# Number of Dimensions
30
# Number of Examples
60
# Number of Instances of molecule (0)
4
10.597260
9.096312
9.686261
10.688970
12.522619
9.078566
11.433348
9.321319
10.512459
8.869815
8.688699
10.045784
9.546868
9.950010
12.681654
10.692763
11.738273
10.796350
9.954894
9.395428
10.640217
8.700461
9.107700
10.000793
8.394299
10.289743
11.201392
9.443525
9.075350
11.137181
7.752358
8.446471
6.904431
7.378079
6.237907
8.076830
10.104114
7.246971
10.070910
6.706793
8.430235
7.700842
9.249351
10.156240
7.812784
9.674657
8.858959
8.506653
9.251671
8.154714
7.161641
8.092578
6.949110
6.852062
8.239921
9.951399
6.685186
7.274194
8.070482
8.109668
6.346660
6.525864
5.663167
7.968902
6.260598
7.396374
7.167241
9.518876
6.780267
5.864834
6.566393
7.169073
9.415479
7.626850
6.870113
5.681356
8.008820
8.464156
6.997925
9.412305
7.763939
8.422651
6.349467
6.672597
5.825159
7.450697
8.616504
7.488662
8.290445
7.872707
9.059526
7.608066
9.222983
6.340815
6.195791
6.307855
7.070330
9.378872
8.678533
7.788247
8.235649
6.350703
9.747536
9.463836
7.776772
9.439299
7.722205
10.160390
9.001907
9.463958
9.965682
6.479125
6.476073
9.930525
9.403531
9.623142
7.271630
9.476531
8.472961
8.058031
# Label of molecule (0)
1.000000
# Number of Instances of molecule (1)
4
10.577810
8.903182
9.734559
10.659250
12.375067
9.129092
11.195416
9.333670
10.325834
8.797677
8.744407
10.061441
9.594033
9.799939
12.793496
10.281115
10.270697
9.345714
7.903821
8.724050
10.537762
7.853239
8.789663
8.739185
6.717356
10.551268
7.037325
7.288368
6.730805
10.609316
6.454329
9.184027
8.319864
8.086215
5.767907
9.272774
8.442549
7.261116
8.978942
6.487411
8.121494
6.067721
8.472213
8.889828
9.162053
6.934324
9.191961
7.970855
6.592151
7.200079
9.381909
6.533799
6.087008
7.508683
7.785058
6.818232
7.789697
5.633015
6.681509
8.741997
6.268044
6.267922
7.586077
6.145848
6.959960
6.973144
7.649068
9.518876
8.983581
8.690115
8.557176
8.597827
7.974517
8.434980
6.317362
9.443922
7.952177
9.493728
5.702719
9.212226
8.246498
7.741356
7.363781
8.483932
7.886868
9.204657
8.336711
8.027741
8.825739
8.740410
9.662099
5.995972
8.429640
8.804773
9.509018
6.794092
8.927458
8.589434
9.706046
6.143803
8.877529
8.855922
8.983123
8.985076
6.082278
7.016144
7.778375
8.867031
8.153996
7.260659
9.352519
8.705649
9.311502
8.826502
9.364238
7.783135
7.578417
9.696768
7.282266
8.864345
# Label of molecule (1)
0.905545
# Number of Instances of molecule (2)
3
10.409692
8.911023
9.739994
10.597536
12.602636
9.136227
11.314838
9.326572
10.565789
8.734913
8.600173
9.758789
9.151974
9.681679
12.838552
10.437998
10.085097
7.015852
8.239871
9.113876
7.738706
5.262982
7.809799
7.737003
7.628058
9.217122
8.678670
9.233345
7.328503
10.308372
11.753288
10.670858
10.133366
9.469039
10.604083
8.209357
8.320200
10.282418
11.049165
9.369427
9.643605
9.684744
10.781823
10.326121
9.374554
8.982818
11.284524
11.649892
11.429426
11.829340
11.460921
10.479202
8.513443
8.173467
9.510544
11.093356
11.695425
10.048280
10.920621
10.256539
8.028153
9.290765
6.470489
9.086657
7.557436
7.778878
8.116657
8.436735
5.683721
8.950667
6.278344
9.271966
8.930403
9.558351
6.734413
9.348872
8.449309
8.291833
6.092059
8.781838
8.091266
7.640324
7.869335
7.180960
7.717597
9.151234
7.005173
7.626896
7.629826
6.462432
# Label of molecule (2)
0.866148
# Number of Instances of molecule (3)
4
10.600221
8.898218
9.499797
10.642018
12.453789
8.674066
11.475854
9.064130
10.658498
8.773280
8.412682
9.782939
9.437392
9.928789
12.575525
10.765728
10.587540
7.899232
10.904361
8.106951
9.022438
5.567718
6.883818
8.087114
7.176793
11.135615
9.052699
6.910542
9.512796
8.801226
8.307810
6.132694
7.336833
7.945250
7.413007
5.885372
7.451949
8.248360
7.031404
7.765557
8.877529
5.955931
7.850032
5.723014
6.301157
6.965972
8.080142
7.404096
9.291971
6.929350
8.692709
6.106937
5.812983
5.437239
6.052736
7.169225
6.571306
7.326090
8.327464
5.657704
8.606464
8.804590
8.855129
8.023316
11.723014
8.673238
11.292459
11.040620
11.619861
10.402173
9.469161
9.414106
8.342296
9.604907
10.554643
10.117740
9.502853
8.274911
9.110385
11.655629
9.204016
10.679403
11.792230
11.687368
9.360393
8.682516
9.885434
8.769189
11.794183
9.374676
8.888897
9.290765
9.082385
8.476165
8.714331
7.629948
6.530427
8.103839
6.155538
6.513092
8.825175
5.912610
8.210288
6.936567
8.960433
8.421110
8.985214
8.459807
9.334590
6.955245
6.308374
9.037339
7.639225
6.711585
7.737983
9.279168
5.582400
8.935896
6.344752
6.017472
# Label of molecule (3)
0.840602
# Number of Instances of molecule (4)
4
10.621145
8.943079
9.570245
10.609771
12.096020
8.772508
11.498754
9.223803
10.633752
8.909158
8.483241
10.021652
9.534680
9.519529
12.768725
10.588803
8.701195
8.928173
10.102232
7.812303
8.951268
5.907083
8.816882
6.150223
8.667767
9.431709
6.500021
9.446443
8.951862
11.052472
6.984420
7.519593
9.377438
6.316187
10.265282
7.243339
6.352565
8.332118
7.310968
9.061144
8.777932
10.022599
9.039781
9.647588
9.666997
9.765755
7.799387
7.605899
7.896558
8.621433
9.075060
7.730659
8.142903
9.715827
9.625004
10.106464
7.936598
9.398190
6.921430
7.418271
6.085467
7.162160
9.016343
5.718757
9.306146
6.244652
8.947493
8.608493
8.329066
9.061144
6.272362
7.946486
6.610996
6.142842
8.956282
7.887158
7.722602
8.460784
6.603549
8.997055
6.992233
8.876446
7.834056
8.326624
8.580294
7.428526
7.773507
6.255272
8.857280
7.830027
8.602374
6.192999
9.225074
9.201025
9.054537
5.510483
6.445692
5.917844
5.297708
7.879940
8.877529
7.019074
9.045991
7.032380
5.904538
7.528733
6.311045
9.150731
7.829157
6.113773
8.983734
7.507126
8.682211
5.843013
6.845119
7.937925
6.154057
8.719810
8.882778
8.528153
# Label of molecule (4)
0.851690
# Number of Instances of molecule (5)
3
10.543335
8.938953
9.610885
10.585954
12.529212
9.226857
11.393853
9.133837
10.475312
8.509025
8.426557
9.641071
9.608528
9.632575
12.545240
10.556292
7.825253
7.167311
9.736405
10.862496
8.026183
6.916906
8.080877
9.029613
7.400689
8.585912
7.525109
8.704595
7.078747
9.861057
8.592853
6.540300
6.296396
7.206946
9.196997
7.779595
7.215613
7.557176
7.521897
8.482986
8.877529
7.914365
7.730155
8.280465
7.327189
8.828822
6.958892
8.774377
9.213355
7.472213
8.333811
7.225867
5.922605
7.523484
6.817164
9.359966
7.487350
8.360424
7.269204
9.160741
10.727256
8.170171
8.034303
10.305979
8.476577
10.357128
9.172521
10.511673
8.797998
9.944151
8.975616
10.480300
11.085055
11.387432
9.639943
10.859462
8.217658
10.892300
11.695791
9.539232
8.763817
11.538438
8.829249
10.475906
11.014863
8.520768
9.477706
10.820154
8.233772
8.384289
# Label of molecule (5)
0.840461
# Number of Instances of molecule (6)
5
10.662038
8.962993
9.740830
10.569392
12.364249
9.125802
11.381040
9.122689
10.354154
8.811249
8.446598
9.817461
9.682286
9.744733
12.802205
10.507914
10.031658
9.926065
7.686992
7.422709
8.428348
8.366903
8.121151
6.797236
6.208073
10.514209
8.117519
9.424438
8.009746
8.992305
7.852840
6.122806
5.957274
5.476913
8.358104
5.543687
8.900357
6.812769
8.505081
8.710532
8.877529
5.093234
5.807733
5.402692
8.387890
5.215674
7.584521
7.695486
6.914579
7.663259
4.957244
6.155034
7.624317
6.916288
6.968291
6.810083
8.370678
7.075350
6.689108
7.269936
6.121235
9.290765
8.897687
6.749428
6.216208
8.619236
7.690863
8.697119
9.758309
8.352138
8.534028
7.986038
6.493439
7.701605
7.679510
9.788095
8.249718
8.405240
9.485473
9.059313
8.373257
7.610416
8.051836
9.140614
8.283166
6.532014
8.161580
8.566744
7.017502
9.258538
7.195807
7.630146
6.883297
6.448714
7.980010
9.272774
7.160527
8.140294
8.139683
6.390484
6.423200
7.841456
8.121616
8.721732
5.896207
5.841762
6.232154
6.260475
5.531083
7.914823
7.510758
6.828852
8.580004
8.105136
6.721671
8.421796
8.473922
6.725333
9.338694
8.700491
9.167104
8.782571
6.591220
8.083453
9.849620
9.067858
7.470519
6.448027
7.708563
9.061144
7.940748
8.512055
8.361171
10.120502
9.417844
8.526582
6.560213
9.090564
10.165670
7.426084
8.507294
8.561495
8.807230
7.802805
7.280938
8.902081
9.140492
7.091113
7.258721
8.440397
# Label of molecule (6)
0.877171
# Number of Instances of molecule (7)
5
10.515819
9.107841
9.477577
10.693650
12.520212
9.117456
11.038189
8.962643
10.662703
8.950303
8.508839
9.919725
9.546778
10.015211
12.244728
10.659689
8.830943
9.962010
7.833116
8.623104
10.154964
8.067554
7.860474
7.395086
7.567692
11.571245
6.625378
6.505520
7.707375
10.083097
7.609760
5.897671
7.711692
5.723106
7.853298
9.272774
7.396985
7.664449
6.756706
7.459243
8.225745
6.366558
8.199499
7.912015
8.903623
7.383312
6.507675
5.675375
5.717856
7.645528
6.089572
8.770562
7.887356
7.766869
8.842830
6.885495
9.121647
7.339122
7.710105
6.246193
6.877361
7.659612
6.032243
7.937574
6.280297
5.896863
7.959181
5.980239
8.562471
9.061144
8.283654
7.280328
8.503876
6.454009
8.204306
7.744575
7.062792
7.588931
8.200766
5.872326
7.696844
6.513703
7.570376
7.497375
7.458678
8.439787
7.175954
8.521943
9.239006
9.549806
7.712348
7.038377
6.511383
6.246239
6.290551
9.193838
6.796426
8.909894
8.129353
9.061144
6.754677
8.669042
8.003616
9.008408
8.921491
5.752571
8.096759
7.736274
6.312159
9.696905
7.009934
7.538392
6.147114
8.524751
6.544221
6.868084
7.785592
6.917524
6.632603
9.083728
8.142277
7.597339
6.043947
8.735679
5.833735
6.210456
8.600543
6.398694
6.078982
5.740593
8.877529
8.087710
8.741905
8.841029
5.590442
8.321726
7.824885
6.117557
8.634968
5.142796
5.165746
6.329234
6.996857
5.732047
8.908780
6.889676
5.876583
8.018372
7.121860
7.551683
# Label of molecule (7)
0.850861
# Number of Instances of molecule (8)
3
10.430867
9.008386
9.708778
10.564518
12.593691
9.139374
11.032901
9.387553
10.136200
8.953976
8.813317
10.156687
9.218207
7.582357
11.567102
9.229706
10.173013
10.132609
7.823804
8.277118
9.794450
8.278984
9.364349
6.592794
6.402042
10.644993
7.788820
8.105782
6.896575
10.049710
6.912229
6.754875
6.007294
7.222785
7.998444
6.782342
6.243629
9.518876
6.671499
5.939055
6.641102
6.013886
7.810694
7.832789
8.207068
6.129978
5.990448
9.149113
6.400739
6.460677
9.554888
7.938505
9.625568
8.616016
6.995361
7.113285
7.712058
6.216285
6.509384
6.531724
9.785638
7.214393
8.953825
9.459334
9.855708
8.035096
6.482192
6.743065
8.477371
8.846522
8.877529
7.125523
8.471267
5.968139
9.343608
7.628956
8.473952
5.996826
8.251656
8.365184
9.950316
6.280160
8.069399
6.067995
9.508896
9.602771
9.281472
7.774712
7.397626
6.455824
# Label of molecule (8)
0.750536
# Number of Instances of molecule (9)
5
10.488496
9.060966
9.679133
10.713597
12.336943
8.944843
11.148480
9.036268
10.632908
8.976994
8.338549
9.840197
9.388821
7.343868
10.509851
10.746004
9.688383
7.916147
7.550871
10.061156
10.842040
5.843981
10.365679
6.183201
8.144695
11.120672
6.998655
8.565505
8.557470
9.503852
8.207602
9.290765
6.155660
8.123981
5.714240
6.711829
6.699377
7.569521
8.999496
8.436125
7.908399
7.865062
8.337245
5.967544
5.787118
7.928297
7.177053
5.907727
7.765206
6.121967
6.993576
5.758675
5.605228
8.444670
8.345790
8.719581
6.459136
6.901654
5.523682
7.350398
6.742210
8.565020
9.726066
9.340800
9.735588
6.305429
9.885495
6.130131
8.933561
6.579608
8.877529
7.841609
7.852962
6.995270
6.088015
9.611316
8.885708
7.471847
8.746178
9.578967
6.334849
6.481704
8.519608
7.016388
6.662984
7.284585
7.258217
9.635731
9.324808
8.028016
7.789209
7.818628
7.670797
8.802911
6.760735
9.272774
8.999207
8.536546
6.384381
8.833186
6.583117
9.153020
6.263771
8.179724
9.784143
8.725517
8.076693
10.018769
9.724204
7.389782
8.798761
6.761589
7.569964
7.409680
8.139317
10.197363
6.963378
9.422803
7.561419
8.029817
7.885296
6.780038
9.581759
9.199301
9.123615
9.201621
8.304010
8.712104
6.232902
8.393735
6.710822
8.707099
9.747536
8.077319
6.732429
8.913404
8.974685
7.214133
7.478301
9.681616
9.406461
9.123737
9.207602
5.985824
7.342677
6.592410
8.447325
8.608341
7.098895
8.849803
# Label of molecule (9)
0.782729
# Number of Instances of molecule (10)
5
10.636471
8.962190
9.496716
10.610680
12.522074
8.693877
11.481264
9.467753
10.419619
8.929224
8.613245
10.028505
7.893146
8.215675
11.054396
8.861580
7.243858
9.988829
10.208807
7.333414
9.944723
5.516736
7.347970
7.751772
8.492388
11.302144
6.607868
6.417187
9.199747
8.197143
10.112644
7.541765
9.925993
10.070894
7.667745
6.414289
6.439070
9.518876
7.597919
8.846858
8.549120
7.516861
7.611347
9.688803
7.453383
9.662435
7.587542
8.305216
6.588000
8.011872
7.568133
7.921415
7.504776
10.077242
7.741478
8.116733
8.930723
8.409955
8.293497
6.842036
8.275597
5.609378
8.969955
7.158010
5.715705
6.582064
7.173025
6.552767
7.970779
9.061144
7.988235
7.992752
8.695898
8.246422
8.425504
5.736213
8.432340
7.771187
6.791421
5.887341
9.036241
6.734779
6.505036
6.579867
9.099841
6.883099
8.093585
5.748665
6.240257
8.314295
6.634785
8.584918
7.280679
7.493210
8.651326
6.570086
8.946013
6.082278
8.014222
9.014008
8.877529
6.826807
8.294626
6.060549
8.616047
8.990081
8.164373
9.705191
7.557909
6.567034
8.262398
8.514481
8.707846
7.657643
6.053835
9.495102
7.612354
8.423780
8.556352
7.485885
6.671285
8.312449
8.299997
8.663167
9.814814
6.894559
8.434278
8.240669
6.677999
8.643513
8.877529
7.449263
8.716758
9.241310
6.420179
6.900662
6.201910
9.138768
7.767022
6.325083
7.524583
7.964171
9.227271
7.131260
9.491317
9.078219
6.585101
8.552690
8.488113
6.654439
# Label of molecule (10)
0.725171
# Number of Instances of molecule (11)
4
10.375709
8.943698
9.580559
10.672085
12.501527
8.681018
11.411323
8.975351
10.220133
8.852960
8.374870
9.780035
9.004465
8.759999
10.187522
8.862259
10.803365
8.758574
7.672046
7.559649
10.390523
7.776189
7.751489
6.677262
7.661970
8.005391
9.639845
7.846285
9.222643
8.512990
6.911130
8.242836
8.362712
7.197150
6.127659
9.272774
7.487686
8.675954
8.194983
8.862850
8.290689
8.277749
7.651875
6.459700
7.111454
7.878567
6.142308
6.040864
8.681814
6.278787
6.198096
7.680685
7.060183
8.374554
9.169988
7.295907
6.153539
9.196112
9.681967
9.446364
11.109470
10.188543
10.703696
9.235267
9.707205
10.113712
11.481429
11.048067
9.631397
8.307993
8.008423
11.173315
10.740196
11.623768
11.004364
11.492904
11.414411
10.003113
8.466811
9.465011
10.028260
9.981017
9.795587
10.733482
9.568163
11.368755
8.499405
11.603992
9.774224
11.991211
7.078768
9.252785
9.867183
9.504746
7.329630
8.017518
8.279366
6.481460
6.138554
6.148564
8.877529
6.770775
7.276406
8.623493
9.104465
9.728874
5.954955
9.567492
6.067995
8.440626
5.984863
7.694998
7.852351
9.766717
7.081576
7.930235
6.412000
7.256020
6.694845
6.082278
# Label of molecule (11)
0.698781
# Number of Instances of molecule (12)
4
10.549097
9.119791
9.680460
10.283615
12.309948
9.071145
11.022997
8.930510
10.578098
8.537244
8.145684
7.548634
7.882164
10.107487
9.626784
8.545211
10.731998
7.822000
9.918629
10.170639
8.751177
6.641028
8.562290
8.249373
8.593305
10.487908
9.013276
6.974689
9.221542
8.029978
9.073702
6.076907
9.669179
6.838160
8.287667
7.891049
5.900998
6.187140
8.228950
8.860073
8.877529
9.202734
6.280404
8.904630
9.309427
9.039766
7.590625
8.884243
6.441542
9.162450
8.388989
8.282662
6.973907
8.025941
7.481979
6.478164
6.849513
8.280953
6.803491
6.975982
8.515549
6.597278
7.045778
9.057680
9.808069
9.272774
8.587817
6.905637
7.591205
7.135014
6.806024
10.113742
9.529008
7.860012
10.292215
8.948302
7.609394
6.948241
8.823908
9.091494
7.397717
8.599292
7.723777
7.009033
8.469893
9.168401
8.085238
8.842341
8.899716
6.587512
10.325877
10.768395
9.497848
9.867244
10.578570
8.474136
9.617359
8.929472
11.473983
8.764550
8.155278
11.394635
9.675832
11.413434
9.052889
8.735130
10.230537
8.406629
9.589404
10.444166
9.757866
8.002808
10.179022
10.091739
9.821589
8.378552
9.034211
9.904111
9.354778
8.235969
# Label of molecule (12)
0.640038
# Number of Instances of molecule (13)
4
10.375777
8.989824
9.730352
10.577595
12.156826
8.954495
11.495561
9.108173
10.573970
8.565463
8.607434
10.191265
9.624731
7.823158
12.925237
8.203012
9.966841
7.685342
8.662837
9.505201
9.448054
5.798771
7.717964
6.018110
6.048833
8.699004
9.666699
7.695051
9.738666
9.478321
6.677480
7.758446
6.590320
8.344890
9.139958
9.272774
7.914335
9.213569
10.077609
7.121830
8.775811
10.014618
6.492172
8.351848
7.339976
8.567309
8.871639
8.151524
9.504227
8.756645
7.623920
6.524522
8.327921
7.778588
7.099368
7.827418
7.988067
8.441206
6.571642
7.050172
8.563158
7.722190
5.510697
7.167730
7.845241
9.272774
8.725883
8.866146
7.595721
6.831782
7.070193
7.470840
5.946135
7.201422
8.196081
8.516037
7.400525
7.978179
6.593249
8.097324
8.457686
5.663656
5.706626
9.054994
5.819788
5.639363
7.579363
9.212104
6.562487
5.885464
6.286248
8.963698
8.926832
8.787179
6.744758
6.255242
6.435789
8.523011
8.030320
6.039903
6.015244
8.246879
9.747536
8.343928
8.898633
7.426054
8.260552
6.140736
7.761391
8.085498
9.502655
8.898267
7.528352
7.928755
7.372219
6.992080
8.701849
8.513123
7.089740
8.861034
# Label of molecule (13)
0.740680
# Number of Instances of molecule (14)
4
10.448075
8.887777
9.541618
10.487299
12.324192
9.028492
11.481040
9.149966
10.524382
8.716584
6.279055
8.056411
7.384023
9.408765
10.071983
8.337503
8.251157
8.474019
10.217085
9.093456
8.262909
5.696423
8.137195
6.285271
6.597542
11.491507
8.037170
8.753381
9.120605
8.293029
9.180761
8.349925
6.659932
9.699942
9.506943
7.342204
8.032044
9.408795
8.726768
7.336589
8.877529
8.340159
9.721427
9.009125
7.186438
8.109439
7.124180
6.189215
5.999145
7.549730
9.742302
8.041444
8.401563
9.482894
9.845332
9.768914
9.575060
6.450941
7.195837
6.216926
9.465575
8.517792
5.894421
8.150349
6.303858
7.543275
6.833903
9.341670
7.452086
9.061144
7.150685
8.214194
9.421873
7.609195
9.424436
7.774728
9.129383
7.984817
7.780831
6.321924
5.754646
6.112568
7.825144
6.405057
8.467620
9.436888
6.629551
5.742683
5.895642
7.211844
9.591723
9.448042
9.832820
11.530747
9.084750
10.597125
11.485336
10.113956
8.114261
10.078066
9.526048
10.546098
10.291330
8.384899
9.343303
11.069185
11.784051
10.876186
9.867367
8.791162
10.613727
11.330790
8.441420
10.832240
8.819239
10.027528
8.746605
10.431471
11.361919
8.723777
# Label of molecule (14)
0.674595
# Number of Instances of molecule (15)
4
10.442101
8.956477
9.524718
10.305653
12.424535
9.041873
11.055741
9.229404
10.102297
7.551224
8.140517
8.348471
7.080224
7.449421
10.670578
9.226695
10.235646
7.651512
8.159279
9.217591
9.268614
5.954794
7.570254
8.344969
8.314252
9.192017
8.260062
6.309237
8.326096
9.324095
6.058489
7.424619
7.012497
8.295007
9.412717
7.876293
7.295587
6.383694
8.827006
9.061144
5.890027
9.109973
8.988510
8.640110
9.039537
6.051286
9.159536
8.308679
9.501831
6.318751
8.108478
8.542329
6.070208
9.595096
9.565310
8.396695
6.055803
7.915235
6.573397
9.237907
11.468123
9.627369
11.077486
8.820826
11.747551
8.134281
8.262215
8.806055
11.475814
10.207953
9.553392
8.092776
9.576830
10.973724
9.960387
10.416578
10.655599
10.087832
11.081881
9.136143
8.615986
11.420148
10.813562
8.709250
9.803888
10.791711
11.017792
11.911252
10.046815
10.642415
7.821436
8.356365
6.722526
6.246437
8.804010
6.001312
5.906217
9.518876
5.973357
6.153905
7.699728
9.035829
8.584887
7.623066
9.723228
7.659810
8.179113
9.744224
9.759117
7.466079
8.889706
9.000183
9.649495
9.656453
8.271889
6.696280
8.151769
7.214484
7.031129
6.565172
# Label of molecule (15)
0.598858
# Number of Instances of molecule (16)
4
10.567213
8.905258
9.491654
10.702038
12.338617
8.785210
11.478579
9.346328
10.466604
8.117154
6.522834
9.047945
9.376136
10.051704
11.047831
8.546667
7.777215
9.685689
10.791923
8.617220
7.981965
6.636892
7.037503
7.593357
5.894700
9.534041
7.127986
9.215284
8.201273
9.750846
9.307855
8.997177
5.806284
5.544435
6.415311
6.657018
7.261895
7.665960
7.234428
9.061144
8.686377
8.697485
8.597140
8.581027
6.101825
6.833659
6.353786
9.399167
8.423063
7.947951
5.870006
7.780709
6.245628
5.796152
5.575198
7.305231
7.377132
9.120350
8.444060
6.433988
6.213889
5.723884
6.170797
5.935438
7.614444
8.455046
7.241264
5.911390
6.489776
9.061144
6.561678
8.696387
6.011368
8.054765
6.187277
8.202841
6.865642
7.834300
9.155385
5.814341
6.686926
7.142262
6.711829
8.277917
7.545473
5.484497
7.279351
7.494568
6.364650
6.885784
8.959944
6.172750
7.842845
6.408719
7.673894
8.259728
7.356014
6.053972
8.733253
9.061144
8.679785
8.850810
7.867748
7.074877
8.870708
6.022599
8.318323
6.258812
5.557741
5.557497
5.207389
8.676122
6.605869
7.787301
8.964339
8.103107
8.521332
5.865368
6.680090
5.971450
# Label of molecule (16)
0.718315
# Number of Instances of molecule (17)
3
10.367583
8.903417
9.512783
10.691029
12.569851
8.986066
11.527206
7.173311
9.224691
8.828987
8.486449
8.791357
8.798602
9.927927
11.699382
10.354670
7.365906
8.319666
10.375165
9.742050
7.547715
5.995676
9.508186
6.157608
6.131160
9.365958
7.474301
8.963157
8.503975
9.792782
9.024842
7.662130
8.609302
6.770501
7.864284
7.982452
7.724998
9.518876
9.224677
8.072176
7.007202
8.178747
9.105045
9.897427
9.083438
8.256264
8.613086
9.676595
8.431196
7.506119
6.985473
8.418378
10.332987
7.232063
9.570391
9.203070
8.728935
7.516984
8.144566
7.079836
8.862117
7.376476
6.379864
7.796777
9.692221
6.780023
7.640645
9.518876
9.509720
7.850978
7.240364
7.059816
7.830348
6.463851
9.899136
9.636677
9.352123
6.834712
9.980071
8.148228
7.164068
6.497543
8.131504
6.413678
7.915799
7.022462
9.827723
7.339976
8.322550
8.350871
# Label of molecule (17)
0.684711
# Number of Instances of molecule (18)
5
10.644318
9.082546
9.784699
10.488497
12.174066
8.806536
11.461544
7.446523
9.391425
8.423292
8.841530
8.461683
7.615631
7.783194
10.627032
10.499648
7.837664
7.708712
10.032906
9.991474
10.155781
7.372471
8.119270
7.007344
6.080803
10.716483
9.099533
7.642633
7.615023
10.979460
5.370586
5.159398
5.315531
8.757530
9.096286
6.388928
8.915372
6.079348
8.873989
7.382611
8.877529
8.278512
7.300089
5.826777
6.996368
5.265358
5.992676
5.136814
8.116153
8.364818
7.442305
6.474258
7.242592
5.860591
8.605304
8.662435
5.586901
7.875668
8.114078
8.375072
7.854549
7.849055
8.434278
7.659841
9.537950
9.246193
6.406629
6.122684
7.259438
7.159948
8.877529
9.353984
8.430006
6.150639
6.508072
8.885952
8.071352
6.800317
8.942839
8.426954
9.105686
7.417890
7.859432
8.593707
9.385357
8.641560
7.949278
7.978454
9.341533
9.316141
7.695975
7.589160
9.439802
5.982299
5.680654
6.171758
7.053377
7.907773
9.219214
5.717032
8.877529
9.295633
7.504929
7.252724
8.159246
6.643452
9.432966
7.621509
8.562334
8.887295
6.325083
6.872829
7.154698
7.319987
8.399121
9.554430
8.326853
8.847255
8.853359
8.275094
9.869686
10.342845
8.017945
9.180090
9.858821
9.300821
11.275613
8.936796
8.196295
8.110721
9.782037
10.402295
8.827784
9.861751
9.088900
10.383862
10.989471
10.750572
8.097659
11.888424
10.372265
9.161657
9.985900
11.229102
9.027619
11.645131
11.061495
11.468612
11.890011
8.168096
# Label of molecule (18)
0.581090
# Number of Instances of molecule (19)
3
10.433492
9.071101
9.461177
10.417064
12.421109
8.822130
11.514150
9.463489
10.459500
7.699101
6.854960
9.381436
8.532339
8.733541
11.227268
10.833690
10.740617
8.570280
7.700099
10.158180
9.767849
7.881615
7.279039
8.181192
9.140891
9.751378
9.280854
9.341607
7.756027
8.771189
10.587848
8.980132
8.867336
11.002045
10.553423
10.471633
9.579394
8.322275
10.479812
10.267159
10.151799
10.773522
10.359691
11.683218
10.041566
11.681631
10.379589
11.754021
10.928922
11.381329
11.374859
8.031129
10.198920
9.997620
10.182073
9.314493
10.759606
8.843654
10.266060
11.186010
8.060625
9.290765
7.322687
6.190817
7.002243
6.840861
9.252678
7.913404
8.623997
6.211814
8.447844
9.557619
7.761299
8.180990
6.705725
8.196982
9.236076
8.676611
6.309107
8.441618
9.999649
9.515870
8.694311
8.656590
7.172292
8.072344
8.457488
6.797037
8.358608
6.748207
# Label of molecule (19)
0.640789
# Number of Instances of molecule (20)
3
10.429960
8.976740
9.615492
10.498360
12.439086
9.195251
10.461444
7.359322
7.721399
6.777769
6.834800
8.936037
8.527028
7.974318
9.609935
8.407127
8.037975
7.813765
10.483924
10.224516
8.275743
5.816086
8.960830
7.048515
6.130240
9.692800
9.625021
6.740312
8.654665
7.831852
8.458663
7.191778
7.932524
6.678457
7.681417
9.272774
9.828578
6.575060
6.487167
7.836695
8.721610
6.972289
9.730918
7.393689
6.586901
7.244636
6.785638
9.962249
8.491501
6.356059
6.155736
8.112827
7.686300
8.276772
7.019044
7.349620
8.317667
7.670675
8.573901
9.200629
8.234550
8.563295
9.701025
8.222953
8.539979
7.670812
7.586703
8.542665
10.173818
6.574465
8.254326
8.286309
8.607852
10.156240
6.833140
8.744942
7.765786
7.567537
8.571352
6.780038
6.573489
6.462401
7.366359
8.926710
9.439177
7.563997
8.912915
8.769723
9.537324
6.944105
# Label of molecule (20)
0.469585
# Number of Instances of molecule (21)
3
10.580802
8.878008
9.676816
10.540843
12.017344
8.866786
11.306544
7.158689
8.583289
7.436733
8.625703
9.574529
8.289300
7.264773
10.449784
8.777778
8.304022
10.009306
10.586705
8.528041
8.879982
6.438832
9.846536
6.796022
8.729461
7.857511
6.992532
7.934410
9.273717
9.018183
7.306772
8.054109
6.249855
5.584796
8.604663
9.272774
8.596606
7.517960
7.482803
8.086825
8.825129
8.610645
7.598041
7.340220
9.341258
5.543779
6.900632
8.550096
8.582080
8.243080
6.240944
9.312449
8.494308
8.233070
8.312662
7.325694
7.285409
5.797205
6.305765
6.905026
7.959655
6.177374
6.372448
6.481460
8.514847
6.957793
6.166753
8.854701
6.621357
5.862423
8.877529
7.884335
8.339549
8.295846
8.108463
6.458510
9.284158
7.862362
5.975097
7.080355
8.419507
9.210913
9.270852
7.161046
7.189978
8.494339
5.904660
8.116886
9.360942
7.322916
# Label of molecule (21)
0.553748
# Number of Instances of molecule (22)
4
10.643266
9.147172
9.694074
10.571967
12.231034
8.909107
10.985840
7.269019
9.468888
6.313799
6.442704
9.714368
8.823446
9.494429
10.949032
10.257079
7.800429
7.206038
7.513046
8.362028
8.171672
6.936048
7.190745
6.709936
7.320099
10.860776
6.454905
9.006441
8.571229
8.327687
8.583544
9.105533
7.719016
8.327067
5.824671
9.272774
5.974578
7.357677
9.242500
7.786889
7.265755
6.687857
6.767449
5.928922
6.549913
7.793359
8.086215
6.952879
5.642537
8.898007
6.358379
5.625690
6.384014
8.478561
7.553240
8.042024
7.611957
7.481582
7.276131
8.085482
8.994369
8.945662
9.359737
9.193472
7.353572
7.881909
6.026627
5.513184
6.912275
9.061144
6.110858
5.946303
7.568056
6.243309
6.433134
8.164632
7.000900
8.142293
7.542787
7.537049
7.829539
8.652806
5.822886
8.822489
7.384091
6.352199
8.399991
7.573672
5.970962
7.650945
10.058290
8.517228
9.311197
9.605152
10.939909
9.840266
10.015198
9.494797
11.041841
9.089022
8.313364
9.957945
10.697226
11.597034
8.108036
9.706351
11.548936
8.130985
9.401532
11.598010
9.142735
9.807550
11.338481
10.517411
11.139012
11.281106
9.052644
9.967345
9.013581
8.581317
# Label of molecule (22)
0.583079
# Number of Instances of molecule (23)
5
10.357593
8.948461
9.694386
10.385493
12.685110
8.974985
11.019763
7.374830
10.239876
7.632930
8.469424
8.661759
8.892307
7.339150
12.404982
9.301564
7.934085
7.675215
10.737428
8.515697
9.953473
6.589661
9.892343
8.194343
7.748484
11.485888
8.009671
7.522123
7.412489
8.459502
8.610569
7.541810
7.288873
6.774209
7.246757
5.135243
6.347560
6.606967
5.536256
9.061144
7.839793
8.306238
5.239616
9.041490
7.088061
5.346431
7.012009
6.140645
8.959578
5.535035
6.693640
5.682623
8.121662
6.097797
5.874157
5.972549
8.008255
8.256554
7.104663
5.699591
7.098758
7.858303
6.262185
8.106357
8.505661
9.272774
8.513840
6.845210
9.110172
7.080935
8.098788
6.807611
7.526872
9.743370
7.910428
9.336619
8.246010
7.933378
7.336436
9.573321
6.610462
6.392315
6.700919
7.979644
7.067995
6.589587
9.419263
8.353435
9.070742
7.061647
8.241646
5.548814
7.172399
8.653157
7.724052
6.347545
6.085208
6.137944
8.735435
6.396619
8.877529
6.669820
5.838740
6.112918
6.857448
7.429609
7.952330
6.497940
8.276803
6.360729
8.015687
7.929624
6.960356
6.130131
8.928312
6.759789
7.648244
7.580248
8.137150
8.590899
9.029267
6.889187
6.377453
5.713736
6.814112
7.120029
8.216498
8.643635
5.996582
6.002441
8.877529
8.660848
8.181341
5.129002
8.927580
6.752709
7.308878
8.548051
7.825861
7.134190
8.008850
8.492141
8.741905
5.645375
7.226478
7.914853
7.084506
6.642354
5.497421
6.703513
# Label of molecule (23)
0.567503
# Number of Instances of molecule (24)
5
10.409093
8.884820
9.743259
10.495156
12.455112
8.994081
11.508231
9.029781
10.367324
7.325504
7.686248
9.315799
9.055144
9.559555
12.386163
10.780282
9.154451
8.950318
7.903821
8.836995
9.865736
7.169506
8.786123
7.095959
8.675938
7.941194
7.835225
8.592908
9.441028
8.560240
8.836161
8.816507
8.786599
6.973312
8.011673
8.490326
8.141316
8.477752
9.276360
9.061144
8.314539
7.697333
8.230064
8.143880
9.812632
6.398709
9.170278
6.644810
7.799142
6.873211
8.696875
9.953749
9.367916
8.938459
10.121845
6.847819
9.307855
6.588412
7.558657
7.481994
7.824366
7.096438
6.227515
9.197821
5.481399
9.272774
8.280801
8.196570
8.763848
8.978088
8.343425
6.213599
6.103000
7.617328
6.634144
7.818751
6.999512
8.335734
6.994385
9.274728
8.564623
9.398755
6.597644
7.226081
7.867946
6.283547
7.152348
6.036836
6.964232
7.856716
10.029603
8.566179
9.843074
8.407971
8.153325
10.697470
8.731468
9.352702
10.983367
10.386303
10.036805
10.249458
9.001984
9.671316
9.659352
11.065279
9.631031
8.280282
11.586535
8.128056
10.712119
9.198401
10.040345
10.503250
10.791223
11.946532
8.118046
10.018250
11.082858
10.946257
8.215613
8.572069
6.420637
8.504685
7.275765
6.907590
9.140202
9.518876
9.418165
6.975951
7.651021
9.799646
8.394208
8.292764
9.503616
9.305002
6.266335
9.512650
6.300150
6.521958
9.825282
10.183569
8.280557
6.530015
6.811762
7.213996
6.398541
9.714560
8.819269
7.424940
# Label of molecule (24)
0.734496
# Number of Instances of molecule (25)
4
10.565932
8.955407
9.369591
10.794712
12.560938
7.466931
9.873993
8.119849
8.121099
7.079272
8.367525
8.633828
8.018446
8.520030
9.716174
7.830058
9.175482
7.546236
9.672138
8.262351
9.277831
5.811853
7.740425
8.899623
7.266372
8.157455
8.036956
6.517457
9.568052
7.955117
8.470428
7.006394
8.855083
8.260216
9.150380
7.813547
9.065783
7.258232
7.352718
9.061144
5.314814
6.921430
8.079058
5.506104
7.323664
8.749367
6.868084
6.387234
8.178060
6.086566
7.925733
6.884686
7.767891
8.220664
6.966475
9.073595
6.874065
9.158315
8.141072
6.242821
7.444838
7.479141
8.299966
6.508652
9.858608
6.261574
8.981506
9.518876
6.909055
8.259194
8.658742
6.880490
7.606830
7.785424
6.824946
8.889706
9.448195
8.100131
9.006531
6.496323
8.733451
9.307321
9.888760
9.339183
6.595813
8.745048
10.091159
7.459975
8.116489
7.743553
9.722159
8.446486
9.617176
8.584185
9.306497
7.637745
7.580493
8.308420
7.788751
8.785730
8.877529
7.584155
7.031526
9.728996
7.367718
6.222663
8.832728
7.217444
7.110996
8.998016
9.430891
9.247291
9.182470
9.619007
8.721885
6.888943
7.133824
9.380840
7.560595
7.482223
# Label of molecule (25)
0.412173
# Number of Instances of molecule (26)
4
10.299958
8.754542
9.400544
10.319730
12.030008
6.947889
11.299962
6.975070
8.195011
7.100728
7.613233
8.604129
7.064427
6.838064
10.662463
6.597900
8.380790
10.130606
9.503251
10.431715
7.795758
6.637084
10.133879
8.636408
9.206262
11.641658
8.948826
6.929433
7.322008
7.303784
6.334620
9.290765
7.528748
7.813303
7.081225
8.937849
5.724738
9.096667
6.168111
7.737495
7.413266
8.337733
8.390469
6.062029
5.592410
6.968795
7.884228
7.320734
9.340693
8.636448
9.336543
8.148640
7.662786
6.792154
6.688513
7.243461
6.017838
6.370876
9.205191
9.227409
7.023728
6.142109
8.088214
8.851543
8.635838
7.535096
6.510773
8.597873
9.730232
9.061144
6.666662
7.886059
6.533113
7.239921
9.225944
7.481140
9.077258
6.295923
9.746834
6.498688
6.847942
8.034867
8.460906
9.184805
6.925092
7.367977
7.737007
8.779031
6.489166
5.861461
7.179373
9.290765
7.290094
8.023148
7.527772
7.927808
7.578555
7.003464
7.467223
8.059526
6.355129
6.099872
6.624302
6.946455
8.680029
7.753975
6.396268
7.722114
8.810526
6.394559
8.036210
8.956282
5.923109
6.404935
6.230857
6.867962
6.515656
8.174276
8.045488
6.561068
# Label of molecule (26)
0.341267
# Number of Instances of molecule (27)
3
10.260580
9.042756
9.393928
10.307866
12.312876
8.172577
8.632993
6.784806
8.086159
6.898267
8.463749
7.652628
8.126398
9.072777
11.480259
7.641781
7.880531
8.356947
10.271349
9.538773
10.001542
5.952486
7.271515
8.316644
7.922331
11.266997
7.440894
6.429955
7.343693
9.235486
7.632069
6.664388
9.888852
6.961150
7.940306
6.540971
9.837092
7.541734
8.608783
8.955962
7.020722
6.164251
6.161077
5.906308
6.265328
9.362468
7.830073
9.704031
8.158086
6.830164
8.495621
8.571673
9.387738
7.874874
6.272530
6.920499
9.173376
9.236854
9.121738
7.181372
6.384915
7.592349
7.627018
8.054888
8.463958
7.659734
6.403104
5.650029
5.906995
9.061144
8.459563
8.102985
5.760506
6.340236
7.329768
7.718085
8.447111
7.164113
6.445097
6.863201
8.392178
5.856700
6.663488
5.859020
8.299524
8.614475
6.884075
9.236808
7.448912
7.273858
# Label of molecule (27)
0.369911
# Number of Instances of molecule (28)
5
10.288241
9.258013
9.556525
10.391279
12.382357
8.866462
8.415483
7.490035
8.834205
8.746767
6.526053
7.295309
7.013118
9.124377
9.901926
8.430492
10.098658
8.652520
9.271016
8.891333
8.930968
8.228098
9.842996
8.783695
7.615188
11.437352
9.380323
8.440117
7.243746
10.358048
9.161321
6.418928
8.220008
5.398511
5.575762
9.272774
6.279763
7.513443
9.206488
6.217383
6.384991
5.765099
5.846767
7.233283
6.788812
9.237861
6.530381
8.971984
8.112583
6.229591
8.940245
8.659963
8.110019
7.902860
8.498459
9.088443
8.800104
7.956572
8.010163
6.064425
9.116031
8.075472
8.402142
6.271828
8.155553
9.272774
9.130558
7.127445
8.997986
6.826655
5.776452
5.819788
6.139500
6.456404
8.770928
6.904904
6.625233
7.189459
8.314615
9.007630
9.395947
6.452010
8.581225
7.159917
9.314768
7.247322
9.286569
6.161473
6.748894
6.792962
9.504883
7.919019
6.502472
9.001938
8.449675
9.058824
9.002915
7.430601
8.547578
9.061144
8.478607
9.620975
5.716559
7.728095
7.006638
5.693609
7.231986
6.306299
7.336604
8.194662
9.010849
7.766060
6.530427
9.119495
8.576144
6.165670
7.969802
6.961837
6.576327
8.477752
7.729804
6.245872
8.321375
9.315058
6.094256
8.474090
6.306543
8.571139
9.475951
9.061144
7.260430
8.488128
7.933058
8.235191
8.374844
6.845744
9.189932
9.306635
7.916700
5.704474
5.858531
6.132710
6.305078
7.116993
9.340938
6.671422
8.556490
5.865001
7.284845
7.993240
# Label of molecule (28)
0.412496
# Number of Instances of molecule (29)
4
10.389832
8.793567
9.701692
10.341418
12.643192
7.096859
9.332199
8.065969
9.103360
7.311515
6.213748
8.162361
8.079206
9.132256
8.244208
8.314181
8.865535
10.141957
9.552227
10.488937
11.075149
6.937780
8.064723
6.381979
8.647441
9.345874
9.540161
6.678967
7.342702
9.185117
8.010208
9.290765
9.069079
5.954970
8.040361
7.821360
7.430235
5.926038
7.392270
7.113697
8.174764
7.678777
6.178610
8.996200
6.681677
8.491424
7.367244
7.676336
6.821207
9.522462
6.621738
5.693976
6.042253
7.587222
8.229453
9.240959
7.483459
8.489837
6.488922
6.722205
6.283822
8.785241
9.205786
7.187048
8.121403
7.595264
8.688314
6.432630
8.247383
6.466811
8.877529
7.661550
6.232429
8.749718
7.092318
9.257302
6.638936
9.075045
7.498825
8.229438
8.049013
8.746055
8.884610
8.928678
9.180639
9.495224
6.456923
8.314646
7.461837
9.483261
7.311823
7.284845
6.914838
6.399808
6.289941
6.524323
8.460662
8.885723
6.513703
9.061144
7.010788
9.788949
9.355342
7.234428
7.918409
8.816996
8.814798
7.068041
7.238701
6.549593
7.737373
7.097339
6.191671
6.090960
6.114765
6.564241
6.647862
6.275781
8.848857
6.853923
# Label of molecule (29)
0.353512
# Number of Instances of molecule (30)
3
10.424481
8.964025
9.577191
10.626547
12.252330
8.532892
8.705090
6.997668
8.126091
7.629582
8.837803
7.297817
9.032100
8.857025
11.281129
8.239950
10.971497
10.410154
9.882069
8.836764
8.631940
7.260311
7.893999
8.257871
6.047914
8.019976
9.248736
7.188307
9.164194
7.333359
7.132572
9.087710
6.945067
6.395611
8.119785
9.272774
5.746055
7.973174
5.681478
7.981475
7.529801
7.687643
8.543748
8.916196
7.307871
5.946989
6.421003
6.692129
7.956694
6.152318
7.719260
6.675405
7.743675
7.375134
8.605518
7.843287
9.409497
6.495224
9.320383
7.043703
7.868725
9.290765
6.337306
7.306452
9.392575
8.895611
8.181967
8.733863
9.033189
5.745613
8.640599
8.558687
6.912397
5.858531
8.705176
8.158406
9.043809
6.520173
5.978286
7.227958
8.471404
6.810099
7.137501
6.643956
8.778176
8.149739
8.954207
7.791086
5.835093
7.249321
# Label of molecule (30)
0.447408
# Number of Instances of molecule (31)
3
10.763922
9.063341
9.588986
10.778888
12.416056
7.730895
8.677736
6.748826
10.464012
8.759040
7.933584
9.765388
8.053732
7.604189
11.739427
9.737420
8.011658
7.742765
10.255714
8.206975
10.420508
7.057250
9.211660
7.673981
7.704257
10.748163
8.979762
8.317946
7.895490
10.325816
11.791131
10.772912
11.290994
8.167241
8.545061
10.398633
8.248177
10.894742
9.661550
9.348308
8.875881
10.700522
8.069338
9.230628
8.021851
11.101291
9.177160
8.256966
9.999451
9.824274
10.772912
11.581164
11.827631
11.190649
10.947722
8.192389
8.931181
10.738365
10.416700
9.240638
6.721702
5.769768
8.232490
6.169683
8.049013
6.101810
7.463546
8.624104
7.634083
6.336436
8.877529
5.557848
7.002350
6.718772
7.822810
5.692618
9.014496
7.342814
8.938200
6.800684
8.453200
7.428266
7.578784
6.524552
5.634754
6.151982
8.705771
8.439650
5.418073
7.909604
# Label of molecule (31)
0.499195
# Number of Instances of molecule (32)
5
10.180396
9.010639
9.592403
10.444344
12.250660
8.812885
9.534762
8.176122
10.311581
6.368040
5.894644
7.188759
8.559668
6.797566
8.327847
9.245205
10.880593
10.108572
9.993013
9.629336
11.174320
7.859780
10.233459
7.708375
8.915667
9.112279
8.167683
7.405349
9.546038
9.941578
7.788995
9.015961
6.739280
9.940550
9.087130
9.296731
8.810999
8.993377
6.642109
8.287179
8.877529
9.518174
6.628437
9.868892
6.976348
8.060610
8.061708
7.361126
8.375317
8.674642
7.949889
9.324320
7.267129
7.908261
10.000855
8.822108
7.707450
7.188269
7.757866
9.521470
6.575350
7.536195
5.617191
6.615757
6.101825
9.186514
6.298120
7.011277
9.161245
9.061144
6.588168
9.575930
9.220450
7.073168
8.635716
7.088183
6.333766
8.898663
9.159291
7.878246
9.232170
5.965346
9.580447
6.500763
7.966506
5.904553
6.397244
8.807108
7.982376
6.836711
6.492096
6.863811
7.534364
8.571993
6.056291
6.176046
8.504242
6.945479
6.161763
9.061144
7.601382
7.753243
7.786935
7.307672
8.054399
7.601016
7.743599
8.291833
8.501556
8.188681
5.703619
9.153188
7.560976
8.671117
8.780496
8.433439
7.643132
7.418027
8.540498
8.551119
7.755165
8.922193
6.480224
7.037004
9.151204
8.485534
7.777871
9.195517
9.579073
7.554109
8.375668
8.372005
9.747536
9.636448
7.550447
8.592593
6.944716
9.151570
8.329035
10.021104
7.002457
7.794961
8.495544
7.006363
8.815256
7.363063
9.840922
6.530396
8.288873
8.415586
# Label of molecule (32)
0.437892
# Number of Instances of molecule (33)
4
10.760177
9.056293
9.749621
10.303672
12.225851
6.816256
8.631875
8.559488
10.505287
7.413818
6.638032
7.291481
5.981351
8.964542
9.409692
9.526270
7.650340
7.267579
9.819067
8.476011
10.031409
6.311859
7.174259
7.084427
7.448798
11.295330
8.967194
7.704808
7.934236
10.277758
7.539567
8.533006
8.021760
9.680013
6.560533
6.040376
9.858608
9.518876
7.703635
8.156529
7.835841
9.643757
9.447218
7.161260
7.602191
7.451552
8.329508
6.264626
9.529984
6.750237
7.687643
7.488662
6.137425
6.152562
8.858821
7.791528
9.911832
8.899960
6.216529
9.309885
9.689917
7.863689
9.741798
6.759774
6.510987
7.971969
7.815836
7.155904
9.638524
8.324519
8.069018
9.662694
8.801706
10.156240
6.351924
7.309351
7.613681
8.471618
8.781808
7.720130
6.498169
6.364742
6.852184
9.444914
7.078387
8.580752
9.943831
6.720954
7.400418
8.195486
9.185339
8.103153
9.803888
9.703665
11.583361
8.288827
10.609699
8.870998
10.056093
10.008606
8.951689
8.674459
9.427290
10.420972
10.476272
9.494797
9.728935
10.794031
8.138920
9.991150
11.315043
9.262490
11.002899
11.369366
8.438368
11.827143
9.435347
9.081088
8.661519
11.471664
# Label of molecule (33)
0.391693
# Number of Instances of molecule (34)
3
10.259943
8.692175
9.596311
10.627032
12.481417
8.437586
8.636857
8.245954
9.391713
6.715803
8.094353
7.780473
8.679388
8.052196
10.244751
6.652495
8.001544
9.998622
8.908638
8.631641
9.815335
7.050613
9.204136
7.907760
5.913698
11.231014
8.315490
6.664747
9.946594
11.057208
5.733848
8.832575
7.452528
7.940214
5.940886
9.272774
7.740867
7.373058
6.224708
8.918516
6.819941
8.713309
8.497482
7.788720
6.929685
8.861385
5.959929
7.797266
6.455061
8.563768
8.734916
8.926939
8.070345
8.363445
5.740318
7.800195
8.312662
8.387005
8.682669
7.025269
7.019211
6.669958
9.573733
7.080004
9.889294
8.356655
9.680670
8.221519
9.588870
9.061144
7.707465
8.916486
8.859722
9.379025
8.401700
6.515168
6.572787
9.344356
6.839274
10.225974
9.797617
6.289941
8.507050
10.252586
9.114368
10.106830
9.812754
9.769051
7.043016
8.276940
# Label of molecule (34)
0.400487
# Number of Instances of molecule (35)
4
10.193954
9.017659
7.474428
9.601196
10.190684
8.231555
8.626587
9.284124
10.599933
6.750820
7.720723
6.199397
7.831151
8.609409
11.467616
7.346689
9.423141
9.496505
10.496456
11.019742
8.897483
5.963452
8.486056
8.631856
6.772104
10.374697
8.854835
7.043508
9.387202
9.696318
6.245613
8.427320
7.498215
8.890469
7.143223
5.359478
5.748405
8.235298
6.387951
5.323466
8.877529
6.936064
8.510697
5.237892
7.166784
6.609027
5.066256
7.217689
7.278970
6.123905
7.869564
6.529801
7.771172
7.791070
5.629383
5.980590
7.443892
6.665059
8.356761
5.605701
7.023804
7.645161
6.800775
7.725486
6.229591
7.052736
8.545091
9.518876
8.799738
6.974853
8.347209
8.369915
6.623157
9.993988
8.970153
6.970824
8.656178
8.572069
6.069308
7.044679
7.844996
8.945128
8.893979
8.969787
6.447981
8.446211
8.823542
9.521439
8.131016
7.134281
6.246361
7.637761
6.272851
8.895611
6.457793
5.875256
6.199728
9.033921
7.619327
9.061144
8.041704
8.804666
8.571749
5.160146
8.386319
6.444609
8.766091
8.200888
6.725623
8.499237
8.873882
6.106342
7.345149
6.883343
8.796976
8.955550
8.046587
9.061754
7.449889
6.549226
# Label of molecule (35)
0.293551
# Number of Instances of molecule (36)
4
9.954406
8.852452
8.973810
8.752507
10.773594
8.945303
8.562829
8.322609
7.989497
8.003694
6.770001
6.161018
7.396480
6.362773
8.506797
9.768602
10.795665
9.918608
8.888059
9.154370
8.509085
7.955683
10.039278
6.879074
6.844217
10.332377
9.061077
7.776844
9.047406
9.587955
8.371136
6.726188
8.258339
7.060305
6.268899
9.272774
7.213019
8.890072
5.836024
8.481368
8.568773
7.072024
8.959288
8.620899
9.058412
9.328440
6.455061
9.388256
6.776971
7.562395
5.777429
6.171484
9.120060
9.243965
9.153508
7.149174
7.836329
8.566454
7.024049
6.600085
6.360958
8.495911
8.997147
9.582369
6.557985
7.572909
6.641850
7.332545
8.211722
7.702307
6.381832
6.958998
9.747536
7.008927
7.900433
9.959822
9.204672
9.557711
8.021409
7.744789
7.880413
6.803842
10.082873
9.708472
7.403836
6.879650
7.429350
10.074206
9.114338
7.092181
6.401593
6.788812
7.940458
8.318766
8.189611
9.272774
8.609424
8.943175
9.173040
6.876827
6.940428
8.129673
8.034333
8.926206
8.036775
6.246193
9.254463
6.697134
9.419141
8.803400
6.692495
8.055940
7.837550
7.213630
7.598773
6.932371
7.200812
9.324168
9.929289
7.005371
# Label of molecule (36)
0.220322
# Number of Instances of molecule (37)
4
8.534198
7.508726
9.348315
10.782002
10.370024
7.395757
9.077675
8.651031
9.055173
7.923190
7.049780
6.414566
6.437625
8.934733
8.284934
8.877392
8.395730
7.477128
10.650742
7.623217
9.394619
6.948457
8.300948
7.718896
7.454416
8.257038
9.471736
6.379924
9.702342
7.488856
5.406110
5.918577
6.615986
6.301645
5.520249
8.074770
7.536546
5.610706
8.923795
5.646107
8.877529
6.799829
7.372600
5.981567
8.027650
8.888028
7.097934
5.901975
6.479629
7.015656
5.818720
5.387677
7.963805
6.330454
6.591571
8.381909
8.356029
7.178991
7.870174
6.587909
7.606372
8.587115
9.412091
6.587542
6.037721
7.425092
5.598376
5.861568
7.359539
7.364544
8.877529
8.521561
6.558977
8.580157
6.789087
5.683706
5.609973
6.496109
6.707663
9.207251
7.674123
6.910672
6.662740
8.516800
7.136387
7.237709
8.935759
5.731925
6.853786
7.740654
7.952696
6.598529
8.764122
5.698233
7.765069
6.889798
6.857326
8.117740
6.746605
8.841762
8.877529
8.098941
8.459792
7.923643
5.609607
8.074404
9.465072
8.131901
8.903287
7.340129
6.709494
6.551286
7.181433
5.817011
7.751274
7.035310
6.724021
9.116794
7.193884
6.876247
# Label of molecule (37)
0.179395
# Number of Instances of molecule (38)
5
10.123016
6.688448
9.785888
10.476777
9.657868
7.699272
11.353247
8.996999
9.967266
7.344815
8.353294
6.647010
6.872296
6.388367
9.671309
8.133781
8.494449
10.293527
8.790796
10.641337
8.116837
5.559830
8.905286
8.459683
6.212057
10.206494
7.324131
8.809847
8.138311
8.441480
7.755318
6.944258
8.841899
7.125538
7.704779
6.461577
7.031541
5.839122
6.052263
9.061144
8.144124
6.056169
8.263024
7.298517
6.900800
6.042131
9.383419
5.755501
9.628544
7.346980
9.478515
5.922987
7.895947
9.405393
8.185995
6.859661
7.454772
8.345424
6.262963
7.997635
10.302683
8.776025
8.448866
10.496902
10.675741
9.654347
8.231819
8.876247
9.125156
9.435591
9.623341
8.177374
9.817072
11.201758
8.316904
9.783624
10.276193
11.790765
10.232978
10.062197
10.260567
11.368267
8.092166
11.151219
10.753746
9.773003
8.294565
10.957366
10.947600
8.010010
6.530869
8.704886
5.562090
6.087741
8.536424
9.272774
8.056551
7.062014
6.169652
5.726157
6.514878
9.397900
8.766533
8.767510
8.821955
8.440107
6.298563
6.084567
7.210211
7.716941
7.685934
8.611621
5.771569
5.914274
8.226112
6.560900
9.272774
6.060396
6.015229
5.604450
8.923566
7.264946
8.251061
5.299554
5.879650
5.772591
6.059221
7.594790
7.638127
9.061144
5.606815
5.462645
7.172903
8.545747
6.188375
7.053636
8.871563
5.358760
9.067492
7.400571
8.284753
5.296625
7.925489
7.580508
7.992996
6.538972
7.614933
7.087573
5.465087
6.518342
# Label of molecule (38)
0.358156
# Number of Instances of molecule (39)
3
8.291079
6.944545
9.343680
10.112623
9.381159
7.494112
10.934394
6.846573
10.123729
8.789937
7.964756
9.646031
6.236993
6.883085
10.072609
9.040313
10.501692
7.753560
9.691683
10.795814
10.038060
6.627753
9.289775
8.140628
8.202508
8.470071
9.369581
8.609101
9.708946
10.416850
6.573153
9.290765
7.349055
7.042528
9.399411
7.471252
9.651372
9.312616
9.532350
8.201743
8.263268
8.260094
7.096240
7.252739
9.477294
7.010300
9.892834
8.106281
8.366665
6.781411
9.723640
6.278954
8.322596
7.626164
9.484741
7.951003
7.801584
7.165212
7.410947
9.773812
7.174444
9.064760
6.774285
8.332438
10.222877
9.272774
9.356517
8.707694
7.709372
6.565661
8.274087
7.348521
7.752831
9.780480
7.156011
7.702536
7.380627
7.586200
9.611774
10.024628
9.537309
7.745750
6.954711
8.556444
9.868007
9.680868
8.138462
9.698202
7.649068
9.218574
# Label of molecule (39)
0.227630
# Number of Instances of molecule (40)
5
9.181906
6.578106
9.258801
10.807923
10.243922
8.864632
8.573099
6.751042
9.426845
7.317437
6.441518
7.819094
7.070863
9.148075
9.938397
7.280118
9.738949
9.028552
7.306334
9.423983
10.270585
8.077847
7.951645
8.197782
8.347959
11.158210
8.216773
9.007479
8.849164
9.083686
8.629322
6.593249
8.453902
7.331431
9.996063
9.272774
6.035371
6.746818
8.527879
7.403211
6.084323
9.739097
8.850032
7.818628
6.598498
7.567278
6.162694
8.231117
6.312967
9.744224
7.376354
9.330882
6.754021
6.193335
7.552995
7.096072
9.286081
7.556413
8.527268
6.688833
8.107624
8.839091
9.020371
8.577975
5.574465
8.929426
7.421445
7.912427
9.251457
9.061144
6.403836
8.217368
6.486114
5.935560
6.193258
5.758675
5.821909
6.832438
8.968001
9.473632
9.071886
5.895520
9.349849
6.815714
5.695807
7.631291
6.888226
6.749428
8.360195
6.991501
5.913572
8.782067
5.485214
8.165105
8.473830
7.587451
6.663106
8.284249
7.958678
6.045656
8.877529
7.023469
5.657338
5.570177
8.551469
8.248970
6.175665
7.351115
8.774987
8.416211
8.446852
8.830164
6.234016
6.102786
6.048219
6.385388
7.132481
7.689627
7.696707
5.602161
7.427046
7.134068
7.752251
7.859432
7.557787
5.755364
7.522874
8.300729
8.748253
7.412885
8.877529
8.017518
9.447127
9.074923
6.404431
9.070162
9.040986
6.186529
5.574694
7.526048
5.803095
9.330912
6.107181
6.680441
7.146641
6.101444
9.328349
9.424909
7.057161
5.561144
# Label of molecule (40)
0.201683
# Number of Instances of molecule (41)
4
8.351883
8.769586
7.705529
9.556441
12.367055
7.296879
8.406738
6.815645
10.157901
8.512207
7.097638
6.912040
6.218490
8.060419
10.177280
9.812947
8.892197
8.479806
9.821366
7.807689
8.285543
6.288292
7.979195
6.160542
9.200951
7.936173
9.512017
8.632455
8.152731
7.927160
7.779107
5.671133
7.502609
9.103977
6.522843
7.514084
7.887997
6.334605
5.383160
7.310587
8.877529
6.579119
8.971038
5.887326
8.700644
6.942412
6.271615
5.882321
6.930448
7.032991
7.682302
7.986755
9.078341
7.091342
9.258766
9.179174
8.337840
7.298502
5.549669
8.825892
7.400372
7.534410
9.888852
6.698813
8.044191
6.575274
9.240150
6.733238
8.002197
6.892422
7.368389
7.492172
7.971801
9.384442
8.478774
9.017731
8.224494
7.476058
8.037477
8.914335
9.829890
7.798090
9.054598
6.414502
10.090640
7.857662
6.515580
6.624714
9.563890
8.577776
9.756478
9.290765
6.926679
8.413785
8.588717
8.783425
7.468810
6.086566
8.704321
7.966750
6.966720
9.833506
9.730964
9.780160
6.194723
9.352168
7.569765
7.904004
8.606174
6.461943
7.806589
7.876904
8.303552
9.106067
8.335047
8.204062
9.157949
8.535005
8.564302
7.333308
# Label of molecule (41)
0.203403
# Number of Instances of molecule (42)
4
8.955676
7.584526
7.195618
9.577314
11.515460
7.119335
9.162381
6.941750
8.044595
6.573763
8.051239
9.028673
7.306161
6.042177
11.662735
6.744745
10.522378
7.219726
10.555894
9.351648
10.838190
7.248480
10.220845
7.645252
6.686815
10.358200
8.150926
7.247576
10.088589
10.690299
7.729926
8.157674
6.293970
7.916089
7.325007
6.443632
6.685949
5.714118
7.715033
9.061144
5.766488
6.067888
5.827036
5.703131
8.702002
9.168935
8.259117
8.078692
8.397061
7.167165
9.271844
9.256829
7.372250
9.168569
6.772256
8.160604
8.823466
6.817911
6.164815
7.584414
8.105014
8.269448
7.073489
7.102054
9.069521
6.452376
9.014832
9.518876
9.018738
7.663106
8.409955
8.736381
8.826838
5.945524
8.237709
9.607257
7.753563
9.276437
8.273476
6.328959
5.873867
6.598621
8.904965
6.629261
7.498795
7.002319
7.128056
7.536760
7.464370
7.428968
8.445326
7.557848
9.888852
6.805139
9.470626
6.550249
9.151646
7.087863
9.762017
8.272958
7.272439
7.031953
8.109622
9.713431
7.760857
8.494400
9.904111
7.210913
7.481918
9.564135
6.002991
7.175878
6.409009
7.934202
7.590320
7.958617
8.557634
6.860805
6.902066
9.241859
# Label of molecule (42)
0.075046
# Number of Instances of molecule (43)
3
9.741206
8.098203
9.815059
9.827105
10.329581
6.946147
9.958800
9.241587
8.905526
6.598910
6.190539
9.130433
6.794583
8.342469
11.138163
8.596434
10.626154
10.142514
10.413564
7.829493
10.120429
6.436524
8.240758
7.909580
6.176511
8.027029
9.611164
8.424339
7.796864
10.920079
7.306207
8.157796
5.372066
7.367244
7.342463
8.318445
9.316889
7.130055
7.531068
9.061144
7.489441
8.525483
6.529206
7.113819
8.787332
5.611332
5.681402
8.176840
8.613498
5.717780
7.114429
8.551485
6.623447
7.180593
8.980819
5.947645
9.059313
8.942366
6.226218
8.347377
6.820460
7.361370
7.774834
5.409528
6.434828
7.566942
8.609210
5.520127
5.421369
8.174505
8.877529
8.142277
5.162816
6.599384
7.513108
5.870846
7.646901
8.287912
5.341411
7.725150
5.248878
6.282968
6.015259
8.319895
6.663472
4.970305
8.534745
7.903989
7.358440
8.878506
# Label of molecule (43)
0.213762
# Number of Instances of molecule (44)
4
8.819494
9.153122
8.681186
10.242712
9.672506
8.308218
10.576249
7.904505
8.916276
7.116606
6.496661
9.556374
6.941692
7.842097
11.319423
6.818329
7.802268
8.317775
10.517495
8.622412
10.680101
5.490476
8.119492
8.991982
6.159351
9.455738
9.833626
8.773933
8.162417
10.209598
9.254128
6.388562
5.521836
9.230567
8.913297
5.853877
5.598987
8.052553
9.280618
6.761010
8.877529
6.068606
9.302225
9.146580
9.432234
6.834498
8.572222
6.212165
6.566668
8.004456
6.773827
7.635426
8.860317
8.637654
9.300027
8.465041
7.081088
7.027619
7.928526
6.978179
7.270928
8.716773
5.716559
7.910230
6.807657
9.017197
6.631382
8.613376
7.038743
9.061144
6.058123
6.504669
7.753487
7.952345
9.014878
6.064348
6.948286
5.846568
7.400571
7.976882
6.204611
6.449370
7.480041
7.124073
9.247185
8.099200
9.233879
8.103351
6.556673
6.812174
8.978500
8.728492
6.511505
7.353450
6.805582
6.939497
6.312647
5.809091
6.201804
9.061144
8.247032
6.296777
6.518830
5.607913
5.744270
6.314722
6.373806
5.533326
8.268029
7.171194
6.965011
5.914563
8.236656
6.665075
7.567690
9.223746
6.812296
8.290613
6.084368
7.559755
# Label of molecule (44)
0.209850
# Number of Instances of molecule (45)
3
8.317122
6.450305
6.657287
6.563383
8.239657
6.161859
10.356428
8.098340
9.833878
5.871051
6.267531
7.436617
7.764240
7.319009
8.495978
8.205963
7.825253
9.789184
8.070294
8.704207
7.728322
7.333706
9.305818
6.029338
7.729179
9.303913
9.328011
6.330412
10.133939
7.807360
7.499527
9.115299
8.946471
8.668386
8.946104
9.272774
6.209326
6.237403
7.232917
6.737419
6.740226
7.423597
8.727836
8.169103
6.355449
6.741813
9.510453
9.065859
8.392132
9.780847
7.433119
7.560564
9.763756
6.572863
7.766381
7.084475
9.540361
8.020051
9.805750
7.772851
7.698050
8.371044
9.394879
9.651967
9.563219
7.217078
8.555986
6.197394
6.531266
6.423353
8.877529
8.119327
9.412458
9.467513
7.475631
9.209571
8.615070
8.318186
9.092135
7.830012
9.394513
8.668661
6.838649
9.220069
7.685965
7.037507
8.463820
9.859371
9.899411
7.612720
# Label of molecule (45)
0.153287
# Number of Instances of molecule (46)
3
7.601200
6.322760
6.984545
8.661213
11.109752
7.404144
9.556935
7.649534
8.611184
7.594513
6.737075
6.929729
6.753976
6.105803
8.632014
9.199349
9.326031
8.769258
8.438306
7.893176
10.741586
5.608407
8.867336
7.733463
8.831297
9.929145
7.323164
6.366741
9.145261
10.102736
9.606693
9.290765
9.219962
9.806772
6.898236
6.346950
8.420011
5.819224
6.337184
8.647679
8.087237
9.531495
9.443968
8.189047
7.224052
9.540895
8.034135
9.304315
6.895062
7.940138
8.327845
6.782388
6.409207
8.525361
8.925520
7.509949
7.558412
6.965621
8.526093
6.011856
11.454451
8.457411
11.343974
9.386761
9.721366
10.354442
10.190985
10.356151
8.370251
9.187292
10.336619
11.606922
10.145817
10.532792
8.716697
9.596850
10.240303
8.910672
8.325327
11.853145
11.840571
8.589007
11.334574
11.367534
10.540605
10.914396
11.270241
9.954527
11.498398
10.539140
# Label of molecule (46)
0.177066
# Number of Instances of molecule (47)
5
9.122587
8.315596
6.098695
8.462519
8.337001
7.754644
7.469847
7.503707
9.175603
7.039225
5.181057
7.840989
8.893522
6.503798
9.394496
7.950252
7.626666
9.763922
10.929539
7.641560
11.007013
8.203954
7.284128
7.238896
7.187007
8.090867
7.379021
8.388321
7.613923
9.462148
6.568194
6.912198
9.888852
6.340281
9.042390
8.614277
6.125309
8.393200
8.883816
6.600177
6.934050
8.328135
7.112278
8.328990
10.024110
6.997284
7.401227
9.809626
7.822138
6.926847
6.258614
6.596515
6.243843
9.605029
7.731559
9.840266
6.425367
7.513047
9.009186
6.267037
9.282083
6.946562
8.814905
6.273080
8.336253
7.825373
7.955748
9.238624
6.997833
6.641987
8.877529
8.883023
8.148869
7.444868
6.680563
8.341380
6.430067
9.328593
9.257546
8.512528
9.110080
6.366832
6.251106
7.784967
8.476638
7.600879
7.974059
7.504929
8.128117
7.955626
9.502976
8.929472
8.415662
8.434462
9.227454
8.130497
8.370251
10.265694
9.149205
8.030519
9.023469
10.851894
10.105899
11.486557
8.710959
8.579608
11.299783
10.397168
10.134587
11.189673
9.853328
10.574664
11.508164
9.938902
10.889370
11.668813
10.664266
10.507889
10.508744
9.022736
5.982513
8.272744
6.059664
9.509598
7.889554
7.925810
6.034394
9.518876
7.683004
7.896390
8.084628
7.388318
8.250526
8.068636
7.624653
9.725425
6.948973
6.864620
9.509476
7.580584
9.849208
7.052980
9.367748
9.049013
7.502335
7.611835
6.895993
7.613056
6.605701
8.520432
# Label of molecule (47)
0.120546
# Number of Instances of molecule (48)
4
6.932356
7.985201
8.886199
9.116526
9.175995
5.987819
9.743024
7.523794
7.756984
8.044046
6.815003
7.390376
7.424785
7.243049
10.116617
9.277897
7.606554
6.880864
10.693050
8.242623
10.612315
6.258761
8.481519
7.946099
9.201972
9.103671
6.491105
6.561883
8.047501
10.741593
9.426466
6.192114
6.880856
7.459120
6.310160
7.014039
8.620899
9.518876
8.321207
7.041749
8.519700
6.410382
8.053621
9.378857
8.531907
8.582324
6.132420
9.217475
7.734764
9.282418
6.896237
7.547136
7.804834
7.700095
6.134861
6.823969
8.236122
10.006928
9.757042
9.976165
8.401868
6.259468
9.888852
6.555010
10.033143
8.502091
7.900266
9.352947
9.482467
7.204199
8.763939
6.801599
7.027558
8.079470
9.560717
8.285897
6.972747
6.504349
10.084658
9.282998
6.269601
7.414655
8.756127
8.191900
10.192328
10.161565
7.277932
8.061892
9.941954
7.705069
7.130268
7.591098
9.297205
7.861492
7.576327
7.648350
8.330012
6.696661
6.388791
6.877697
6.937391
8.194998
9.747536
7.446928
6.295892
10.271477
7.354884
8.260308
7.385037
9.726051
9.994369
7.043474
9.337733
8.761422
9.142659
6.386593
7.533967
9.398038
9.512909
9.125690
# Label of molecule (48)
0.164019
# Number of Instances of molecule (49)
5
9.803871
7.795726
6.460891
6.992269
10.089081
7.650007
7.506342
8.500177
6.910783
5.712656
6.988459
7.778611
7.631518
7.762025
10.863903
8.947092
8.995513
7.442630
7.653077
7.289575
10.885559
5.540303
7.205682
8.551839
8.813014
8.526378
9.904415
8.082116
7.599173
7.842711
6.257714
9.290765
7.535096
9.943983
6.313379
8.053301
7.029954
6.194113
6.343654
6.923505
8.792947
9.119984
6.954878
6.174825
8.580050
8.376431
8.139241
6.563753
7.118580
6.066668
7.732734
8.554659
7.999588
8.229820
9.835093
9.289056
9.467650
7.257866
8.564913
7.170217
5.675893
9.092013
8.594928
8.406201
8.509232
7.281899
7.055940
6.199713
6.906644
8.889737
8.877529
5.847774
7.460005
9.190893
7.126865
7.559984
7.720389
7.533128
9.135838
6.927519
8.845180
8.999969
8.079775
6.348277
9.204077
6.816553
7.456099
8.382397
8.322825
7.372600
11.330180
8.531022
10.055727
8.769921
10.522538
8.335459
11.469588
8.969024
9.327677
9.897519
8.529679
11.277932
10.166082
8.463149
9.208655
8.178961
11.492294
10.440382
10.535966
9.970641
10.628010
9.500412
11.865596
8.128422
10.557451
10.420728
8.041261
11.599109
8.056642
10.545732
7.449629
7.653371
5.951415
7.791803
7.879330
6.619160
8.476760
7.993103
5.179418
6.461562
8.877529
7.385296
7.443037
7.365764
7.624928
8.443190
5.371319
7.268838
6.540422
5.390118
5.294900
8.398389
7.750298
7.498825
5.155492
6.552995
7.538255
6.320688
6.823878
5.000946
# Label of molecule (49)
0.151771
# Number of Instances of molecule (50)
3
6.458900
6.696768
6.845301
7.320513
10.801334
8.294090
7.759771
6.303512
9.374621
5.936850
7.646611
7.192586
8.335432
8.365802
10.920798
9.825894
7.753656
10.204054
7.402103
11.055852
7.914412
6.758093
9.648041
8.084484
6.616541
9.480723
7.837051
7.216228
8.073918
7.601147
6.808466
7.361461
5.514237
7.906156
8.174841
9.272774
7.447035
6.645497
5.993622
6.348003
8.211707
8.366985
9.234809
8.837214
7.423231
6.296731
8.299722
5.426222
6.812494
7.313730
6.434919
5.567339
5.401563
6.306253
7.888089
6.706046
8.608692
6.865474
8.680715
6.782952
5.767586
8.278649
7.562929
7.963454
7.091845
6.808267
6.693762
7.740791
8.825419
9.061144
6.716346
7.088794
7.783639
6.567171
6.393704
5.511475
7.303278
6.085467
7.038621
5.427610
7.093677
5.621464
7.626041
7.714911
8.829691
6.342189
8.835429
8.589694
7.362728
8.765358
# Label of molecule (50)
0.056061
# Number of Instances of molecule (51)
4
7.832191
6.176704
7.328970
7.825770
11.396002
5.478380
9.637721
6.375490
6.701739
5.603754
6.189132
8.487426
6.916003
8.072856
8.815948
8.446136
10.193699
10.457784
9.215027
9.982937
9.361134
6.204701
10.375415
7.651119
8.574204
9.841517
8.020735
9.286593
6.759094
9.484444
9.033143
8.144688
6.122410
8.555712
9.509598
6.008148
8.847224
9.518876
8.407880
8.111484
7.227424
7.305429
8.599170
8.670461
7.354991
8.529221
6.269875
7.817530
9.259346
5.730796
6.313700
6.589465
8.827204
5.846644
7.621601
8.845393
7.057863
6.293924
6.646352
6.988281
5.546632
6.299219
8.884869
9.021104
5.695318
9.166128
7.612613
9.517823
7.905225
9.061144
6.992477
6.134297
9.108753
8.504608
9.425779
7.826121
8.846538
6.866741
9.012680
7.502869
6.346706
7.293878
6.660192
7.934400
6.503449
5.562624
7.525208
6.274071
7.127491
5.739753
5.615238
9.290765
6.556307
7.434263
6.797891
7.898022
7.702460
5.556032
6.874310
7.398129
6.800089
9.092517
6.432035
8.334193
5.903455
5.808847
7.459899
6.533601
6.027848
8.952620
8.114460
7.970290
7.444273
8.596286
5.385861
8.557344
7.309748
8.597873
6.037248
7.744331
# Label of molecule (51)
0.123094
# Number of Instances of molecule (52)
3
8.617495
6.681940
6.726353
9.450811
8.502776
8.231947
9.094933
7.045843
9.223064
6.215114
5.657378
8.565217
7.295964
7.353751
9.854757
9.181439
10.406191
10.368311
10.967248
7.632446
9.173527
6.770310
8.679572
8.915607
6.826750
10.578406
8.903495
7.766257
9.181915
8.453263
6.870403
9.290765
8.784402
8.136677
6.107929
8.707495
6.869060
9.298944
6.195578
8.582614
5.951674
6.279199
8.879498
8.307825
8.824320
7.243706
6.556551
9.259148
9.315912
5.986953
9.012925
5.466796
6.510163
5.973647
9.090808
5.620975
6.581210
6.651402
8.161092
5.787118
8.249214
6.183233
8.808557
6.561663
7.845027
7.545824
5.449690
6.786889
7.883969
8.074404
8.877529
8.179388
9.291726
8.844935
6.100467
6.634053
8.578082
8.679525
7.191687
8.655843
8.513260
8.003845
8.943449
8.086489
6.732322
7.039583
9.140843
8.107120
7.144932
5.708731
# Label of molecule (52)
0.185860
# Number of Instances of molecule (53)
4
8.866181
8.078437
7.529000
8.920529
8.691562
6.692594
7.602607
7.915785
7.917927
7.066022
7.167655
8.842764
8.451051
7.527977
9.864847
8.151908
7.857201
8.453987
9.354138
9.340688
7.749673
5.334645
8.063616
7.074513
8.277787
8.303422
7.261076
7.671904
9.536131
7.495326
8.596637
8.027772
8.899380
8.485672
9.706656
6.478896
6.900052
8.164251
6.055788
8.038026
8.877529
5.891110
8.120304
9.553209
7.466353
6.058718
8.145329
9.491562
8.372021
7.561693
6.378430
6.468886
8.473098
6.276742
9.636708
6.399060
9.198218
6.347423
9.585559
6.133061
5.772698
7.135655
8.826502
6.474013
6.777856
9.059053
9.383526
8.809656
5.888058
8.122990
8.877529
6.600726
9.294900
6.798730
8.953948
8.009095
9.221046
7.703421
5.808954
7.069735
7.340251
5.567858
8.980193
9.108249
9.532945
6.823389
6.410657
7.963317
7.352092
8.677816
7.889676
7.875759
7.460097
9.322214
9.533525
9.128361
9.581622
9.518876
9.701132
7.802759
7.637471
9.623127
9.642903
8.461226
7.377575
6.784661
6.402936
9.839930
8.082797
6.897824
9.425367
6.253517
6.043184
8.956114
7.497208
7.619160
7.310190
8.211585
9.402905
5.970916
# Label of molecule (53)
0.180369
# Number of Instances of molecule (54)
4
9.504355
7.431313
7.111874
7.474334
11.740201
6.134175
8.787836
7.743766
8.728185
6.488515
7.332546
9.052347
6.175383
9.065890
9.523846
7.160679
9.987757
6.921260
10.246516
9.903218
7.602550
6.572539
9.439034
7.493716
5.932492
8.494459
6.812392
8.878146
7.831647
10.993785
10.305063
8.602741
8.994598
8.323069
8.225898
8.565264
6.462661
6.681295
9.874386
7.568407
8.877529
9.459212
9.402326
8.851772
7.020905
9.873531
9.689566
7.646901
8.661824
7.940489
6.624775
8.030824
8.785241
9.792474
10.003662
7.052034
8.627522
6.707175
8.917936
8.506180
7.026902
6.245994
8.023392
9.225578
6.505402
6.328761
7.870800
8.311121
7.236503
9.061144
8.751686
6.483428
6.869793
7.067797
6.092303
8.311975
8.310389
8.446623
9.677129
8.614231
9.437132
6.308252
8.814920
7.960768
8.437346
6.590976
9.312250
6.891888
8.635838
8.522675
8.956114
6.374004
9.831019
7.059328
6.286843
9.272774
9.199042
8.356120
7.643452
7.466811
7.732322
7.303232
6.641713
10.060640
6.720450
8.666433
6.180883
6.611316
6.681509
8.408368
9.598468
9.357494
7.467421
9.381664
6.442732
8.720511
7.173223
6.732780
8.739677
8.454024
# Label of molecule (54)
0.232017
# Number of Instances of molecule (55)
3
7.599055
6.215471
5.866454
9.977534
9.813553
7.379364
7.354940
8.362030
8.934882
5.940665
7.875030
8.841006
8.504760
9.259954
8.329063
6.835592
7.238686
9.979036
10.022904
9.623799
10.331254
5.936518
8.978312
7.184372
7.640826
9.862676
9.695487
8.506548
10.171364
7.496481
7.140767
6.479247
7.046648
10.147084
9.445891
8.250542
6.404294
6.820322
6.449583
6.585574
7.229392
6.765145
9.495819
10.156240
9.210776
8.774606
8.842601
7.104877
9.633030
9.509613
9.265099
7.025407
7.443999
10.147328
8.932081
7.746742
7.033830
7.521393
7.930952
9.797952
5.874523
6.485382
9.029649
8.437712
8.613865
6.108051
7.830760
7.521302
6.308985
9.061144
6.852702
8.266442
8.064409
5.535401
8.511444
5.366085
7.379086
8.564302
6.267968
7.346614
6.437162
6.940107
8.883648
7.652287
6.671789
5.936903
7.385800
7.224052
7.977859
6.712683
# Label of molecule (55)
0.099784
# Number of Instances of molecule (56)
3
6.436702
5.334774
8.205732
8.943936
11.250467
6.181218
7.486569
7.077548
9.652884
5.401112
5.985183
9.369927
5.655399
9.036904
10.610918
9.494334
8.675452
9.757023
8.102830
9.753702
7.543281
5.596576
9.754812
6.852368
8.689421
8.163791
8.426023
8.330713
8.733257
9.509051
10.130741
6.652852
7.126743
8.565142
9.177343
9.151952
6.831202
8.576006
7.972350
6.817652
8.877529
8.825159
7.401410
10.052004
7.665456
7.074862
8.434767
7.700003
9.857295
6.608173
6.918973
7.680837
10.338511
10.168706
10.174932
10.328257
9.670278
8.546953
10.273446
7.817682
6.222770
8.410459
7.025040
7.575106
5.810892
6.757576
8.659001
6.553835
6.298700
5.963973
6.425047
9.431364
9.747536
9.690161
6.529542
6.991836
8.174001
5.989120
5.905866
6.208731
9.280236
8.124439
8.613346
7.871136
6.987930
7.098163
6.726325
5.858135
7.653478
9.266930
# Label of molecule (56)
0.182774
# Number of Instances of molecule (57)
4
9.351433
7.243388
7.232236
6.712781
9.882465
6.338513
9.258764
6.492270
7.340389
5.380418
5.086659
8.930176
7.869457
7.130393
10.356595
9.181978
8.391823
8.656303
7.864847
7.562880
9.551425
6.668827
7.121703
8.208404
8.130906
10.506558
9.519322
8.710097
9.651047
10.568073
9.269570
6.588214
9.888852
6.239814
9.295328
7.615711
6.783044
8.828639
9.755181
8.006592
7.789300
7.323222
7.357768
9.486007
7.517441
9.989929
7.603259
7.936277
6.602496
8.897244
9.975158
6.669881
8.706198
6.325877
6.844203
8.194708
9.166295
6.858364
9.459151
6.345897
8.084262
6.349223
7.015137
8.053011
9.534379
8.559618
8.200842
9.518876
6.800531
7.074099
7.551164
9.008362
8.381634
7.330699
6.479843
7.990631
6.016327
5.889004
7.593402
7.045778
8.064119
8.141514
7.380139
6.212256
9.595904
7.515519
7.547868
6.013520
8.571703
8.043367
6.843669
5.539552
8.882183
7.323176
9.170644
9.069445
8.810648
7.195975
6.092303
9.061144
8.587741
7.974197
6.740883
6.633702
9.024033
9.048570
7.438292
6.493316
8.791360
7.729072
5.262810
7.080981
8.798685
5.530641
7.329646
7.212210
6.217307
6.136616
9.154042
7.085498
# Label of molecule (57)
0.148032
# Number of Instances of molecule (58)
3
7.890421
6.297658
6.846513
8.496174
11.608160
7.239203
8.214542
8.148065
6.704725
8.067123
5.741423
6.184087
7.789344
6.202629
10.192476
8.008623
9.259031
9.892568
10.057165
9.382681
7.948364
8.316210
7.162862
6.765169
8.506382
7.989611
6.868786
8.383858
9.963986
7.455585
8.770775
8.353404
9.640309
8.119266
8.787011
9.809748
11.855464
9.086337
10.230659
8.374645
10.030091
8.325449
9.489792
9.434736
9.554369
10.354930
9.969176
10.073183
9.855403
9.223792
9.113315
10.821619
10.556719
8.165288
11.921018
11.059786
11.317850
10.337352
8.828150
8.439222
7.860271
6.732795
9.657811
9.691259
6.762093
8.317804
6.276605
8.141896
7.399197
8.087817
6.527711
9.497528
9.747536
8.607730
7.878948
9.890484
7.764199
9.307337
7.143818
7.620273
8.848460
9.919904
8.578555
9.995590
6.793832
8.570376
8.658635
6.260125
6.108509
6.885510
# Label of molecule (58)
0.164493
# Number of Instances of molecule (59)
3
7.759269
8.381404
7.199116
9.217491
10.466531
5.596762
7.751749
6.670098
8.041326
6.565471
5.815586
6.062331
8.069989
7.557272
8.355930
9.026394
9.007350
8.920271
7.744246
8.789810
7.593917
7.030028
7.384040
8.393424
9.126898
9.096259
8.754077
8.633908
7.445400
8.219902
10.691733
9.561327
11.153539
8.087649
9.623096
10.625324
11.228004
11.093966
11.534898
9.707572
9.943663
11.909299
11.129856
10.588214
9.692434
8.001953
10.812098
9.509812
8.806665
11.587390
11.500107
11.150243
10.775719
9.454634
8.089358
11.273293
9.548387
8.161870
9.939024
10.936491
7.008438
7.380032
9.265587
9.167928
8.501404
8.953932
6.573855
6.568361
10.193594
6.759651
7.126972
9.480316
9.747536
6.811533
7.961959
8.330622
10.195059
7.395047
7.193136
10.195791
6.437742
8.976394
8.416196
10.065661
7.397610
9.792215
8.197928
6.476806
10.189932
7.993210
# Label of molecule (59)
0.171637