.093081
7.024445
6.327891
7.981384
9.023179
8.126911
6.401395
7.627873
6.459380
8.598727
8.469939
5.732307
6.337428
9.061144
6.913007
5.896130
5.693365
5.470336
5.302606
8.679174
6.575716
8.152913
7.186453
5.670782
8.064531
8.129719
8.837992
7.436827
5.719855
5.278558
8.122394
8.239097
7.335871
5.706915
# Label of molecule (32)
0.499712
# Number of Instances of molecule (33)
3
10.680591
9.125220
9.838062
10.337631
12.619793
9.131907
9.901652
8.688694
8.907253
7.013788
6.361811
7.855311
8.214113
6.569993
10.406073
7.792294
10.306668
8.974467
9.172259
8.589763
8.102253
6.016165
9.581654
6.357802
6.601322
9.764648
9.312972
7.205226
9.707405
8.211353
6.517823
8.429746
7.824625
9.402188
7.647984
6.670537
7.048235
6.937757
6.199454
6.566774
8.669988
8.324274
9.747536
7.373074
6.958022
9.086383
7.759926
8.374935
9.171468
7.522004
8.298761
8.513123
8.881176
10.027329
6.555666
8.125538
10.065538
6.723395
8.600528
8.680609
7.490982
8.155675
9.569781
8.483688
8.460250
9.272774
9.291086
9.064272
9.207709
7.119877
6.447737
7.812037
7.133427
8.496506
9.803430
9.817835
7.542497
9.510331
6.342021
7.067263
9.532304
8.638966
7.278207
6.701773
6.717277
8.909238
7.838649
8.584887
6.164159
9.068789
# Label of molecule (33)
0.451740
# Number of Instances of molecule (34)
3
10.200124
8.838768
9.302869
10.316273
12.076654
7.597606
9.886704
6.913835
9.094241
8.260225
6.485141
7.857540
5.861232
6.225448
10.390148
8.096018
7.661832
7.545902
10.242837
8.105221
10.311420
7.766185
7.362022
6.967689
6.951568
11.235437
9.512017
6.168382
9.196555
7.386039
11.379864
8.955473
10.144963
11.597644
8.375744
9.157506
10.669393
10.024232
9.870418
8.356334
9.003693
9.057649
9.159093
11.586535
11.027192
10.207099
9.899472
9.063997
8.255989
11.673330
10.049379
11.571032
11.979980
9.447066
8.920194
9.613330
10.702353
10.619953
9.224158
10.726890
9.971084
9.290765
7.989578
7.351863
6.188253
7.319636
6.381741
6.855388
7.098437
8.369228
7.409970
7.712226
8.947371
7.249931
8.175985
7.799265
6.121235
9.684820
6.039445
9.384518
8.520844
8.380093
7.692083
8.412687
9.053209
9.872082
8.535615
7.003342
9.115589
6.519196
# Label of molecule (34)
0.274652
# Number of Instances of molecule (35)
5
10.783753
9.024724
7.877832
9.525472
10.236874
7.934313
8.464598
7.872691
7.690106
8.702224
7.426206
8.367428
8.302027
6.097066
9.383068
8.529863
9.707460
8.922386
7.326684
8.249776
10.840990
6.390640
6.876626
8.623156
7.493639
9.406245
7.315752
6.917185
8.000830
9.022342
6.662618
8.299265
5.983764
8.545366
5.127537
5.640492
9.100558
6.766381
6.897244
8.029969
8.877529
8.991424
5.615589
8.670248
8.459181
8.969329
5.799921
8.764489
7.278848
8.893399
8.287301
8.464675
6.720237
7.767754
8.454665
6.125126
8.990326
5.766594
5.588244
8.736045
7.766655
6.401990
5.663320
8.774377
6.684591
5.793329
8.909879
6.609638
6.667379
7.318644
8.877529
7.869198
6.416395
9.059420
5.609729
6.936430
5.736686
6.218513
7.638478
6.353893
7.671316
9.006317
5.832392
5.627552
8.408521
7.831599
7.457930
9.023408
5.338481
8.672323
8.923307
8.790857
8.182073
7.055574
9.013276
7.928282
9.503037
8.290231
7.340373
7.205603
8.877529
7.961119
8.757286
8.801721
10.092044
7.055086
6.950346
8.637898
7.120151
9.932859
7.262246
9.201636
10.159917
9.570666
8.286325
6.674825
6.880276
6.794580
8.611042
7.242347
5.921506
8.289743
9.196020
5.736686
5.824458
6.353893
8.333201
6.015015
7.299112
7.233802
8.877529
9.083712
6.442640
8.424390
9.202368
8.501053
5.417096
5.284036
9.067354
7.914975
7.958312
6.796411
7.842708
6.740867
8.658406
8.635456
8.944792
6.834010
6.397351
6.411023
# Label of molecule (35)
0.181492
# Number of Instances of molecule (36)
4
10.218566
7.940411
9.000164
8.235255
12.402728
7.573214
9.977714
7.011050
9.174008
7.369790
8.127303
7.875850
7.713332
7.827090
9.461724
6.806460
10.583173
8.353386
8.548789
8.054921
10.707402
6.386312
10.126134
8.571160
6.946870
10.799209
7.386003
7.568832
9.272616
9.064855
7.328990
7.249031
6.103488
6.652455
8.725883
6.430525
8.840022
9.518876
7.299570
6.791498
6.099704
7.980255
8.833918
8.409467
6.491806
8.930601
7.718039
7.647237
8.643849
9.173528
8.583422
7.751610
7.756005
8.080111
7.244026
5.663656
9.147771
6.395123
5.817347
8.414716
6.686148
6.269021
5.652791
7.759667
5.457595
9.272774
5.522416
8.214026
8.591601
7.373913
6.794671
9.110294
6.843989
7.768456
8.556810
5.598834
6.197729
5.635945
9.129337
9.158147
8.436201
6.927366
9.058290
7.938993
6.021577
6.361675
8.098056
8.259438
6.153294
6.009980
9.243355
6.202124
7.785546
7.985870
6.507431
7.957060
7.870266
9.518876
6.989502
7.749168
8.578661
6.596423
9.636677
6.735954
9.445021
9.219428
6.743889
7.258187
5.951628
7.634297
7.465712
7.814112
8.958922
8.366131
6.631092
8.244789
9.125309
6.399274
5.740074
6.504501
# Label of molecule (36)
0.193270
# Number of Instances of molecule (37)
4
10.265665
6.906950
8.378292
9.576731
9.279345
8.860886
9.324980
6.961246
9.229202
6.421252
6.635999
8.367014
8.440049
6.940647
9.185397
9.932278
9.267765
6.957873
8.667551
8.320496
8.820713
7.537344
9.575569
8.639948
6.725016
11.187977
9.260445
7.729408
8.643107
9.506625
7.314997
7.573672
7.521668
8.177206
8.546968
6.771767
6.371120
8.656835
7.760079
9.061144
8.738258
9.060900
6.566317
8.776101
10.105731
6.464995
6.659703
8.129353
6.537751
7.421690
9.164785
9.515503
10.088519
8.649998
6.197287
6.807535
6.356716
7.907300
10.010514
9.520753
6.813837
7.431043
8.259682
5.920866
6.365337
7.246223
6.690786
9.518876
6.402326
8.899106
7.009766
7.253670
7.029664
9.077334
7.331065
6.669912
6.133152
7.561541
6.768548
8.346843
6.916501
7.967071
8.530931
8.526902
8.648732
8.477096
8.165441
6.924070
5.997162
8.444502
7.871883
6.283456
6.981719
6.238044
7.859676
9.235206
7.172521
6.679708
6.858547
8.112735
8.877529
9.359600
6.310068
7.925840
7.436079
7.009430
8.636067
7.492233
9.105808
8.454299
8.962859
8.616291
5.843867
7.178625
9.056001
6.260018
6.239387
6.072024
6.841700
5.582995
# Label of molecule (37)
0.162124
# Number of Instances of molecule (38)
4
10.568623
8.055724
9.690103
9.463825
10.299112
8.895210
9.567404
7.734180
10.452685
8.726684
8.367101
7.939103
9.506027
8.701918
8.369546
7.513387
9.086876
7.965113
8.825517
8.444400
8.918134
7.664702
9.125247
7.068342
7.768198
7.827744
9.830511
6.174403
7.732031
7.312911
6.983276
6.340556
7.446059
7.807276
9.203803
9.272774
9.689047
7.331675
8.551805
7.738914
7.038820
6.629139
8.587695
7.310556
6.757927
10.224586
6.608997
8.812799
8.819514
6.620350
7.704611
6.482040
6.347880
8.607593
9.801355
8.272011
8.240394
7.160527
9.577471
6.683340
8.642018
6.015229
7.069826
7.782861
8.713309
9.272774
6.739128
7.964629
8.526048
7.957915
5.782678
8.877499
5.868374
8.648976
8.806452
8.613330
9.481277
7.595355
6.685293
9.128971
9.548906
8.563890
6.942381
7.742821
6.183325
5.830775
9.306223
9.219428
5.775597
8.700491
11.314310
8.145634
9.129551
8.874783
11.193579
8.594012
8.888089
10.039369
11.769524
8.619648
9.177038
10.758385
11.027680
10.401196
10.664266
11.034639
10.620563
9.706351
9.345744
8.122318
10.796716
9.425336
8.861599
11.212134
10.322459
9.251747
8.990631
11.701651
9.269814
11.886959
# Label of molecule (38)
0.409230
# Number of Instances of molecule (39)
5
10.699400
9.195165
8.968448
9.273739
11.592119
7.931786
11.446596
7.123950
9.759833
7.690690
8.690756
8.391298
8.728296
6.120090
8.411730
6.920937
9.362117
7.993045
10.594408
9.371375
9.969457
8.170095
7.323850
6.458253
6.523796
10.219525
7.062568
8.287014
10.232454
10.733968
8.736015
6.409040
9.338694
9.512528
6.850581
9.272774
9.633259
8.948668
8.609180
8.644581
7.724509
9.303659
7.172002
9.473586
8.468307
6.459700
9.625446
8.653737
9.245430
7.700339
5.887783
7.214728
9.021058
6.505966
7.767846
8.693411
6.991577
6.218116
6.542222
8.557909
7.092074
9.220313
7.090976
7.739433
9.025605
7.568407
8.626423
6.491226
8.020325
8.746788
8.877529
6.745994
8.618122
5.922727
7.642384
5.704093
5.704459
7.767510
7.130284
7.619434
9.103610
8.584063
8.210028
6.032594
9.321512
7.615650
7.242470
5.872921
8.813562
6.408460
9.885708
7.839747
8.910337
7.903226
7.191168
9.272774
6.199561
8.706961
6.230934
7.746727
7.988800
6.908078
9.522294
7.366222
9.361888
6.494125
7.843776
6.798212
7.200690
9.658284
8.518479
7.337779
7.620869
6.469955
7.844020
9.153752
8.992004
7.414930
8.048372
8.588916
8.350047
6.598163
8.771813
9.233131
7.252602
5.950926
8.874966
6.434217
6.568255
8.194159
8.877529
5.988037
9.383526
7.088046
7.492843
8.137638
6.463881
5.514512
6.119633
5.983764
8.225043
5.479110
7.463790
6.594378
7.850154
9.295145
8.747032
5.979736
7.933042
8.820643
# Label of molecule (39)
0.348566
# Number of Instances of molecule (40)
5
10.625373
8.175312
9.614675
8.499803
11.362359
7.784907
10.059065
7.871539
8.329300
8.869411
7.771545
7.499662
7.695924
6.946814
10.583565
8.349894
9.032173
9.166545
8.963938
10.852459
9.889654
6.143427
9.871874
5.967935
7.185373
7.805149
8.099688
9.400564
9.215158
10.889119
9.007141
6.174535
6.459578
7.334239
7.641377
9.272774
7.929838
7.581683
6.780755
6.914792
7.844874
6.623524
7.653951
6.104953
7.365001
7.480728
8.228187
6.805658
8.313639
7.535051
9.086489
6.935057
9.159978
7.022095
8.487106
7.951079
8.871273
7.048708
7.474990
8.395184
8.052156
6.899655
6.547838
9.397656
8.517136
9.272774
9.108585
7.144780
8.752373
6.934935
8.750908
9.233100
7.799097
7.551164
7.297006
6.951903
6.495224
9.131657
8.384442
9.556719
7.291025
8.216224
8.886532
7.449843
6.244850
7.646504
9.201971
7.885403
6.073824
7.296640
8.612156
6.620884
6.771645
8.029374
6.679846
5.516236
7.205863
5.194449
6.422025
9.061144
7.419004
7.847240
7.410703
5.925062
7.364071
7.638981
7.573428
6.009659
5.461303
7.292535
8.946272
7.820505
5.457030
6.471099
6.606601
8.426237
9.150014
7.169607
5.662114
7.377499
9.264718
6.060762
7.607440
6.881588
5.941984
9.272774
8.307657
8.804987
8.586596
7.859890
5.294626
7.711936
8.020051
7.840236
6.120945
7.709738
5.478225
8.850154
8.958434
6.582507
8.301920
6.704825
8.894833
8.347575
7.806421
5.543779
9.097964
6.334574
8.208533
6.938231
# Label of molecule (40)
0.262328
# Number of Instances of molecule (41)
5
10.771206
9.189321
7.866200
7.941777
9.280754
7.053301
11.526218
6.866955
10.720400
7.350308
6.668526
8.754731
8.912025
7.013420
11.489134
8.402871
8.016714
7.853939
8.772057
9.914640
9.396835
6.950862
9.999336
6.030350
8.920059
11.610217
6.505607
8.356351
9.976974
10.169164
7.418104
7.952300
7.288217
8.946226
6.833857
8.799493
6.436262
9.518876
6.171606
7.380749
7.608539
8.287759
7.177618
6.853755
8.105502
7.761620
6.489731
7.800073
8.615040
7.046022
8.572924
9.397046
7.144047
9.589190
6.240089
9.456008
9.473220
7.981841
8.134190
7.203619
6.525773
6.659322
6.892117
9.557726
8.922330
8.606159
7.350139
9.125217
6.562273
8.726646
8.877529
8.253487
7.571337
6.183966
9.511338
7.416181
7.853938
8.217719
9.782220
8.179388
7.215491
6.752953
9.332377
9.885617
8.071230
8.876431
7.058504
6.390881
8.115665
9.054781
8.648778
9.290765
7.731880
9.924940
8.007889
9.166982
8.527802
7.819773
6.297021
8.467132
6.787393
6.747963
6.365261
7.828684
9.378780
7.365780
9.227165
10.117817
6.268578
7.419248
9.372311
8.476043
9.828745
7.363582
7.662175
7.234184
8.665258
7.039232
9.186270
7.567446
6.714347
7.027589
8.664724
7.564592
5.564776
9.272774
6.248024
6.104465
8.147130
6.752434
5.789026
7.006958
8.377483
7.047243
7.080447
9.331004
6.224097
5.618732
7.119022
8.720389
6.204932
9.294259
6.099582
7.962432
8.471236
7.616596
6.931639
5.600177
7.851466
7.938871
# Label of molecule (41)
0.221053
# Number of Instances of molecule (42)
3
8.742959
7.423070
7.982613
10.799185
11.627249
8.661912
10.787964
8.103366
8.132522
8.780239
6.911712
7.590064
9.256866
7.583482
8.346204
8.676600
8.738890
7.357497
8.558102
9.230974
9.812068
5.497690
8.425865
8.239156
8.657348
11.097599
9.683134
8.023781
9.488469
8.529741
8.233238
6.427763
7.421445
9.179922
8.971664
6.621982
8.140339
6.467681
7.247612
9.061144
8.453215
8.518403
8.934065
7.667791
6.879437
6.739174
5.589846
6.280419
8.015580
7.735542
8.818949
6.020768
6.968673
8.769143
6.496002
8.186728
5.843883
7.178030
8.735206
7.042405
9.602863
9.010437
7.211188
9.224921
7.684347
7.872097
9.432936
9.518876
9.295846
6.271340
6.650502
7.321543
7.659322
7.337168
6.441633
6.525376
5.835536
6.718741
8.457442
5.795007
6.520005
6.642323
5.792688
8.213416
6.706290
8.490402
9.412061
7.888699
9.092227
6.279885
# Label of molecule (42)
0.247604
# Number of Instances of molecule (43)
3
7.856282
6.456076
9.693193
10.325426
9.739840
7.883698
11.331587
7.984617
8.366352
8.230787
6.629646
9.779911
6.506136
8.871827
8.922686
6.682489
10.699245
10.129271
9.313094
9.314269
9.786517
7.514354
9.198162
8.328277
8.695856
8.503425
7.459370
6.291799
8.979931
10.371333
6.257454
6.493667
7.555223
9.184179
8.287179
7.469893
7.652516
6.137822
8.489090
6.567888
8.877529
9.364971
8.684896
8.138371
9.623768
7.835749
8.927702
7.097324
6.705710
7.834895
6.933622
8.172308
9.380108
8.500076
6.035768
6.202033
8.326609
8.102969
6.037721
6.367199
9.247536
9.132298
8.400464
6.663717
8.621540
7.328776
9.888913
8.343211
9.009369
6.871120
8.877529
7.975524
9.719962
7.824641
9.776849
8.939055
7.398846
9.316263
7.491745
6.016114
6.147588
9.717399
7.631031
7.369915
7.165563
6.882351
8.676107
6.261727
8.289865
9.315897
# Label of molecule (43)
0.276310
# Number of Instances of molecule (44)
4
9.859532
8.163362
9.320143
8.525918
9.362509
8.431227
8.590691
8.561969
9.836336
8.102907
8.518807
7.401533
7.454145
8.338157
9.921985
9.064589
8.348841
9.925842
7.308174
8.285194
9.816035
6.148429
7.309908
8.288421
8.612916
9.983419
9.784214
8.504783
9.818249
9.845577
6.139180
6.471099
8.184896
9.587283
7.384335
6.204611
6.221580
7.775948
6.495758
9.061144
8.158162
8.024857
9.624393
9.014756
9.095080
8.946394
9.474487
7.183035
6.216697
8.693823
7.362484
8.410489
9.642460
5.979507
9.330073
5.812754
9.020005
8.990463
7.185354
6.657506
9.170507
6.773583
6.436048
5.904904
8.212592
7.954894
8.823206
8.052187
5.917478
7.008942
8.877529
7.168615
6.806665
9.457625
7.013703
7.240150
8.951628
8.540117
6.320444
6.087039
6.969268
7.984558
5.848384
6.068972
8.072573
7.739433
8.641560
7.687674
8.050478
6.041749
7.852733
8.996200
8.344935
7.260796
6.852947
6.237815
5.675909
5.634526
6.669713
9.061144
7.970901
7.579775
8.414274
8.379116
5.927503
8.049760
9.243522
8.896832
9.007309
7.625431
6.293847
6.069353
9.160756
8.907331
8.668676
9.021958
6.296899
6.806070
8.355678
6.804605
# Label of molecule (44)
0.191563
# Number of Instances of molecule (45)
3
9.915720
5.630762
8.779166
6.739101
8.587230
7.022573
9.455586
7.182611
8.591453
5.463096
5.763634
9.342307
8.270922
6.903335
11.105461
9.837547
10.229555
6.930385
9.896095
8.057574
9.783950
5.578973
7.198932
8.507734
6.234119
9.600390
7.043018
8.462641
7.933465
10.472418
7.135624
6.835444
7.239998
7.113651
7.523820
9.272774
5.558184
6.647084
6.787957
6.855342
6.732292
7.323374
8.155553
5.753136
8.432051
5.627400
9.293527
5.579302
6.040498
7.390393
7.643086
7.991363
8.421430
7.652486
5.713706
9.034364
5.584552
7.455824
5.713218
9.101505
9.397214
8.894513
8.817362
8.633274
9.465087
6.212790
9.197134
9.240104
7.494690
9.061144
6.615146
6.961715
9.635990
8.798563
6.489776
6.524934
7.052904
8.817118
8.246055
7.936476
7.445250
7.580874
6.769814
6.283105
9.530152
8.405972
8.761208
7.462340
9.859874
9.859630
# Label of molecule (45)
0.217166
# Number of Instances of molecule (46)
4
7.554659
6.525319
8.312361
7.407887
8.876974
6.989081
9.769915
5.879126
6.695660
5.787420
7.458003
6.025297
7.085730
8.323761
8.951376
9.677431
8.664535
8.312210
8.287238
7.732354
7.843826
8.115843
10.049458
6.884031
6.267418
11.124975
7.780871
9.005092
8.424502
7.572843
8.263009
7.211707
6.628559
6.469375
6.796289
8.753014
5.484359
5.354228
6.966704
6.526994
8.877529
6.525651
5.417951
6.231208
7.174474
6.172613
6.506607
8.655354
8.389599
7.043123
6.215461
6.510880
5.859249
7.300943
8.810022
6.159307
7.847468
7.718802
6.109989
6.614032
7.355113
6.287820
9.308908
5.775964
8.940977
9.272774
8.809015
8.844539
5.386425
7.002686
7.796777
7.865993
5.430738
5.705283
6.037202
6.557604
6.615833
7.493179
9.376171
8.457320
5.637043
8.881283
9.352855
6.967650
8.437178
7.202643
7.742821
8.737236
5.916227
7.297494
7.657979
7.373180
9.330760
6.031587
8.405560
9.272774
8.134312
7.183477
7.014771
7.373058
7.202155
6.007538
9.288888
6.025605
9.416211
9.093081
6.423566
7.759545
7.672628
9.611042
7.796045
9.487381
8.432661
6.547105
8.495163
9.607135
7.201910
8.269448
9.469436
6.379376
# Label of molecule (46)
0.093556
# Number of Instances of molecule (47)
5
9.888160
7.304834
7.975611
8.567583
9.301049
7.685434
10.276547
5.956519
9.576413
5.843206
5.122046
8.205948
7.664824
6.307062
11.684860
9.173886
10.790953
7.285273
9.815848
10.985362
9.075406
7.546482
8.731022
7.027272
8.188514
9.995135
6.506681
7.642736
9.970590
10.724148
11.456038
10.674886
10.243477
10.163518
10.285348
8.999908
11.448836
9.203162
8.057253
9.620899
8.923124
11.283914
10.151677
10.809900
9.030427
8.315806
9.212683
11.220679
10.740440
10.945158
8.728172
9.313517
11.235450
10.959197
11.508164
8.711081
9.853450
10.310373
9.435591
10.357006
5.961791
7.450850
7.692434
8.207465
5.150243
5.462630
8.961638
5.732658
6.067141
6.525651
8.877529
5.108982
8.997406
5.184912
6.706687
5.307230
8.282907
6.800928
5.583972
5.560778
5.590197
6.912259
7.305704
5.209815
7.075838
7.527512
8.460524
5.161229
8.824671
7.223182
9.603229
8.585620
9.185492
7.182012
7.309336
7.880764
8.606006
9.518876
7.473037
7.808374
8.103183
6.265114
6.877926
8.905576
7.190924
7.920316
8.658010
8.458296
6.012177
6.274636
9.251778
7.801538
9.321360
7.689352
8.255898
7.549455
6.801386
6.994995
9.550981
7.629780
7.321207
6.242683
8.156072
8.899625
5.875484
7.152379
5.861812
5.483383
8.309885
6.851711
8.877529
8.533036
5.500473
5.588733
8.307077
8.545610
8.466750
5.793817
6.146001
5.836421
5.013276
7.317301
8.450148
5.256813
6.270638
5.597156
5.840815
6.529801
7.508835
5.631336
# Label of molecule (47)
0.115388
# Number of Instances of molecule (48)
5
8.506504
7.245520
6.405759
9.579606
10.579176
7.093524
10.191581
7.783841
8.038340
7.486374
6.771051
8.465185
7.379578
8.120550
10.324500
7.925005
9.641265
7.174767
10.036125
10.391221
7.583416
7.293786
7.861248
8.357209
6.271197
9.609356
7.738978
8.493158
8.236056
9.947701
8.161214
9.144276
7.193533
8.562593
6.229637
6.010758
7.015183
6.297021
8.131428
9.061144
6.909223
7.679266
6.691809
6.611972
6.774819
8.780984
6.286279
6.894696
7.883862
5.919691
5.951918
5.599002
6.473540
7.575259
7.431211
6.754433
8.958113
6.577670
9.018174
8.320399
8.047792
5.826411
5.692251
5.707144
9.129734
5.661977
6.723533
8.315012
8.430738
8.822596
8.877529
5.446883
7.643483
5.246681
5.457503
6.341441
7.943541
7.549120
6.166631
8.463454
9.040010
7.752617
8.138859
6.107669
8.155339
6.355724
7.586352
6.274911
7.809992
9.112033
7.683416
9.290765
6.754311
9.282586
7.047166
8.417081
6.867962
7.474914
6.592074
6.812296
7.652898
8.355068
6.596713
7.380551
8.285119
9.421628
6.255638
7.963820
6.867840
5.880505
6.668493
7.261406
8.900006
7.935865
8.756813
6.085101
7.361141
8.352382
6.985763
7.325983
6.485748
8.724464
6.445463
7.155202
8.134114
7.509949
8.624119
8.565401
7.252007
9.061144
7.270196
8.863872
8.422330
8.591159
7.901807
8.903668
10.077776
10.013321
8.990829
10.225608
7.426939
9.046983
7.869823
9.035875
9.309320
6.661046
9.254753
7.457823
9.853893
8.227744
# Label of molecule (48)
0.090733
# Number of Instances of molecule (49)
4
6.934501
5.772069
8.820263
8.128665
11.506478
7.078811
7.518093
6.577442
6.620255
6.433205
7.694892
6.363049
8.472454
8.007894
9.171052
6.609553
9.430036
8.547689
8.512345
9.643988
9.211212
7.795908
9.969904
7.855562
6.796312
10.826346
7.020460
8.330713
9.262709
8.218978
9.058947
9.290765
9.070666
6.735145
6.456084
6.983077
9.503540
6.923383
7.270196
8.480438
8.337123
6.484039
9.364864
9.389523
6.414335
9.982803
7.325983
8.826640
7.726630
7.002243
9.945326
10.198141
6.766884
6.873577
10.036760
6.597934
7.156056
10.210105
9.966079
6.698645
7.998337
6.740852
7.511383
9.717505
6.441527
6.101184
7.592807
6.371700
6.956679
8.307184
6.886853
9.626194
9.747536
8.713202
6.871960
6.940199
6.002792
6.710944
7.655675
8.162404
8.565371
7.946455
8.014573
7.197531
9.937605
6.156484
7.709265
7.479034
6.997330
8.495422
9.653310
6.082278
7.714530
9.474837
9.698721
6.530412
6.765038
7.861751
9.023530
8.112613
8.877529
8.121158
9.515976
6.400281
7.259316
5.825678
7.810724
9.028901
6.727439
7.808039
7.145909
7.353069
8.436720
8.765709
7.555956
6.720603
7.880551
6.670675
9.775262
7.236976
# Label of molecule (49)
0.144931
# Number of Instances of molecule (50)
5
7.230263
7.112548
8.353559
9.440132
8.675779
6.889187
10.062098
8.149049
6.682434
5.962598
6.921825
6.486978
8.279323
8.762460
11.739323
6.647963
8.668672
9.409702
9.856201
9.359723
10.074344
6.657188
10.092277
8.418208
8.421399
9.185322
8.383593
7.106721
9.244767
8.749471
5.927000
8.599689
6.147221
5.688101
9.247658
9.238380
7.736259
9.146214
7.023713
8.748131
8.877529
8.245064
8.666219
9.076510
9.025849
9.042817
6.204230
6.241096
7.138340
6.599384
8.816736
8.433424
8.154485
7.544359
5.979492
5.394024
6.280038
8.355785
7.106357
7.439375
7.559862
6.512467
7.363567
5.385723
8.883755
5.613636
5.390728
5.760979
7.195959
9.046480
8.877529
6.858425
5.530259
7.768609
9.047945
6.713401
8.065981
8.288888
7.999329
5.812372
8.096866
7.457442
8.120060
5.848140
7.616138
5.529649
5.311258
7.186071
8.394726
7.879086
8.781106
8.088214
9.396115
5.724250
7.965651
8.660253
7.065600
9.313105
8.919538
9.061144
7.146657
7.601749
8.767678
8.353236
5.851451
7.446959
7.808664
8.129841
9.136952
9.105335
6.919843
7.993973
9.058580
9.176626
7.580630
6.308985
6.931440
9.257317
6.387722
8.599582
5.842616
7.879543
7.582537
5.623371
5.854457
7.852199
6.582751
9.518876
8.414716
7.938505
7.741478
7.738548
9.208441
6.398541
9.477981
8.803888
8.621754
8.504196
6.326395
7.085330
6.584582
6.704703
8.229530
5.933561
7.031373
9.065859
5.634602
9.520219
7.853175
6.356426
# Label of molecule (50)
0.209950
# Number of Instances of molecule (51)
4
9.393149
6.958545
6.431508
8.618173
8.973595
8.130117
9.557387
5.825462
8.977544
5.627690
5.247032
8.254257
5.938044
8.771711
10.414948
7.045771
10.694648
10.479485
9.563379
11.003244
8.926417
7.159118
8.867225
8.422052
6.454236
11.068908
8.108818
6.704190
10.254579
8.863263
6.746010
6.695715
9.209952
7.425352
8.997909
5.359615
6.185446
7.529725
9.293939
9.061144
8.673559
8.946516
5.571413
8.288781
7.055956
8.143147
8.240562
8.889508
6.962935
5.561037
5.724494
9.234489
8.777444
6.950240
8.274133
9.192984
5.852306
8.197836
8.429533
5.782846
7.078341
8.949736
9.888852
7.481552
8.052492
8.915677
7.231544
7.242531
6.216498
8.550798
7.150609
7.555528
7.987304
8.207160
8.224128
8.882107
9.234535
8.465346
9.226966
9.122105
9.509323
6.239692
8.824610
9.386639
7.545274
9.688040
6.975799
6.263741
8.409070
6.800623
6.506821
8.379192
6.477645
9.459792
7.820704
9.272774
8.468551
7.279672
9.257637
6.262429
6.745720
8.358074
8.807184
6.781854
8.927427
9.118961
8.392621
6.864498
9.277657
8.389813
8.786676
6.186254
8.587329
9.611774
8.799738
8.912412
6.765374
8.542161
7.118168
9.224555
# Label of molecule (51)
0.176780
# Number of Instances of molecule (52)
5
9.365803
6.335941
9.023222
8.605768
9.232618
6.546722
9.635913
5.978970
7.600521
7.071171
6.943189
6.504047
8.617678
8.007791
10.567153
8.010026
10.827614
8.175330
7.254254
11.024818
10.617798
5.799252
8.497010
6.438628
7.814264
10.671413
8.968591
8.487449
7.751954
10.932903
8.506638
7.956572
8.018952
7.288095
6.070772
9.272774
6.600818
8.171911
8.969420
7.235237
7.254402
7.823145
6.455672
6.072970
6.235206
6.053072
7.625385
6.059297
6.631947
8.358440
6.333476
7.767968
9.451735
8.485031
9.916593
7.038942
8.197424
7.639790
6.594836
6.030976
10.409253
9.715262
8.851466
11.965331
10.685141
9.302530
9.855159
10.367138
8.606708
9.685965
8.537248
11.184912
8.165777
10.665242
9.022370
10.064760
8.066774
11.034150
9.732963
8.006104
9.582568
9.023347
10.911832
9.612720
11.213599
8.453993
8.638325
8.992950
9.027497
11.978149
9.676321
6.901212
9.888852
9.092074
6.226997
8.227790
7.154027
9.104160
9.530198
6.146550
8.171392
9.061556
7.533677
8.872341
8.902860
9.038972
9.270425
8.062746
6.573321
7.632191
7.649403
7.449080
7.630970
7.896970
8.053957
8.177618
9.199377
9.936583
9.617603
8.236824
8.135044
7.423841
7.981719
8.132481
7.008423
6.754631
6.207617
9.518876
6.285501
6.870357
6.475936
9.010804
7.089969
9.244331
8.555345
7.705222
9.501297
8.741874
7.941679
7.888211
6.283425
6.438704
8.256752
6.661122
9.421094
10.150243
10.137669
7.215949
8.332926
8.044588
# Label of molecule (52)
0.138632
# Number of Instances of molecule (53)
3
9.478296
7.061860
6.681824
9.873980
10.873740
6.455830
7.889706
8.514356
6.849989
7.032359
5.857750
7.548753
5.931543
7.221772
10.814668
8.390031
9.126295
8.261798
9.360116
11.009359
10.566580
7.400367
7.185876
6.497603
6.179780
10.143493
8.284554
7.781515
6.753040
8.777081
11.515122
10.636555
10.209662
8.435072
8.836940
10.318430
10.323923
10.375683
11.518662
8.273934
9.757134
11.788568
10.081606
11.790887
9.431806
9.002228
8.838038
11.313578
9.295450
11.148167
11.084078
9.717460
9.322184
10.569292
10.003235
10.072451
10.162297
10.910611
10.656575
11.776727
8.793435
9.290765
9.065294
9.094714
9.695929
9.186880
7.877026
8.193564
9.840220
8.797342
6.560701
9.382565
7.537782
7.122486
8.842265
10.193258
9.339839
7.284600
8.640599
8.268151
7.418027
10.238548
6.756630
9.708380
9.656133
9.974136
10.210837
10.099750
7.826365
8.086138
# Label of molecule (53)
0.197906
# Number of Instances of molecule (54)
3
8.856958
7.295530
6.528140
9.311660
10.323888
7.311026
8.096471
7.696207
8.025222
7.115610
8.022510
8.405082
7.482794
8.736661
9.646266
6.753484
7.465314
9.545581
7.455562
9.446826
9.260447
5.411406
10.289555
6.483138
9.138031
8.319920
8.103769
8.334450
7.089864
7.612238
9.749886
7.973952
6.108051
8.823344
7.343440
9.207511
8.348231
7.987014
6.933393
9.061144
7.955275
9.518311
6.851604
6.649205
7.022874
7.477966
5.981338
6.114765
8.872906
7.320368
6.343532
8.693945
6.277490
6.360256
7.173757
9.427732
8.361293
6.324732
8.367031
6.898480
7.138707
8.337718
5.967650
6.886868
5.934324
6.638936
8.659627
8.700888
7.067660
7.255898
8.877529
9.525132
8.489212
5.887448
8.073916
8.690634
8.166082
6.929350
6.738426
8.058657
7.105380
7.225867
6.557146
7.675344
6.868313
7.469283
6.252083
8.510697
7.453536
7.623463
# Label of molecule (54)
0.120835
# Number of Instances of molecule (55)
4
7.333534
5.840785
6.090214
9.714442
8.030752
6.321089
7.452109
8.546259
7.647023
5.313093
6.839567
8.772317
8.910025
9.227987
11.104732
7.821750
8.150140
9.119026
7.983494
10.684369
7.808242
6.547433
9.574130
8.394739
8.253375
9.551734
9.074934
7.873584
7.031635
7.315106
7.119312
6.366848
5.459960
8.107746
7.629460
6.896527
8.590426
8.481536
8.238975
9.061144
8.237022
8.120197
7.597232
7.187551
5.302484
5.564821
8.886822
8.757302
5.993667
8.700781
6.949263
8.440031
7.849925
7.147511
9.060533
5.808969
6.858440
7.016160
5.728889
7.609195
6.300668
5.864986
8.217597
8.445753
9.295877
6.249519
7.107700
5.735343
7.978332
7.718802
8.877529
8.806848
7.363567
6.115238
6.730979
5.690786
9.168188
6.744285
6.813135
8.165227
6.622822
8.345775
9.426130
7.581469
7.936216
5.746330
6.330821
8.060488
8.779260
8.066103
8.199866
7.383312
8.802789
6.303568
8.162755
6.559069
5.582842
9.518876
7.531755
5.532914
8.346355
6.718009
6.282327
6.381939
8.942320
6.890866
6.758415
8.454024
9.297800
8.676199
8.174352
6.277688
5.820765
7.626362
8.764336
9.152409
8.890805
7.840602
7.956084
7.291147
# Label of molecule (55)
0.068047
# Number of Instances of molecule (56)
5
8.286237
8.446145
6.552475
7.805275
10.777479
8.153735
7.223424
7.422079
8.388062
5.674226
6.429693
7.519994
8.195110
7.903564
8.349001
8.742307
10.742571
9.601224
10.517265
11.000706
9.468121
5.939404
7.524669
6.243189
8.691362
7.811007
8.537738
8.333412
7.958121
10.758690
9.080508
6.134129
7.772485
8.895444
9.585284
9.272774
6.305277
9.166204
8.106479
5.822230
7.283334
7.349498
9.345531
7.954009
8.019807
9.326121
9.391919
8.690115
5.781945
9.057802
9.508499
8.682302
7.930570
8.112339
9.595294
8.076937
8.427412
9.211982
6.208838
6.840571
8.340831
9.251015
8.261971
8.991119
9.852229
9.951720
11.405744
8.320688
8.384655
9.887631
8.753197
10.915372
9.029939
10.906461
8.983306
9.564623
10.576617
9.343669
9.130284
10.994842
9.232337
9.988464
8.161992
10.080996
9.026154
8.136235
9.924863
9.083285
11.764397
11.102145
7.582202
6.734519
7.825983
6.545305
9.974120
9.315165
7.027497
9.234840
6.655293
8.695273
8.877529
8.266549
7.826838
6.743187
8.888150
9.432600
7.194861
6.951201
6.829859
7.817438
7.631031
7.589770
7.746635
8.697348
8.511673
9.947264
7.337931
8.464064
7.611377
9.030732
10.262276
9.937071
8.320566
10.339793
11.642933
10.262032
9.636525
9.112339
10.595050
9.441328
8.480972
11.778802
11.147191
11.707266
10.668538
11.227638
10.142155
11.552599
9.674490
10.495193
8.834132
10.072939
11.087497
10.352855
9.165563
9.393353
8.428968
11.917478
11.598498
8.556780
# Label of molecule (56)
0.124513
# Number of Instances of molecule (57)
4
7.959161
8.386347
8.901447
9.943986
10.071250
6.707210
8.703548
7.569088
6.917929
7.556846
7.439838
6.068124
8.863918
6.117932
9.654897
6.621960
9.851114
9.590652
10.035896
10.585730
11.188437
7.509545
8.164192
7.729113
7.219999
10.181628
7.280519
8.510181
7.039450
10.486281
9.996582
9.114963
9.866329
6.978790
9.591784
9.266945
6.661397
8.775719
8.621540
7.013825
8.877529
9.589709
7.077181
7.181677
9.877438
9.192724
8.984588
7.561815
7.382366
8.760338
9.120334
6.238289
8.434889
9.023408
7.813898
6.283090
7.383587
7.974914
9.211524
9.692862
8.220038
6.289071
8.824305
8.192083
6.434706
6.381237
6.402600
8.531938
8.109561
8.755089
8.877529
7.695730
6.630879
6.945219
6.989410
9.248634
8.556719
9.354106
9.192846
7.904599
7.519578
10.016724
9.306131
8.617267
9.217383
7.733085
6.184576
8.222846
6.862941
9.443464
7.907651
7.154698
9.486435
7.056795
6.793970
7.681082
6.258553
5.998901
8.656209
8.611408
8.877529
9.304788
6.619526
7.657521
7.554857
8.550371
5.617664
6.801904
9.072237
7.707816
7.483566
6.499283
7.117710
7.171667
6.126102
7.246742
7.647267
9.340434
8.169500
6.396130
# Label of molecule (57)
0.203302
# Number of Instances of molecule (58)
4
7.672299
6.796594
8.009538
8.187885
11.147220
6.148598
8.087093
5.514804
9.490875
6.124140
5.150469
6.191846
6.257396
8.153956
11.929701
9.393992
7.515076
7.309756
10.721907
9.076266
8.288226
5.426508
6.957396
8.316341
7.891075
9.844744
8.918319
8.121455
9.941311
9.373077
5.565920
5.732551
5.690680
7.338923
8.880474
7.811472
7.953322
5.390255
8.149739
9.061144
5.855846
6.554353
7.847240
8.917585
7.653874
8.047319
6.021134
5.597049
6.990646
8.132893
7.371639
7.809153
8.799295
5.674932
5.696295
7.491272
6.758950
7.150807
7.576846
7.944411
8.170339
8.726875
9.190512
10.169301
9.057451
7.762368
10.140004
6.816294
6.828013
7.842570
7.966231
7.832682
8.539613
10.156240
7.592441
8.341487
6.725959
10.027818
7.075701
6.837779
7.913617
7.317774
8.446715
6.928480
9.503388
8.845408
7.103046
9.532685
8.894848
9.211020
5.545518
5.207739
6.764794
6.766991
6.936674
5.297952
6.398083
8.739708
6.575701
8.781457
8.877529
5.172094
5.572497
8.693319
8.012513
8.938444
5.915891
9.060030
5.992798
8.108585
6.427015
5.986816
5.165136
5.876095
6.078372
7.768487
5.364727
5.945799
6.556902
8.398511
# Label of molecule (58)
0.156695
# Number of Instances of molecule (59)
3
8.391759
6.588123
8.375571
9.772799
10.375693
7.922779
9.666080
5.876369
8.060311
8.046620
5.320443
6.712285
6.777980
9.223773
9.264782
8.537955
7.745611
8.519646
9.757904
10.486861
9.330566
8.106512
9.321198
7.030509
7.030525
9.992505
8.974391
7.131010
7.812935
8.305737
5.642460
9.290765
7.746162
7.048875
7.823679
8.220054
7.746895
7.963576
6.518830
7.131153
7.890698
5.782601
8.737648
6.262841
8.084307
6.310694
6.691321
7.226127
7.578799
8.364589
8.256310
6.656285
9.272210
7.967238
8.459197
9.419431
7.472594
7.785348
8.361293
8.248009
5.925260
6.891598
7.691061
6.478256
7.986480
8.402020
6.988159
9.518876
6.834101
8.560595
7.520890
7.093509
7.605365
9.148869
6.477889
7.368053
5.994720
7.066774
8.716727
8.860164
9.404736
8.922178
9.253121
7.071047
6.118381
8.174230
6.212256
9.360668
8.872127
7.708029
# Label of molecule (59)
0.066868