# Number of Dimensions
30
# Number of Examples
60
# Number of Instances of molecule (0)
5
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
11.714979
11.185854
11.721481
11.779595
11.969246
8.990650
11.092654
9.713083
9.856133
12.387561
10.623405
10.096989
11.009614
11.802624
8.055361
7.632984
8.278512
8.400952
7.219153
6.154302
6.468642
6.512833
8.772057
8.080142
8.877529
8.716269
7.428022
7.043001
9.540147
8.829554
8.140690
8.740806
7.256508
5.707999
7.746269
6.386364
8.966887
9.316630
6.037965
7.994934
7.241981
9.573717
7.144078
6.881252
6.633457
9.290765
9.245964
9.512085
9.939344
7.254082
8.292077
8.189413
9.184927
6.252220
7.436460
9.706793
8.342372
8.118122
7.133839
7.752266
7.806223
6.760659
7.881298
8.281823
9.974990
8.804056
7.030686
8.278283
9.262688
9.060900
8.717139
8.284143
7.414609
8.217978
8.031678
9.135472
5.585559
7.931089
9.005585
8.964202
8.431227
6.549333
5.171361
5.885739
8.877529
8.668172
5.477645
7.276772
8.267769
8.939421
8.978729
6.101810
6.764794
7.012848
6.354015
6.739647
5.601062
6.983551
8.857387
8.644246
5.444807
5.611438
5.569567
7.217811
8.554613
5.991546
8.751030
9.662435
6.457137
7.155644
8.448531
9.518876
8.255165
8.648610
6.622425
6.198340
7.591937
8.734184
7.972930
8.410443
9.400586
6.276223
6.297586
8.092563
7.360240
7.752098
8.178137
8.545701
7.783227
7.100589
7.784570
8.341105
8.804743
9.783532
# Label of molecule (0)
1.000000
# Number of Instances of molecule (1)
5
10.629426
9.124545
9.640147
10.629873
12.468478
8.984617
11.189020
9.294509
10.424521
8.904770
8.494089
10.057028
9.632436
9.874893
12.699620
10.529102
10.393205
7.558589
8.593857
10.287737
8.138421
6.334849
7.751268
8.793710
7.016327
11.208300
9.861018
8.036340
8.822416
9.346506
8.557207
6.393200
8.598956
8.695029
4.989593
5.389996
8.510819
7.830012
8.755943
5.733390
8.877529
5.810297
7.926084
6.244514
5.804315
4.982635
5.693594
5.895871
7.585986
5.182226
5.763298
6.374401
8.216010
5.493759
8.576250
7.759697
6.669454
7.318033
5.743400
5.195654
6.570574
8.932096
7.467818
5.714957
9.030000
8.594928
8.040712
5.523667
8.092227
7.099155
8.877529
7.585864
6.746117
6.029054
7.422040
5.783197
6.615619
7.898373
8.038148
7.106845
6.535173
8.149358
8.206366
8.356273
6.961943
7.269448
5.494369
9.142674
7.598071
6.900784
10.182562
10.399243
8.954497
9.566820
10.326365
8.218268
11.173315
8.698508
10.519974
8.746361
9.126988
9.661794
10.014466
10.800256
10.691977
9.091952
11.707877
10.402905
10.894864
11.855098
9.908261
10.221015
10.796960
10.683676
10.932951
8.118900
8.152226
9.118564
9.918027
8.705222
6.760048
9.290765
6.605991
8.332484
7.292779
6.865398
7.377255
8.920759
6.249779
7.139943
5.766610
6.838664
8.488617
8.632054
9.176626
8.694067
9.025010
6.842936
5.890271
7.946120
5.984146
9.132557
8.644017
7.479919
9.387204
7.710517
8.971297
8.484222
9.148427
6.620518
# Label of molecule (1)
0.942084
# Number of Instances of molecule (2)
5
10.430983
8.919851
9.753689
10.542335
12.598808
9.034204
11.370268
9.104014
10.453865
8.909378
8.486228
10.013224
9.576426
9.727301
12.470117
10.704358
9.501403
10.312335
9.273890
9.829614
8.981719
6.939800
8.873864
7.705745
7.224289
8.001566
7.828028
7.602359
8.883617
9.835988
7.229743
6.989257
7.831690
7.290658
7.551653
9.272774
5.671712
5.858730
5.924162
7.177129
6.597400
7.484634
7.673238
6.438337
6.817255
7.951079
9.162908
5.634114
9.134098
6.048921
7.545183
9.130802
7.393078
8.738334
6.627308
8.803644
7.235969
9.520829
6.729728
8.905332
8.140416
6.185766
8.600391
7.521134
5.672567
9.272774
7.204352
8.530564
8.115513
5.600177
6.651601
5.892911
7.902005
7.711447
6.779656
8.040437
6.780633
7.222053
7.140873
6.611927
7.003174
8.454024
6.388775
5.802820
5.628254
5.843959
8.969665
7.924100
7.818018
7.499161
9.016099
9.290765
7.167165
8.634129
5.795419
5.775277
6.606235
8.904645
5.468749
6.532136
7.566347
6.094745
6.044572
8.005570
8.732398
8.129597
8.624851
5.442503
9.125111
7.840281
6.029191
7.215018
6.425321
8.500946
5.536866
7.914380
5.602298
8.575655
5.620243
6.595737
11.242897
9.241249
9.504440
11.434065
11.416120
9.639576
11.334208
9.582080
9.339152
9.503708
10.032533
9.237953
11.065523
10.273141
10.350536
8.663472
11.019013
9.420209
9.496261
10.225654
10.056215
11.460067
10.396558
10.120914
10.645589
8.732810
8.262459
10.310617
9.038606
10.335520
# Label of molecule (2)
0.898307
# Number of Instances of molecule (3)
4
10.389154
8.971838
9.732233
10.594516
12.399875
8.677865
11.162289
9.314868
10.275193
8.489628
8.836695
10.214839
9.704682
10.060300
12.224574
10.812145
10.174737
7.064595
9.257680
10.481323
9.491922
8.160764
9.000662
6.312685
7.032874
10.492690
6.821200
6.839232
9.012513
9.151384
7.605533
8.057329
8.489349
6.811075
9.066637
7.272271
7.429991
5.729377
7.867504
9.061144
8.119221
7.277764
6.718299
7.963088
6.023331
6.430570
7.323664
5.717170
7.612613
8.524262
6.766396
6.398221
8.460051
9.312006
5.665654
6.857341
7.551454
6.009415
6.483062
5.342891
6.466826
9.290765
5.926649
7.650090
6.920698
8.469207
9.376095
7.032640
8.894513
8.078814
7.726508
8.471526
7.374569
6.381497
7.312433
6.168966
6.071917
7.459777
9.171255
5.905042
6.494049
7.290338
7.329524
5.527833
7.790231
6.122456
6.301660
5.438963
7.744697
6.036393
9.376171
6.637562
5.722129
6.423688
7.026368
9.272774
7.484146
6.727409
5.538652
7.866115
8.321451
6.855220
9.269601
7.621235
8.279946
6.206763
6.529893
5.682455
7.307993
8.473800
7.345958
8.147740
7.730003
6.568468
6.990234
8.383099
6.931639
8.546556
5.664388
5.519364
# Label of molecule (3)
0.765386
# Number of Instances of molecule (4)
3
10.475563
9.049940
9.604641
10.845389
12.093894
8.774599
11.359604
9.015673
10.451430
8.472412
8.457254
9.720915
9.158779
10.079598
12.835467
10.279697
7.984191
7.372966
9.997036
7.965396
9.071090
6.928161
8.469791
6.686771
8.236623
10.483126
6.750304
9.204281
9.140968
8.622970
6.747230
9.290765
7.943434
6.114521
6.712073
6.277734
8.897687
6.488311
9.699713
6.752846
7.237236
9.272332
8.451872
6.716468
6.662145
7.759590
6.393948
8.969955
7.093799
9.294061
8.521821
9.964003
6.479644
6.177023
7.591494
6.859539
9.589236
8.725074
8.491424
6.173116
7.130299
8.848125
6.356594
7.990677
5.936903
8.341395
8.759011
9.031236
6.803507
9.061144
7.840037
6.461333
7.069262
9.251091
6.402982
5.956191
7.377865
7.654241
6.687414
7.658879
5.502197
6.550691
8.611179
8.776223
8.472137
6.004166
6.004044
7.322199
5.881970
6.696081
# Label of molecule (4)
0.740552
# Number of Instances of molecule (5)
3
10.412384
8.950197
9.543927
10.533685
12.321095
8.850931
11.520434
8.943271
10.337567
8.496683
8.846538
9.683954
9.339457
9.813412
12.587779
10.431240
8.946900
7.304080
8.528670
8.867682
8.261742
6.001159
8.028432
8.123329
6.151895
11.642376
7.812345
7.061672
7.155798
10.327203
9.900159
6.337916
9.071642
9.050035
9.177236
9.179189
6.276391
7.210257
7.972488
9.061144
8.348109
7.454772
9.546632
8.899762
9.505615
9.020615
9.558351
7.977248
7.772530
9.890881
7.476379
9.058458
6.947188
6.797647
7.202078
9.500244
9.720954
6.406034
8.277551
6.226951
5.929563
5.323710
7.920713
7.277749
8.078310
8.874477
7.967223
5.321512
7.798151
6.034547
8.877529
8.000061
7.123936
8.729698
9.033906
7.925230
6.687887
6.966094
7.540696
6.513321
5.318949
8.385693
5.882199
7.926328
7.852718
8.811609
7.729179
7.191687
6.527360
7.662404
# Label of molecule (5)
0.774130
# Number of Instances of molecule (6)
3
10.430790
9.065885
9.634149
10.602082
12.230687
8.909055
11.394016
9.343917
10.174961
8.516680
8.370771
9.635336
9.204363
9.746805
12.793693
10.846287
9.582079
7.677552
7.530061
9.130258
8.456233
6.617557
8.337129
6.960001
7.174546
8.012564
9.173973
6.471889
8.544261
9.005591
5.398144
8.665090
5.992767
8.986389
8.644826
9.272774
6.448836
9.063295
8.163732
8.006256
5.806482
8.496261
7.805689
7.354747
7.583758
6.895383
7.432020
8.865658
6.719596
7.341319
7.344249
6.176855
7.391369
6.569323
5.704917
6.198950
9.008728
8.741142
6.826777
6.818720
8.937223
6.237190
7.852351
9.154759
8.889004
7.908139
7.305826
7.757866
6.707175
6.469863
8.877529
6.139897
9.158422
8.355541
9.616199
9.915891
7.234413
8.474441
6.550676
7.057283
9.019745
6.932279
8.443800
9.265358
8.549883
8.899869
6.724754
7.928892
8.537309
8.005066
# Label of molecule (6)
0.823135
# Number of Instances of molecule (7)
3
10.545671
8.997229
9.500251
10.722606
12.391949
9.199990
11.478762
9.264373
10.275558
8.753060
8.311478
9.991543
9.234374
10.020762
12.818026
10.873573
10.422855
8.916821
9.940472
9.279082
8.483417
8.220403
10.279708
7.813378
8.716898
10.860178
9.206521
9.435129
6.971755
10.450930
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
11.053682
10.088931
11.478133
11.880001
11.671621
11.065401
11.303568
10.219184
5.698477
6.056032
8.368114
5.455550
7.753227
6.479507
8.503372
7.964049
8.528153
8.002747
8.877529
6.498184
5.851314
8.580279
7.182165
6.254524
7.280923
8.822108
5.125340
8.478835
5.887692
5.560411
7.367473
5.637318
8.186346
5.595202
8.041810
7.455733
6.590106
8.493606
# Label of molecule (7)
0.853146
# Number of Instances of molecule (8)
5
10.642832
9.102381
9.561538
10.663807
12.507938
8.673178
11.514272
9.226444
10.306793
8.787836
8.712874
7.627584
7.975869
7.762935
11.351888
8.089787
10.377920
8.434290
7.308289
11.056544
9.788150
8.366038
8.864238
7.438281
8.653876
10.456348
7.253342
9.443433
6.755682
10.197814
6.936155
8.686331
8.403119
9.647786
8.664968
9.272774
9.292184
9.390942
7.424574
7.231086
7.521744
8.246620
8.700247
7.355846
7.768090
9.341014
9.250191
9.731651
7.561785
9.023377
6.546617
7.043458
7.333262
6.173315
6.396588
7.473281
9.327464
6.029878
9.617267
6.555773
8.558687
9.290765
6.501984
8.176107
6.840617
6.372463
9.185904
8.116779
7.952223
8.690405
6.833171
9.226676
7.221854
9.106067
8.063677
8.556246
8.809915
7.658147
8.003128
6.484893
9.086901
8.059648
9.767586
6.715491
9.191641
6.782266
9.814341
9.790292
9.643803
6.099750
5.208121
7.790353
8.787942
6.929487
8.956404
6.942793
5.814951
7.439146
6.221458
9.061144
7.739570
6.024186
8.894147
7.417539
8.592624
5.753426
6.755531
7.848338
6.064470
8.630222
8.793191
8.438566
6.425077
6.273705
8.696387
6.793130
8.313318
7.123585
7.406430
6.268822
7.654225
6.599139
8.928800
8.251900
9.016205
5.944823
8.457350
7.123936
7.220740
8.601154
8.877529
6.577166
5.439802
8.595050
7.101108
7.792291
5.294168
7.403974
8.351390
7.990417
6.106937
8.828822
6.521012
5.801019
7.336833
8.451491
6.398938
6.155034
7.065584
9.055635
# Label of molecule (8)
0.724610
# Number of Instances of molecule (9)
4
10.501400
8.941003
9.495080
10.561334
12.304852
8.825057
11.296253
8.983823
10.440967
8.550616
8.312748
9.898144
7.559012
8.746677
12.426536
9.192903
9.637817
6.856381
9.012339
8.235932
9.428453
5.405346
9.252156
6.548588
6.942376
11.481465
9.928799
7.494201
9.899042
8.857371
5.979736
7.125889
6.157353
7.662038
8.266793
8.569170
6.821680
8.041200
5.399396
8.074038
8.877529
6.720969
5.945555
8.720176
6.010987
7.657643
8.196600
5.702506
6.659444
8.001892
5.415510
5.566027
8.754967
6.407117
7.670461
5.306009
7.991150
5.392315
7.628956
7.211707
8.398984
8.037523
7.447417
8.775460
8.527772
6.112659
8.385311
6.358394
8.192801
6.925428
6.519288
9.421232
9.747536
8.842235
5.928938
8.415830
8.656072
9.497284
7.050310
7.985153
5.928327
8.464293
8.106983
8.207938
8.141041
8.795236
7.065203
6.899670
6.419309
9.300501
7.598453
9.290765
9.496216
9.663213
5.878918
6.593417
6.188375
9.173574
6.001358
8.370205
8.481170
7.700262
8.448943
5.742927
6.940718
8.410001
7.701971
7.753975
7.595767
9.156362
7.861034
7.474792
8.055620
8.662328
8.855083
5.982559
9.152089
8.759011
6.610752
6.077532
# Label of molecule (9)
0.703823
# Number of Instances of molecule (10)
5
10.364793
8.986692
9.558512
10.596079
12.614892
8.980264
11.322285
8.918387
10.317947
8.674032
8.345563
9.733633
7.904938
8.840667
10.973978
8.311090
8.736476
9.898021
8.856328
8.521581
10.155081
5.729032
8.118385
6.113907
7.740926
9.486581
8.673943
8.582736
8.023065
7.444726
8.690725
6.941527
6.974242
8.392499
8.672658
9.272774
6.447249
6.392804
6.783197
6.811518
6.082125
8.465865
8.061800
7.379894
9.131046
8.656178
7.272713
8.972839
9.024964
7.276376
9.889737
9.251534
9.431959
9.491409
8.945860
8.561327
6.369976
7.862209
9.628376
8.846614
6.420423
7.773003
6.652608
7.223914
7.073031
8.832362
8.129704
7.238441
5.272073
7.802423
8.877529
6.137944
7.219153
7.273354
7.519089
6.514664
5.992798
7.613941
7.852351
5.802973
5.970580
7.152257
7.846004
5.051363
6.117313
6.880764
5.689322
8.653890
6.016114
6.059084
9.551836
6.126072
6.509018
8.377483
7.907865
7.082034
6.651234
9.518876
7.289315
8.251381
6.530381
9.316599
8.527879
7.086184
6.359355
8.753960
7.985137
7.922880
6.021455
9.731407
9.411695
8.850154
7.004883
6.024262
9.672201
8.101352
6.389264
8.203284
6.214698
8.344890
8.279702
7.371960
8.074496
8.840999
6.981811
8.814753
8.527268
9.518876
7.998566
7.122929
6.290628
6.333110
8.260781
6.704825
9.385815
8.502609
8.382122
9.458083
7.500748
9.736900
7.954375
8.325358
6.861446
9.382275
9.711509
7.374767
8.157018
6.529649
8.434980
6.777703
# Label of molecule (10)
0.691981
# Number of Instances of molecule (11)
3
10.435210
8.914224
9.554432
10.627932
12.203537
9.114773
11.184010
9.170774
10.456613
8.745902
7.051559
10.022162
8.178672
9.440496
11.131969
9.375461
9.225359
7.880647
9.497157
8.275503
7.740222
5.259038
7.499221
5.815488
7.579949
10.383544
9.286440
9.030523
9.838722
7.826191
8.358974
9.290765
6.984298
8.898663
8.233238
9.238029
9.151112
5.982192
8.326380
7.965896
6.541780
9.926527
7.239555
7.768014
6.376736
8.754372
6.773843
7.097705
8.015213
7.147145
6.862224
9.313349
8.477142
7.482727
9.023301
8.478362
6.924970
9.616703
6.714759
7.091479
6.321543
5.983154
9.120090
8.330271
8.984466
9.083590
5.833003
8.564287
8.067446
6.360118
8.877529
5.385357
5.408307
6.571795
7.239418
5.974609
9.151341
7.132237
6.119144
8.260933
7.364422
7.794244
6.638813
8.397290
9.182348
8.386425
7.512375
5.979369
7.846736
5.481674
# Label of molecule (11)
0.715685
# Number of Instances of molecule (12)
3
10.392696
9.125156
9.738603
10.731295
12.307364
8.756287
11.370505
9.180061
10.552660
8.973613
6.529780
8.002691
8.626404
10.044026
11.893260
8.514623
7.828700
9.563721
8.687670
9.566461
7.609667
7.531092
9.299180
9.066940
8.276153
10.692454
9.758112
8.227330
8.327527
10.138549
6.583529
5.851085
6.553133
5.925916
7.722724
7.744819
8.119098
6.042009
5.902478
9.061144
6.312769
6.372707
9.466918
7.850536
9.537599
8.528047
6.907392
7.025315
7.624088
6.128315
6.421415
6.443754
8.182089
9.321772
9.525147
6.953902
8.693335
9.198843
9.595218
7.774606
8.274590
8.643742
8.674749
6.922742
8.268487
5.765358
9.140828
7.426176
8.271172
5.794046
8.048875
8.162404
9.747536
6.077380
7.866619
5.865215
9.306116
9.399991
9.078692
7.571932
7.194845
6.253044
8.976272
8.827586
8.851390
8.068041
7.187033
6.788095
6.382687
8.782785
# Label of molecule (12)
0.715942
# Number of Instances of molecule (13)
4
10.642407
9.136853
9.483920
10.566285
12.410122
8.711370
11.173983
9.456818
10.471703
8.631737
8.336923
10.057255
9.652185
7.702249
12.883442
8.121443
9.789400
10.006524
7.841969
10.077423
9.370118
7.076585
7.543257
5.966519
6.878026
7.841253
9.297074
7.141701
10.048522
9.849851
9.854137
9.290765
8.763039
8.719703
9.191885
6.822184
6.641758
8.782937
8.031693
6.762368
8.619846
6.976608
7.848216
6.613315
6.459868
9.299310
9.200430
9.574221
7.313776
7.756294
6.378323
8.205039
7.302545
9.784799
7.009812
8.832621
9.993667
9.608402
10.003189
6.573031
8.841121
6.487167
8.785089
7.749168
7.760521
6.902829
5.995575
9.518876
8.793268
7.379406
8.653737
9.486526
6.242409
6.389264
8.427168
6.923948
6.570544
7.192145
7.165777
9.543291
9.232368
7.935575
8.169103
6.859493
7.469375
7.498795
7.350963
8.483077
6.440901
8.952940
5.426756
7.875561
5.625492
8.195395
5.306146
7.222098
8.826518
7.767891
7.119068
9.061144
8.766579
6.432157
7.841136
5.803964
6.612339
6.452055
7.181692
9.239738
6.005753
8.465178
6.603793
7.072192
6.017960
8.783059
7.307184
6.201926
9.003647
8.621189
8.545503
8.623508
# Label of molecule (13)
0.731460
# Number of Instances of molecule (14)
4
10.469830
9.101395
9.542945
10.453126
12.407563
9.113449
11.110713
9.031252
10.475139
8.799302
6.210784
7.532062
7.324974
7.602986
12.793395
9.712610
10.294256
8.119131
8.401631
9.874722
8.369430
6.191908
7.201920
7.149978
8.849785
8.885856
6.888229
7.815561
9.472399
7.459975
8.032563
7.019715
7.985931
7.555498
8.818598
8.864498
8.391461
8.877926
10.298013
6.861751
7.154851
10.253334
7.666952
9.957305
9.680197
7.915494
7.178533
6.657033
10.112094
9.876370
7.555864
9.358531
8.511704
8.281961
10.148228
7.577349
9.961577
10.106479
7.703330
6.449873
7.181890
8.430830
8.133091
7.100833
7.195318
9.272774
7.037355
9.246406
7.171514
7.889187
6.171972
7.595843
7.152104
7.505387
7.088748
9.661214
7.325449
7.700705
8.514695
7.993927
7.877468
6.426008
7.463393
9.729453
8.584643
5.918424
9.279000
7.467055
6.024751
6.891110
8.200400
9.290765
8.217856
8.222373
8.925520
8.476043
8.655126
5.965835
8.661962
8.000809
7.021043
6.116962
9.265862
6.964400
6.734657
6.809488
9.329463
7.112720
8.323206
5.978286
6.469878
8.543916
6.472320
8.091754
6.360134
8.310266
7.006027
7.218558
8.376675
6.295434
# Label of molecule (14)
0.690346
# Number of Instances of molecule (15)
5
10.437314
8.961510
9.739715
10.512612
12.722518
8.874435
11.132759
7.982047
7.850217
7.999145
8.516943
8.564002
7.928341
8.140095
11.482308
10.904091
7.758368
9.070840
8.772287
8.694862
9.872737
5.795212
7.722832
8.457660
7.215300
9.308934
7.537570
6.135893
9.442239
8.700488
9.056749
9.290765
7.862499
9.129994
9.654546
6.833415
7.313898
6.615146
9.552004
8.180258
6.738319
7.937819
8.377407
9.640507
7.544496
9.904553
9.491455
6.998337
8.965926
8.901349
7.067675
8.439421
9.167348
8.800150
10.070452
9.404050
8.688086
7.480529
7.505676
10.248436
8.330149
6.591205
8.732749
8.213569
6.340587
7.175329
8.387768
7.906186
5.546129
7.240394
8.877529
9.043062
6.229621
6.119022
8.264107
8.241279
7.200110
9.052583
5.695547
7.224769
6.559587
8.053896
7.700980
6.167608
6.368419
7.700125
7.820002
6.654439
5.584948
8.730064
8.390698
9.058565
8.486404
8.473464
7.847591
6.655416
7.307169
8.074282
6.338023
6.236579
8.877529
6.474502
6.393811
7.876400
7.255898
8.570269
9.365703
7.491623
6.349254
9.391827
9.877682
9.642079
7.394208
8.884487
9.180761
8.259835
8.774987
7.306558
7.778497
8.185003
7.280404
5.956999
5.657430
8.822321
8.389203
9.272774
8.653371
9.141911
9.063417
7.652120
6.115818
7.114017
7.677267
7.630024
7.444594
8.382488
7.217170
9.017762
6.148412
9.252998
7.423231
9.640217
8.515427
8.910581
6.829951
9.003967
9.618366
9.255928
7.080813
7.768700
# Label of molecule (15)
0.513616
# Number of Instances of molecule (16)
4
10.652039
8.950825
9.725793
10.650778
12.240663
8.783381
8.468767
9.477402
7.840906
8.941504
7.113139
10.186953
8.422341
8.675075
9.457961
9.967608
9.090784
10.028781
9.731231
10.312772
11.071299
7.187783
9.587740
8.391906
7.925089
11.045835
9.060111
6.319928
8.222737
9.961449
6.508209
9.290765
6.841838
9.333491
8.316858
5.851451
9.467650
8.759011
6.076189
8.722022
6.946333
6.734535
8.399136
8.013871
7.823801
6.798379
6.541292
6.971847
6.861858
8.704077
7.015061
9.018540
8.132160
7.835276
9.130848
6.134053
9.726325
6.895306
8.344813
7.948195
8.405850
9.036973
9.054430
9.379635
6.457305
9.081530
9.486328
9.216666
7.767525
9.061144
6.618442
9.339351
8.565889
8.459563
7.150807
8.202841
7.658879
6.655065
7.026414
8.457854
6.980392
7.152882
7.963332
9.053453
8.071123
6.152852
6.601352
8.613254
9.363643
8.828349
7.644826
7.188635
6.859645
10.167364
9.582629
7.913633
10.345836
9.001923
7.663015
7.001862
8.877529
9.145116
7.451338
8.652913
7.777398
7.062654
8.523515
9.222022
8.138859
8.895962
8.953337
6.641133
8.794885
7.252968
8.730796
9.173315
7.902768
8.272164
8.983489
6.879055
# Label of molecule (16)
0.560340
# Number of Instances of molecule (17)
4
10.611416
9.152641
9.350343
10.603500
12.118486
9.090781
11.500544
9.162763
10.627551
7.943702
7.181580
8.912668
9.745465
8.504951
11.050785
9.460233
10.647759
9.554707
9.217096
9.785659
11.022064
7.157578
8.376297
6.588748
6.090813
9.264582
9.649835
7.461816
7.445511
9.188005
6.723670
9.279290
7.700385
6.161031
6.586825
9.055040
5.976699
9.378414
7.078173
9.061144
8.468963
7.627873
7.859203
9.271966
8.944563
9.680181
9.771493
8.987777
6.308496
8.046098
6.630772
7.677313
6.767861
8.269982
6.358180
7.439146
6.271020
8.025590
8.820658
8.953475
9.450911
6.495132
8.149113
9.387921
5.865474
7.725150
6.713279
7.940611
8.244942
7.524827
8.877529
8.129948
6.997223
5.897824
7.701224
7.151891
6.472671
7.200720
7.361370
7.814508
5.944945
6.423475
6.005249
6.766625
8.929289
8.088321
5.876827
7.533860
8.211371
9.638905
8.598560
7.834620
8.073031
8.473678
6.948973
8.204260
9.198920
9.518876
8.403363
8.981017
7.596088
9.100162
9.460524
6.666494
6.709464
10.057833
6.822626
6.642201
8.582202
10.214942
7.565325
6.888302
9.395459
9.544755
6.641835
9.319285
9.282418
9.142766
7.100345
6.610828
# Label of molecule (17)
0.632990
# Number of Instances of molecule (18)
3
10.664760
9.159078
9.585521
10.266043
12.299604
8.820214
11.377115
9.151154
10.576512
7.787672
7.395797
7.543885
7.573594
8.960188
11.152101
9.777962
10.023153
7.988928
8.596501
9.988936
8.465450
7.102749
7.322743
8.307945
6.855963
7.865999
7.418981
6.496386
7.463563
9.678642
7.206641
8.372204
9.888852
9.024567
9.349284
7.130345
9.327799
9.376995
9.068270
8.363659
6.986297
8.231208
9.266884
9.569506
8.649678
9.525437
9.283364
6.303903
8.328013
6.969085
7.483871
9.097446
9.298502
9.923643
9.474044
8.643208
6.953215
9.993225
9.800226
7.635487
8.732002
7.341823
8.882763
8.345393
9.726661
9.014359
7.191671
8.114673
7.129414
6.194449
6.004379
7.554964
9.747536
8.046678
8.406796
9.488128
9.850566
9.774148
9.580294
6.456175
7.201071
6.222159
8.782662
6.790170
9.703101
8.755318
6.131947
8.387875
6.541383
7.780801
# Label of molecule (18)
0.620629
# Number of Instances of molecule (19)
3
10.399674
9.054249
9.563265
10.265092
12.371210
8.697832
11.263774
6.970108
8.865690
7.540839
8.389378
10.149433
9.383157
8.483951
12.220512
8.642802
7.409347
9.575740
10.893324
10.804005
9.724681
6.794454
8.721838
7.768363
8.012727
9.853232
6.852137
8.532601
7.986961
7.789685
7.812891
7.260872
8.280923
8.026154
6.119724
7.078127
8.804010
9.518876
8.611011
7.602191
6.525987
8.348552
9.065615
6.176244
8.567064
6.554064
7.762352
6.481429
8.166295
9.096744
6.458602
8.392254
7.124516
9.383740
8.640919
8.635426
7.958281
9.283273
7.425428
7.130375
9.447462
7.848537
6.763054
8.198523
9.318186
9.272774
8.216834
7.816065
6.517197
8.822810
8.728202
7.656758
7.771508
8.798517
8.832087
6.596789
6.788568
8.208899
7.631611
9.400464
7.921903
7.564837
9.428419
8.679373
6.109958
7.476089
7.063967
8.346477
9.464187
7.927763
# Label of molecule (19)
0.586483
# Number of Instances of molecule (20)
4
10.402125
9.146544
9.340528
10.338952
12.193583
8.757193
11.556065
8.976982
10.273292
6.352678
8.413096
8.377891
7.614371
9.837360
9.389141
7.794296
8.417795
10.127045
8.876447
10.192790
7.817925
6.460956
8.218961
6.213448
7.862680
8.634329
9.236705
6.268444
10.207688
10.839905
8.187216
7.532655
6.072039
7.556093
8.952986
7.939650
8.395840
8.634861
8.067095
9.061144
7.115406
6.595248
9.399411
8.792825
6.688513
7.783151
8.770974
8.997055
9.890515
8.026078
8.621677
6.508087
8.649144
7.947707
8.482635
6.848796
6.372707
8.930280
6.127583
6.032487
5.455931
7.001755
8.337855
7.886914
6.925092
9.025254
6.961837
7.481140
9.046251
9.061144
6.768105
8.191733
8.302210
8.951521
8.958480
7.573916
5.998306
7.453795
6.516511
6.333155
5.867199
7.434507
7.481506
7.326228
6.478668
8.772439
8.712745
6.211325
7.329279
8.348842
6.661138
7.673376
9.724219
7.911176
6.834361
6.468627
8.425718
9.300745
9.758400
7.221213
6.562624
8.921827
9.747536
8.562685
10.049669
8.133595
10.310053
8.489441
9.547945
6.612552
8.690130
7.743690
8.176199
9.042680
10.215201
9.904523
6.713630
6.451781
7.322657
7.564364
# Label of molecule (20)
0.571519
# Number of Instances of molecule (21)
4
10.384251
8.930579
9.512765
10.365241
12.163917
9.144218
11.388057
8.843423
7.600164
6.952165
7.125760
9.912675
8.009264
9.533098
12.591420
10.788439
9.232484
8.716397
7.528567
8.211243
10.281669
5.588977
8.050229
8.377542
8.917608
10.851451
9.450252
7.535720
7.535550
9.305148
8.966903
6.467437
8.602145
5.917127
7.960524
6.093036
8.108600
6.771401
7.740059
9.061144
5.720099
6.592685
7.048021
6.617588
8.183676
7.451231
5.390255
7.185110
7.400327
6.270409
6.791543
8.948347
6.488678
9.049059
6.261864
7.931959
6.497833
7.763009
8.348842
7.445128
9.463210
9.081851
9.252876
8.269814
7.476943
9.272774
6.424665
8.720389
6.660878
5.959807
5.959563
5.609455
9.078188
7.007935
8.189367
9.366405
8.505173
8.923399
6.267434
7.082156
6.373516
5.876797
7.921049
6.669301
9.424635
9.219184
8.849910
6.701529
6.448592
7.362560
7.786172
6.206534
6.439940
7.793252
7.163228
6.177602
7.244407
6.573489
9.740944
8.265313
6.550783
7.277245
9.747536
8.922071
6.869396
9.411832
9.573092
8.206717
8.700018
6.454711
7.900067
7.245018
7.971603
7.951094
8.544862
7.182150
8.129322
6.290521
7.384304
7.502472
# Label of molecule (21)
0.647617
# Number of Instances of molecule (22)
4
10.536203
9.117227
9.620836
10.432849
12.095803
8.851819
11.306483
9.158952
8.115628
7.602376
8.079699
9.773487
8.227010
7.142661
12.140641
8.352554
8.324133
8.334579
9.917249
9.375990
10.556079
7.617664
9.591612
6.943816
8.303016
11.545782
8.620234
6.549634
9.873726
9.796016
6.932051
6.321436
6.140889
6.911420
5.544923
8.980209
8.717750
8.433195
5.915784
9.061144
7.229301
6.245140
5.578616
7.212577
5.494751
6.996872
6.103534
8.908795
6.421049
7.403623
7.431944
9.263421
5.974624
5.462523
5.704840
6.492706
5.833750
7.755318
8.456999
8.400845
7.699774
6.909223
6.053850
8.351161
8.893170
9.133412
8.566500
6.516877
9.365474
9.061144
7.039842
7.138966
7.144337
7.300470
8.527436
8.512055
9.758919
6.953291
6.978683
8.133381
9.011582
6.116718
7.148976
9.106555
6.244041
6.032853
6.188986
9.630985
9.969741
7.262383
9.635365
8.143986
9.638905
9.039888
8.061464
6.588153
7.757744
6.026734
6.754051
5.898190
8.877529
9.126194
8.203681
7.235633
8.003967
6.621967
9.366680
9.423811
6.348277
8.637043
8.875454
9.136448
9.173437
8.724937
7.741386
7.735893
8.321116
7.546678
9.424787
9.133030
# Label of molecule (22)
0.629514
# Number of Instances of molecule (23)
3
10.580397
8.958344
9.356850
10.484031
12.698642
9.168977
11.142724
8.017406
10.099540
6.994305
7.195641
7.887059
8.704267
8.749453
10.603617
8.218743
8.520192
8.723297
9.149955
7.910942
8.081135
7.845351
8.663197
7.329838
7.539092
7.863369
9.600637
9.365169
9.790730
9.689040
5.707266
8.867763
9.285867
7.495163
7.242958
8.149480
6.633686
9.423200
7.611744
8.552568
8.877529
6.315317
6.863063
7.144932
7.310221
8.389355
9.544664
8.317087
8.837489
8.843593
8.265328
9.503037
7.944029
7.434980
7.908139
5.583239
6.745384
7.424116
6.866115
8.840907
5.099826
6.771142
7.391400
5.816889
6.850856
6.078005
7.372967
7.978576
7.739677
5.086764
8.877529
7.361370
6.150761
6.975005
8.218207
6.016724
8.634236
8.050600
8.457717
8.879116
5.157201
5.411359
6.561907
6.781274
8.004089
6.285531
7.639332
7.837092
6.698996
7.924253
# Label of molecule (23)
0.500031
# Number of Instances of molecule (24)
3
10.518695
8.955456
9.685552
10.607927
12.391356
8.970612
11.580926
9.315673
9.064100
6.589984
8.210991
9.072524
9.266498
7.539895
11.945450
10.829903
9.180768
9.794971
10.884816
8.369527
8.907750
8.190391
8.180678
6.942905
8.404239
10.798731
7.317363
7.283801
8.100116
9.593384
7.763359
7.648000
8.269723
7.855892
9.179418
7.537767
9.177831
7.875790
9.250221
8.425123
8.877529
8.871059
5.527329
7.695120
7.493820
7.678274
6.810694
8.255806
6.339854
7.762261
8.682211
8.066347
5.806635
7.490524
8.720664
6.752586
5.620716
6.432142
6.270760
8.682577
6.443480
8.679510
9.789285
7.992965
8.412656
6.937391
8.428648
9.467742
8.908277
6.540773
8.673284
10.231315
9.747536
8.925977
8.888256
7.403958
8.304010
8.689154
7.028703
8.590274
6.979873
6.302118
9.968123
6.839854
9.357631
8.914991
8.192190
8.634831
7.906659
6.618900
# Label of molecule (24)
0.707031
# Number of Instances of molecule (25)
4
10.263727
8.838297
9.598601
10.606781
12.213382
6.632788
9.039847
7.231622
8.411563
8.668151
8.259696
7.881845
7.333615
8.946035
10.720360
6.757045
9.124456
10.151528
8.003613
9.311385
7.959097
7.819860
6.861357
7.106075
8.283813
9.821911
9.421572
8.082842
7.438796
7.528944
9.768975
10.653890
8.904569
11.663198
9.325968
8.519181
9.176916
8.717917
11.894528
10.423780
8.288339
8.088015
10.045106
9.618580
10.209052
8.951323
9.281899
10.249947
9.602954
10.506180
11.132908
11.561754
8.166021
9.998718
10.327464
11.465194
9.987121
10.304147
9.434980
9.350871
8.338633
10.018494
10.050478
10.372021
11.920408
8.597308
10.509110
9.529954
9.331706
10.335520
8.544206
8.337657
8.226569
9.130528
10.690878
11.203345
9.328166
10.677084
10.533891
11.301492
8.708274
8.107425
11.732780
9.538133
9.151769
11.998779
9.070467
10.069765
11.982788
10.622272
8.182775
7.767724
5.820154
6.347270
7.434828
9.272774
8.219520
8.136753
8.325358
5.992767
5.907071
8.142735
7.934477
7.940580
6.076998
8.222327
6.048677
9.327952
8.828425
7.245491
6.627308
7.644429
8.878353
8.996887
7.354259
8.101596
6.297342
5.632282
8.652150
9.320261
# Label of molecule (25)
0.393067
# Number of Instances of molecule (26)
5
10.353968
8.770923
9.379188
10.521990
12.381923
6.467092
11.548386
8.436573
8.257116
6.830809
6.911542
9.619404
6.869770
6.716980
9.118047
7.459655
9.200420
8.787620
10.645454
10.219209
9.818485
6.493758
9.131886
7.232827
8.843044
11.010808
9.290414
7.079941
9.214167
10.666848
6.097140
9.112247
8.119053
8.574267
8.530564
8.343181
6.693228
9.518876
8.097079
6.209815
7.315073
8.654225
9.445631
9.505570
7.395764
7.424696
8.729057
6.139378
8.351604
9.595660
7.557634
8.224403
9.380810
7.180792
6.318094
6.188208
6.795038
7.830470
8.736259
8.282144
6.763329
9.071749
8.673055
5.870724
6.417249
6.037355
7.369304
5.983886
8.567095
8.774621
8.877529
8.025208
8.382397
7.016388
8.713950
8.033021
7.439863
5.968017
9.146214
5.691519
7.113193
8.080874
5.907346
8.445143
8.329905
8.851894
7.465377
8.073428
5.571032
9.019135
11.824824
10.369213
9.848079
9.270180
9.349773
8.511246
9.132237
10.375683
10.668538
9.535203
8.224860
11.480331
8.940703
8.208014
8.966338
11.060884
10.135563
10.624348
10.194281
10.063906
9.858455
10.667806
11.395489
10.207831
11.546861
11.498154
11.912229
11.745964
9.906064
10.434400
7.141896
9.290765
6.340480
6.175924
7.797678
6.472930
6.662755
8.394253
7.230522
8.371914
7.772408
7.766671
8.059160
8.882427
6.052507
9.052110
7.613712
6.581820
8.629612
7.803293
6.200583
7.880566
5.962783
6.856487
7.735420
6.194357
6.988327
7.282281
8.617038
7.517396
# Label of molecule (26)
0.421662
# Number of Instances of molecule (27)
4
10.605078
9.214226
9.564250
10.441043
12.085871
9.195676
10.238645
6.942547
10.623451
8.075787
6.380955
9.381808
8.414690
6.503181
9.422700
7.250987
7.915237
9.537903
9.157543
10.108110
10.692001
5.878226
9.732462
8.151654
5.898377
8.697689
9.005220
6.864559
10.127004
9.323863
6.174169
7.586810
6.143529
7.642232
6.715201
9.272774
6.136204
7.576434
8.816462
8.651296
5.845180
8.253945
6.909421
7.847316
6.124607
6.633045
7.319224
5.721030
7.770653
7.828516
8.789605
8.332926
8.386883
6.618519
9.030824
7.962065
7.709128
7.194464
7.667013
5.555498
5.454207
8.979095
7.757744
8.224189
5.157567
8.959441
7.006012
5.264382
6.929960
6.058596
8.877529
5.452986
6.611591
5.600574
8.039613
6.015748
5.792108
5.890500
7.926206
8.174505
7.022614
5.617542
7.789727
5.091891
6.051149
6.810694
5.214576
7.058748
7.458052
8.225166
8.639576
6.610340
7.628193
6.337016
7.056276
9.272774
7.439833
8.866024
7.775414
7.462783
6.865841
9.102725
6.139866
5.921720
6.230323
7.509049
6.597400
6.118992
8.948668
7.882839
8.600146
6.591052
6.765862
7.740013
8.528001
5.835170
7.458754
8.939512
8.010407
6.633900
# Label of molecule (27)
0.464050
# Number of Instances of molecule (28)
3
10.610792
8.754001
9.658326
10.791314
12.588219
8.192527
9.922498
7.625179
9.818866
6.999026
8.171858
8.215522
7.840757
7.953005
11.146552
6.857171
9.671030
8.396676
8.904039
8.426057
8.144138
8.333525
9.315887
5.852310
7.748484
10.421918
9.441229
8.019006
8.530172
8.162717
6.347636
9.222724
9.006043
8.526536
5.474197
9.272774
7.097903
7.654073
8.893246
8.171056
7.479385
8.354045
8.837336
9.087100
5.990570
7.571673
8.260048
7.429701
6.987548
5.842616
7.048708
8.461348
6.598987
8.591357
8.794122
9.373974
6.226173
7.827540
6.989013
7.200934
7.640309
8.047670
7.295816
6.808252
6.517960
6.366344
6.180792
5.741081
7.543748
7.276162
8.877529
7.937559
7.024812
7.135044
7.368694
7.982116
6.234382
9.364238
7.992492
6.592792
6.563494
8.250069
9.137181
5.606800
8.227851
8.208197
8.178289
6.365001
7.403363
7.882015
# Label of molecule (28)
0.425910
# Number of Instances of molecule (29)
4
10.322851
8.955006
9.630935
10.545134
12.377282
6.685581
11.483916
7.353385
10.366679
7.927910
8.401576
8.339347
6.970226
7.745913
9.189895
6.547837
10.382287
7.652736
10.632577
9.769969
10.010175
8.357765
8.160541
7.115786
7.842660
10.881936
6.656851
9.424127
6.877423
8.404511
8.580889
7.946226
5.816401
5.705802
7.220130
6.236946
7.421552
6.602313
7.938536
6.597186
8.877529
8.167425
9.001556
6.200446
6.828883
7.470748
5.886349
6.755150
5.639637
6.567034
7.459517
5.075167
7.754204
7.077548
5.614124
6.891018
5.455916
5.201270
7.745415
5.779412
7.860912
7.511414
7.724067
6.476592
7.145924
7.133961
8.539888
7.105640
5.754891
9.061144
5.602664
8.186728
6.673009
7.514954
7.977859
8.265831
9.421140
5.592654
7.492859
8.557466
8.420866
8.273644
6.786050
7.463927
7.820383
5.668950
7.752998
6.524079
6.155904
8.388516
6.539918
7.214988
9.363613
7.958174
7.856731
9.067583
8.868969
5.830302
9.076617
5.864116
6.085925
9.389248
9.747536
7.844523
6.093982
6.375729
6.777963
5.962508
9.278527
8.383236
6.988907
7.332423
9.065142
9.313562
7.126850
7.914716
9.055620
6.263909
6.713019
8.320734
# Label of molecule (29)
0.517411
# Number of Instances of molecule (30)
4
10.331538
9.153970
9.539604
10.497079
12.341306
6.717379
9.590995
8.108772
8.180805
8.062140
6.819045
8.681496
7.329655
6.835803
11.704068
7.957158
7.648501
8.506291
7.756778
10.268701
8.083585
6.858229
9.709448
6.385620
7.721314
8.078554
7.275041
6.104546
7.981237
7.439180
9.944227
6.197897
7.804514
8.962142
6.389187
8.206748
9.632450
7.751167
7.270318
9.061144
6.969649
8.808817
7.767769
8.650975
9.103748
7.849559
9.956679
7.757149
10.041398
9.024155
7.125904
9.162709
6.840373
7.306940
7.341243
8.162069
6.370754
9.720710
6.123676
8.843608
8.313807
8.713355
6.935102
7.661443
7.840037
6.879559
8.944319
9.502808
8.154744
9.061144
6.550935
8.788064
9.361934
9.943373
9.393796
6.650426
8.799661
10.145772
7.514588
8.171102
7.798166
7.020432
9.627201
9.954115
8.678442
9.849132
8.816141
9.538453
7.869701
7.812449
8.665242
8.757042
7.463668
6.911039
9.608509
7.247230
6.102176
8.712241
7.096957
6.990509
8.877529
9.310404
9.126804
9.061983
9.498520
8.601398
6.768456
7.013337
9.260353
7.440107
7.361736
7.359661
7.251747
8.404370
8.951872
9.463240
8.990692
9.393170
9.844722
9.191015
# Label of molecule (30)
0.386763
# Number of Instances of molecule (31)
3
10.336363
8.998619
9.533806
10.508224
12.202453
8.364669
8.429719
7.495972
10.409970
7.936064
8.411825
7.498824
8.101889
9.926817
12.437805
10.006294
10.997929
9.450989
8.213084
7.914634
7.425794
8.145181
9.643836
8.433887
6.091018
9.706428
7.963911
8.149585
7.270384
10.918924
7.457945
7.133717
8.058184
8.110920
5.782479
5.312860
6.689245
7.604678
7.041185
9.061144
8.356899
9.056993
7.869091
7.383236
6.512604
6.408963
6.963912
5.738289
6.091327
8.925642
8.947859
8.120930
6.648595
6.507233
5.625614
7.571718
8.335047
8.119343
7.018601
5.994278
8.375454
5.980972
7.200369
5.847423
6.554231
8.540254
6.795450
8.391568
5.610233
9.061144
5.812998
6.162252
7.349178
7.775216
8.499115
6.239402
6.682287
7.051317
8.093341
5.803476
5.175771
5.414792
7.156056
6.885662
8.997055
6.996384
7.729438
7.234062
7.634098
7.284845
# Label of molecule (31)
0.522152
# Number of Instances of molecule (32)
4
10.624825
9.157703
9.672139
10.622644
12.140584
7.586455
10.822639
7.826609
8.037588
8.355576
7.042072
7.534203
9.355162
8.460469
11.093304
8.719973
9.945351
7.960216
8.510390
9.960210
10.318537
8.222231
7.037171
6.379551
7.958183
8.610419
6.848807
7.482991
8.938654
7.649090
9.277291
6.797235
9.610920
7.179571
6.487655
6.652211
8.897763
9.518876
8.548997
6.985595
7.816919
7.504654
9.301462
9.661702
7.130985
7.756981
6.590075
9.062563
9.758507
9.511429
8.158483
6.788812
6.397565
7.940214
6.972533
10.196997
7.269295
8.248451
6.849116
10.145238
11.063204
9.127964
8.271493
8.268319
8.013550
8.372570
11.469710
9.937315
11.811274
10.265328
8.937407
10.602863
10.678915
11.494980
9.982116
8.379772
9.027741
11.280618
11.344096
11.228980
9.288614
11.258889
8.258797
8.966094
10.173528
10.208197
10.636067
11.045137
10.240913
8.984283
9.892346
9.290765
8.934187
6.591708
7.171438
8.160970
8.549287
9.278314
7.995315
7.276299
7.694403
9.223380
6.687902
7.494690
6.690222
9.130726
9.445677
7.715278
10.068010
8.280114
8.105060
9.954482
7.068529
7.224540
9.342769
6.256981
8.259850
9.260125
8.178060
6.819376
# Label of molecule (32)
0.476471
# Number of Instances of molecule (33)
5
10.706573
8.774708
9.484932
10.498263
12.684806
7.819667
10.156888
8.820647
9.135037
7.762697
7.280853
8.404705
9.590730
8.789082
11.564750
8.325618
10.801526
9.898021
9.886323
7.832608
10.510344
6.296468
10.258022
5.956302
8.357458
8.869717
9.945234
9.290953
6.821285
10.239288
7.165944
7.333552
6.713660
6.795328
8.181845
7.737373
10.186422
7.478942
9.920545
9.061144
7.178152
9.888806
9.608524
9.058580
8.851421
9.447020
10.037004
9.748665
8.905133
8.958724
7.012986
8.789773
9.647832
9.685919
8.645360
8.972030
6.841716
8.725440
9.842662
9.700446
6.696554
5.646352
5.689688
6.009400
6.326304
8.640828
6.774804
6.495132
7.059359
8.184515
8.877529
9.265847
6.321909
8.451125
7.029817
9.184668
7.117222
9.156468
6.031373
6.618793
6.662862
6.370983
7.208899
9.451399
7.865535
6.448988
8.948454
8.396191
9.005341
8.949431
9.329020
8.746483
9.888852
5.984436
7.995972
7.274514
5.961486
7.499863
6.574175
7.604480
8.462539
9.278726
8.033937
6.798303
9.387371
8.844020
6.433546
8.237678
7.229713
6.844203
8.745628
7.873653
6.428297
8.001709
6.517777
8.593280
9.586962
6.366161
8.745994
6.578448
9.390088
7.589373
8.817072
8.262001
8.564135
8.703787
7.174688
9.518876
9.635578
8.245643
6.033418
6.187475
6.461653
6.634022
7.445936
9.669881
7.000366
8.885434
6.193945
7.613788
8.322184
8.300089
9.921964
7.800317
8.460128
9.266793
7.044679
9.333445
6.469588
9.058901
# Label of molecule (33)
0.423948
# Number of Instances of molecule (34)
5
10.383771
8.710388
9.447563
10.510185
12.484821
6.631743
10.047269
7.869767
10.419761
7.972625
8.453838
10.115730
8.383275
7.137074
8.678453
9.416002
8.790950
10.063613
7.935667
7.936323
9.325783
6.691048
8.895992
7.091407
6.137493
8.252376
9.648008
7.381268
8.327197
9.357481
6.468764
7.529832
7.033845
5.533677
8.351268
6.036744
7.846492
6.722312
7.031404
6.176275
8.877529
5.976806
5.049043
5.397320
6.942289
7.584521
8.596026
6.838527
7.844905
5.843989
6.077273
8.837245
8.138737
5.290017
7.791437
8.211982
6.193243
7.127598
6.601459
7.694510
6.880047
9.290765
8.074786
6.645665
9.162954
7.505554
9.670537
7.052171
9.488281
7.912061
8.642674
8.462249
9.159291
9.297845
9.341914
9.593875
9.908460
6.870159
8.727882
7.875072
9.896496
6.453887
9.068957
7.857006
7.830027
7.460021
6.944990
6.835124
7.069506
9.005844
9.161046
7.110691
9.888852
9.455245
7.334330
8.018311
8.916898
8.914701
7.167943
7.338603
6.649495
7.837275
7.197241
6.291574
6.190863
6.214667
6.664144
6.747765
6.375683
8.948759
6.953825
6.112125
9.405438
6.450148
8.149541
7.982543
7.789422
7.449324
8.578387
6.955168
11.306986
10.036195
8.057253
11.875240
8.970244
8.542985
8.651265
10.020081
8.034669
8.095828
9.198035
10.358837
10.736778
9.440840
10.774010
9.001007
11.796258
11.704825
8.807154
10.665731
9.291543
11.967528
11.651479
9.467452
9.651662
11.606800
9.464156
8.914701
10.638874
11.791864
# Label of molecule (34)
0.459564
# Number of Instances of molecule (35)
3
8.835419
7.826754
8.246066
8.469611
9.713058
7.968985
11.271795
8.836422
9.774039
7.320526
8.411656
8.546219
7.949570
7.408948
10.043311
7.263718
8.780147
6.916141
10.055095
7.437476
9.753966
8.240122
8.872978
7.326095
6.256080
11.066397
8.583498
6.352002
7.486348
8.780200
6.220679
9.115665
9.033753
7.387463
6.333598
9.180242
8.633473
9.518876
6.995239
6.453352
7.703024
8.946471
7.285165
7.612568
7.119022
9.253243
8.624805
9.429273
8.266152
6.310160
7.724387
7.217414
10.198096
10.143284
6.302835
7.587542
8.010163
6.791498
7.956694
8.378948
6.238868
6.334819
7.265511
6.544908
8.202185
9.272774
7.228523
6.230934
9.083804
8.926939
6.706412
8.930357
6.770501
7.603656
7.225349
7.610736
7.721824
6.824091
7.017945
7.242317
8.603687
6.710562
6.373272
7.102542
9.696249
8.678030
9.196112
6.072359
6.450179
8.303751
# Label of molecule (35)
0.193873
# Number of Instances of molecule (36)
3
9.746418
8.664914
7.878468
10.850250
11.671271
9.257181
9.076658
8.664324
10.524389
7.655416
7.611708
8.138527
7.106868
6.091310
8.752246
7.420058
10.823017
9.648631
8.431408
8.782080
10.061861
7.861319
8.626685
7.748637
8.669095
8.586510
9.023159
6.952684
9.431011
8.857140
6.459380
9.000473
5.680792
7.125294
6.841716
7.945753
5.815561
9.137440
7.465758
9.061144
6.923627
8.576144
7.551210
7.701727
6.647496
5.757698
6.274926
8.828715
8.562593
5.541017
8.032548
8.732154
5.355953
6.110126
9.003891
6.967086
6.997971
7.905591
7.898511
5.873547
5.987808
9.290765
8.329188
8.076617
5.910047
8.449065
9.077013
6.342921
5.591433
5.886853
6.540437
6.980392
5.536866
6.140278
5.653081
7.124317
5.829112
8.049638
7.495911
7.870678
6.328272
6.671667
8.913923
6.746010
7.174734
8.401700
6.125019
9.326289
8.472869
8.682470
# Label of molecule (36)
0.224462
# Number of Instances of molecule (37)
5
9.063000
7.287869
7.325208
10.464836
9.394062
8.629156
10.005577
8.076249
9.714718
7.443514
7.073328
8.823011
6.265597
8.309988
10.103488
6.555066
8.417450
9.008854
9.961397
9.475091
7.953147
7.140168
7.776937
8.286398
7.611613
11.639865
9.072893
9.035712
7.102743
10.435681
8.962996
6.490020
9.477783
9.122303
6.975021
8.537568
6.990036
6.235618
8.800516
9.061144
7.780099
9.134022
5.867199
9.482299
6.402615
7.868358
5.806406
6.299097
8.708960
7.884228
6.738563
7.579165
7.691839
6.399930
6.771645
7.442198
8.479827
5.964125
6.083880
8.412076
9.620731
8.160970
8.312830
8.346522
7.867260
8.613987
8.160604
8.303186
8.851421
9.061144
8.748268
6.263207
9.712775
8.120563
9.230705
9.340083
8.993027
8.202719
7.977615
9.100085
9.110706
8.439055
10.105853
7.878246
9.045274
6.603305
7.160085
9.274285
8.608615
7.900952
6.410535
7.232093
7.228431
8.603961
8.492874
6.406873
7.449019
5.801141
8.007996
7.185461
8.877529
5.858882
6.651387
7.351970
5.862789
7.671682
6.219489
8.697348
5.386822
7.145299
7.272011
6.385754
6.283578
5.450667
5.003876
6.314219
5.608631
8.456618
7.704764
8.337962
5.799326
7.861156
8.745582
8.013260
9.114856
5.933363
8.048540
6.082781
9.080554
9.061144
6.782998
8.258629
6.790567
8.162557
9.086169
7.935133
7.640080
5.878307
6.645177
7.576357
8.173666
6.374294
5.605838
8.907819
7.145680
8.139119
7.627873
9.286126
6.166646
5.646489
# Label of molecule (37)
0.147180
# Number of Instances of molecule (38)
5
9.037810
7.916074
7.110738
8.093904
11.654682
8.066556
10.377551
7.763867
10.449134
6.517462
8.295865
8.899075
8.584908
9.985375
11.690088
7.420813
9.234667
6.851150
8.196299
10.778163
8.000049
6.826390
9.430625
6.181583
7.818350
8.163313
9.451756
9.176359
8.715976
9.543131
10.141179
9.885678
11.479354
10.618366
11.972900
8.168584
9.126011
9.430342
10.288278
10.598468
9.536790
8.314829
8.181402
8.668844
11.261574
8.895047
10.397412
11.760491
8.537614
9.217078
10.012146
9.422285
9.355266
9.185339
8.103153
9.803888
9.703665
11.583361
8.288827
10.609699
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
9.078158
8.827784
9.479415
11.271706
11.966430
9.742607
9.527879
9.370403
9.170324
7.400159
9.038636
6.831416
7.620869
6.006439
7.201544
7.394665
9.518876
8.892148
6.249977
7.934355
8.278603
7.201300
7.409680
7.031251
7.126225
9.659383
6.128636
7.570452
8.984191
6.126560
5.735313
6.682363
8.282022
6.145116
9.243843
7.863796
8.351482
6.352153
9.684042
6.596957
9.290765
7.192190
9.085559
8.869732
8.160970
7.301935
9.233634
6.332179
8.169515
6.827311
8.936018
9.107166
9.299188
8.442595
8.735694
6.112568
8.172445
8.684912
8.759255
9.054918
7.397519
5.833018
7.713935
6.410916
6.061663
8.965438
6.471709
9.280999
7.748360
# Label of molecule (38)
0.187349
# Number of Instances of molecule (39)
5
8.607260
8.265068
7.920181
8.847453
10.004621
7.752935
11.457477
9.300519
8.310582
8.662315
6.133957
7.564461
9.734303
7.432281
7.965571
7.513171
7.393947
7.269693
7.716884
10.337345
9.331383
7.111022
9.653462
8.098647
8.569812
11.273812
7.105106
8.060525
7.716070
9.707293
6.165548
9.290765
7.671819
9.788583
7.343684
6.841716
6.468657
9.035386
7.684027
7.102710
6.550325
6.053606
8.463591
9.091296
8.125446
6.554353
8.935408
7.304987
7.259453
8.840678
7.048875
7.475280
9.247185
8.666478
7.318659
9.500366
8.571261
9.963515
8.216269
6.432524
7.399274
6.334788
9.888852
7.947386
9.522019
6.249214
8.178106
7.620350
6.077578
8.229011
8.290292
7.135228
8.880886
7.541124
8.782495
8.802393
6.640706
6.991913
8.455214
7.676382
9.368084
6.617023
6.912564
7.853145
6.931242
7.552599
6.708213
7.632923
6.137028
6.960173
8.078524
6.253639
7.625996
7.648701
5.901944
9.272774
8.248939
6.249611
7.934965
7.850856
5.348094
6.323466
7.123783
8.223914
8.172765
8.248573
5.726768
7.724998
8.102329
8.800226
7.409803
6.413068
6.393902
8.884335
6.489731
7.881130
6.516221
9.138981
6.701163
6.118625
7.848949
9.290765
8.271325
9.034288
8.801370
5.389767
8.615940
6.674230
8.995712
8.430509
6.955245
8.728858
9.103504
6.335963
7.574770
7.112964
9.026597
9.185171
8.276208
9.291375
7.679510
6.778848
7.313532
5.448607
6.920942
6.385769
5.913953
6.529695
8.007645
7.541810
# Label of molecule (39)
0.239940
# Number of Instances of molecule (40)
3
8.060506
8.216047
7.627738
7.860131
11.103758
6.771304
8.796914
9.307963
10.552322
8.614682
7.313888
8.710637
7.634714
9.733103
11.524267
7.670050
8.326202
9.272711
10.049347
9.200863
9.889421
7.146613
10.384267
8.720066
6.917146
10.558680
7.631883
8.224942
9.738005
7.625292
5.508911
8.154256
8.241661
6.744911
8.632176
8.293786
8.731300
9.001328
6.127949
9.061144
6.449858
7.235282
5.450316
5.844371
8.792947
8.916852
8.826395
6.822062
7.509217
8.239341
6.696936
6.272973
8.748512
7.425840
5.337764
7.472716
7.973952
8.559175
5.534791
6.549715
7.715155
7.205741
5.885266
6.462432
9.250969
6.512360
7.403867
9.463256
8.708106
9.061144
7.524842
7.248222
7.383847
6.307276
9.586306
9.211905
6.907270
6.383084
6.932783
9.577639
8.617771
6.595614
8.399258
7.391537
6.122700
6.509919
7.661565
8.039872
7.910718
8.993881
# Label of molecule (40)
0.227662
# Number of Instances of molecule (41)
4
10.192024
8.684628
8.372022
9.360822
10.247067
7.885004
11.531709
7.223203
10.250723
6.722068
6.996247
9.795459
8.299471
8.833543
10.812844
8.693755
10.213121
9.486823
7.966479
7.439668
10.374772
7.287919
10.403187
7.637260
6.813267
9.205765
9.320062
9.323027
7.898132
8.598941
7.873363
7.366512
8.382046
9.277947
8.787820
6.198630
9.407834
7.046800
8.518647
9.061144
6.129780
9.390866
7.686712
7.584536
8.072954
7.399350
7.863231
9.210685
6.301660
9.364376
6.442656
9.551149
6.789468
7.213187
6.100970
6.613437
7.310846
6.996506
6.215110
8.769631
9.554643
6.276955
9.508377
7.430677
8.003449
6.612415
8.658498
9.518876
7.728782
6.532823
7.110477
7.646504
6.449568
6.018525
8.594653
6.961303
7.222419
9.012757
8.986877
7.809839
8.501022
7.218757
8.364910
9.107364
7.782250
8.762993
9.587970
6.763421
6.213599
7.600970
8.052156
8.057161
9.570147
9.214179
7.251595
9.272774
7.481704
6.376324
6.302591
7.188726
7.400281
9.899869
8.366741
7.603290
7.355358
9.209418
7.829005
7.930326
9.628376
6.424543
7.546403
8.433271
7.494644
8.667653
8.680593
7.326426
9.492019
6.426130
8.492965
7.617695
# Label of molecule (41)
0.260307
# Number of Instances of molecule (42)
4
8.148817
6.857929
7.933812
8.529899
10.587423
9.175117
9.492866
6.620684
8.635507
6.649289
7.581808
9.310120
8.044585
7.875503
11.586875
8.011536
9.533122
9.356842
7.578463
9.439442
9.906221
5.538572
10.123811
8.064050
8.494738
8.081543
9.837279
8.996684
7.175171
9.001432
6.763421
8.239174
6.553453
9.053652
8.307291
9.272774
8.065706
7.938139
8.463790
6.021699
8.154698
6.247291
9.073672
9.396802
7.456191
6.555406
9.398022
7.270028
8.792291
6.556627
8.227210
8.594531
7.354747
9.273751
7.856838
7.045778
8.943419
7.227058
7.806299
6.563097
5.301248
8.310129
7.393109
5.305155
7.512009
6.547502
6.149785
5.291116
8.632405
5.004486
8.877529
6.595965
8.727500
5.171972
7.144932
8.654378
7.434980
6.108646
6.703757
7.594409
5.511948
7.246620
6.608905
8.635212
7.248085
5.721427
5.394269
7.442305
7.621143
6.599750
6.395535
6.705969
6.893719
5.447752
7.087451
8.472137
5.587283
7.054003
7.546571
9.061144
7.503357
7.332575
7.530946
8.638646
5.362545
8.421598
8.024125
7.043382
5.564943
8.227744
8.217978
5.280389
8.247276
7.009445
6.364895
8.538911
5.396115
5.921766
8.370449
9.106800
# Label of molecule (42)
0.113647
# Number of Instances of molecule (43)
4
10.583293
8.520118
6.939708
8.257002
9.805547
6.856678
9.157906
8.892960
10.216743
7.814020
7.295083
7.499616
6.326707
9.031970
11.453757
7.559673
9.945465
7.000161
10.422647
10.518933
11.086933
6.256549
7.814999
5.937790
7.431945
8.584597
9.803442
8.811404
9.742849
10.201857
9.054796
5.600467
5.456297
7.166555
8.539399
6.182028
7.047288
8.865215
5.352412
9.061144
7.394223
8.278405
5.290277
7.919141
7.574160
7.986648
6.532624
7.608585
7.081225
5.458739
6.511994
6.085955
6.784707
6.778726
8.305506
8.399991
5.848766
6.113300
8.925398
7.608829
6.817667
6.436918
7.366634
6.847453
9.335932
8.938459
7.915967
7.165700
6.584872
9.061144
7.451353
6.337062
7.316706
8.294763
7.285211
7.193655
7.272393
9.296381
6.720985
7.045946
6.738563
6.760414
8.198813
9.846934
6.627354
9.344966
7.403256
7.096728
9.453612
7.525452
9.556246
8.225639
8.287164
8.283990
7.120136
7.276635
9.501190
7.034196
9.916730
8.130177
8.390561
6.805307
9.747536
6.302850
8.346492
7.650060
9.508637
7.974899
7.825480
7.189108
7.434843
9.797708
7.682653
7.212912
6.866466
8.756783
6.466308
8.024461
9.914899
8.964797
# Label of molecule (43)
0.207622
# Number of Instances of molecule (44)
5
10.625180
7.900810
9.129755
9.772934
9.698528
8.682471
10.515745
8.755335
9.737755
6.753051
6.313106
7.806339
7.767340
8.787232
9.711305
6.897308
7.848467
8.847825
7.837140
9.818308
8.485751
6.072918
7.945227
6.672406
7.498746
7.930315
9.214255
9.350741
7.770116
10.546817
6.597308
7.424726
8.455275
8.136296
8.574541
6.274911
6.944121
8.050600
6.288461
6.555925
8.877529
6.682028
5.966796
5.347880
7.654958
6.018067
5.991943
5.444807
6.924467
5.470809
6.585467
7.062532
8.057924
7.018586
7.544725
5.508652
7.369304
6.246834
8.911466
8.188177
10.498733
9.374065
8.055177
11.709952
10.820887
9.789483
8.569353
9.538133
8.133549
10.201971
8.283822
11.715079
9.347209
11.301737
8.724876
8.164190
9.523850
9.066927
11.256935
9.527268
10.498123
8.659688
10.995697
9.992004
10.551469
11.282937
11.464217
11.021821
8.018311
11.373272
9.160985
8.970672
6.313364
8.126896
6.395642
5.845088
6.102786
5.668203
5.731437
6.741966
8.877529
9.383160
8.981414
5.805048
9.259377
6.725242
5.605335
7.540819
6.797754
6.658956
8.269723
6.901028
6.321543
8.175970
6.459120
9.327616
6.030763
8.710654
9.019379
8.133000
8.061220
6.148198
8.980071
7.126011
5.759880
5.672720
8.654012
8.351512
6.278207
7.453658
8.877529
8.518754
8.549394
8.932707
6.336558
6.205329
6.150761
6.487930
7.235023
7.792169
7.799249
5.704703
6.082644
5.668203
6.900906
6.607929
7.226112
7.333293
7.031648
5.229225
# Label of molecule (44)
0.247085
# Number of Instances of molecule (45)
4
8.296425
5.854062
7.019684
6.577083
8.297485
7.801397
7.475271
5.895471
9.295590
8.259753
6.582160
9.190448
5.829527
8.844074
10.802754
8.613157
10.483879
7.052020
7.359909
9.640527
11.235805
6.938453
9.873423
7.402774
6.620320
10.933819
7.378269
8.012674
9.925460
8.467819
8.723045
8.780786
10.565142
10.942961
11.307352
9.489059
9.759697
8.240364
10.243355
10.213324
9.262490
11.447737
11.099216
10.674398
10.680013
11.531968
8.027955
11.790399
8.507950
8.967315
10.413282
11.340068
11.710929
11.159764
10.476760
8.368786
10.200262
11.801630
9.220496
10.211737
6.394482
8.321909
9.888852
7.590442
9.982360
6.898648
9.711966
7.953734
7.282937
6.893643
7.941771
8.044313
8.693625
8.998077
10.089663
8.102664
10.270089
10.190497
9.349162
8.309824
6.560991
9.837214
9.863460
10.149480
7.401959
7.535997
9.890439
6.700400
8.045778
6.576861
7.890530
6.780755
7.256722
7.380505
7.860134
9.272774
8.367107
8.906064
8.112827
7.364391
7.925810
8.802667
9.718223
7.686422
8.942930
6.302835
9.978973
7.745994
6.403912
6.513047
9.452223
8.466109
8.224281
9.713706
9.931486
9.465773
7.101688
8.588794
8.763726
8.958434
# Label of molecule (45)
0.077440
# Number of Instances of molecule (46)
4
8.228543
7.749496
5.911792
6.747407
8.071834
8.345586
7.655371
7.466585
8.211441
6.263939
7.769997
7.896540
7.411283
7.395997
8.861780
7.984023
8.953106
7.641830
8.646857
8.666597
9.997575
7.272720
8.124913
6.962732
7.259324
9.309651
6.775548
8.034991
9.060945
8.232378
8.797418
8.924741
6.577624
6.992553
8.697684
9.272774
5.654866
9.098575
5.898526
8.982360
5.869350
7.200812
5.815149
6.842647
5.593585
7.127079
8.419477
6.703970
7.441542
7.982818
5.653157
5.807093
7.442640
6.508042
7.584124
8.011872
6.148167
7.770287
7.179205
6.297830
7.944655
9.290765
5.996109
6.297510
6.056658
5.932752
8.931623
9.398556
8.488739
8.308313
8.626682
7.396786
9.501465
9.486450
7.601871
9.398190
7.001877
8.390225
9.053087
7.047533
6.394436
7.814035
5.962539
8.074419
8.174764
8.339198
7.143239
7.171804
9.139271
6.522126
8.803446
7.447813
8.194662
8.521088
8.611545
5.730232
8.022416
9.391964
7.538270
9.061144
8.058184
6.113666
5.658574
6.383328
8.689673
6.413968
7.283502
6.787027
6.912763
7.321467
7.249077
7.213675
9.382199
5.898083
7.946852
7.059374
9.390378
6.306665
8.972152
6.051775
# Label of molecule (46)
0.199473
# Number of Instances of molecule (47)
5
7.915837
7.467269
8.187960
8.136108
8.088580
7.064292
8.403229
5.543555
8.773513
7.103308
5.339925
9.382755
7.944869
8.949329
9.979244
8.598268
9.137328
8.143725
10.176731
10.190482
8.125937
7.610354
9.405177
7.662651
8.090662
10.013665
9.871760
8.302065
7.857074
8.002714
8.104328
9.290765
9.661016
7.260918
8.392788
6.942671
6.583407
7.405332
6.190085
6.177999
6.422269
9.213248
6.967940
8.274865
8.180013
7.209891
9.431150
9.486206
6.183859
7.000656
8.596530
5.966079
7.192312
9.175649
7.772408
8.623997
5.838267
7.833445
7.808664
8.784646
7.795099
9.325175
7.753471
8.789514
6.793237
7.377850
9.051363
5.875362
5.945433
8.440870
8.877529
5.981811
7.378460
8.815516
6.887478
7.444624
9.244850
6.211676
9.323344
9.206397
6.490249
8.611408
7.307413
8.159856
7.519333
8.060244
8.473708
6.108402
7.133702
8.265816
6.194601
8.947737
9.650761
8.915510
5.936048
7.372616
8.286340
6.644078
8.420133
9.061144
6.114643
8.498383
6.022111
7.056200
6.788491
9.093127
7.436705
5.743538
9.307978
8.677221
8.131672
9.651738
7.503601
7.914869
7.701605
8.181478
5.853404
7.283013
6.494049
9.141713
7.691427
7.769677
8.233436
8.898862
6.381451
9.272774
7.215949
6.080416
9.096133
8.868709
7.858669
5.990936
8.053255
6.061373
9.154485
7.992828
5.582720
9.130680
7.706320
5.610065
6.268532
7.870144
6.395856
6.747063
6.989257
9.255318
6.389752
5.523026
9.231758
8.914487
# Label of molecule (47)
0.168220
# Number of Instances of molecule (48)
3
6.583296
7.469014
6.240161
9.489644
7.991838
5.561721
7.063887
7.608769
7.139238
7.697408
7.258289
7.255172
7.857055
7.487890
8.549833
7.222502
7.395096
7.763910
9.489684
9.590573
8.894450
7.204424
8.255252
7.459726
7.583524
8.311791
9.601174
7.243943
8.978280
7.579659
7.268365
9.290765
6.287744
6.734291
7.983108
8.181967
9.244499
6.293970
7.177908
6.076189
7.630192
8.206503
6.434233
6.678991
7.709662
7.353694
9.476806
8.328822
9.463500
8.332972
6.786294
7.041795
5.681890
8.871807
9.142201
8.892193
6.675207
7.517151
6.969283
7.103198
6.431425
9.290765
8.476653
6.526399
6.748451
5.837535
5.973891
6.544343
6.603427
5.762947
8.497650
7.400815
7.194632
6.144185
8.466277
6.894696
7.797311
9.453368
7.041917
8.520234
6.313990
7.789377
6.661290
9.570193
7.754219
7.445982
8.183187
8.512299
9.519288
9.190176
# Label of molecule (48)
0.043824
# Number of Instances of molecule (49)
5
9.914969
6.048578
7.088650
7.968264
10.375331
6.600928
7.543176
7.051849
6.902570
7.672995
5.699730
7.288171
5.911340
8.179447
10.718385
6.763734
9.321894
8.315326
10.335041
7.593221
11.041081
5.664006
9.886700
7.503832
8.114257
8.766548
7.518342
7.333002
7.828125
8.154399
7.228202
6.732704
6.735511
7.418882
8.723121
8.164388
6.350734
6.737098
9.505737
9.061144
8.387417
9.776131
7.428404
7.555849
9.759041
6.568148
7.761666
7.079760
9.535646
8.015336
9.801035
7.768136
6.421415
8.243858
7.810251
8.483245
9.507080
9.764168
9.675420
7.329279
6.316660
6.208747
8.662923
7.904721
9.197851
9.252907
7.261025
8.994964
8.400464
8.103580
8.877529
7.615406
9.179907
8.454054
6.624042
9.005463
7.471358
6.822901
8.249214
9.644765
9.684805
7.398114
6.303598
6.546159
9.834468
8.496780
8.579669
8.352489
7.381024
6.517838
7.525040
7.628559
7.084964
7.983795
9.129582
8.861263
10.017914
9.518876
7.142094
7.990020
8.103305
8.938536
9.564776
6.736930
9.744713
7.907620
7.841334
6.677236
7.962798
9.202948
9.839442
7.520035
7.248665
8.942076
9.167913
10.006073
9.690146
9.619343
10.206153
7.297617
5.392438
5.910398
8.220893
7.660451
9.104709
9.017182
7.762261
6.797266
9.114109
7.607349
8.877529
6.468276
7.513352
7.901059
6.355602
5.982421
8.098575
8.498733
7.083163
7.131626
6.538835
8.099307
5.585070
9.357891
7.881405
8.835780
5.838740
8.725303
6.768090
7.102695
# Label of molecule (49)
0.145572
# Number of Instances of molecule (50)
4
9.608697
7.554205
7.128939
6.834565
9.659705
6.471511
10.071137
7.424245
7.895422
7.568575
7.855737
6.140743
5.781619
8.818274
8.608916
7.049008
8.612360
7.840696
7.930494
9.218860
7.904028
6.394873
7.582978
5.819535
8.213743
10.743620
9.758112
6.409091
8.737660
7.788992
6.971847
6.248558
7.061815
9.268059
7.320246
5.515870
8.811258
8.019242
7.821360
9.061144
6.278222
5.559328
9.097034
5.725227
5.716803
8.920392
7.704169
7.908399
9.105945
8.405484
6.727943
8.484344
7.191580
7.469787
7.992386
5.990493
6.334498
9.311151
5.762581
8.464690
7.461104
7.951720
5.668081
6.001953
7.396039
6.180181
7.396893
9.092013
6.065188
6.469131
8.877529
6.890042
5.994751
5.326518
5.664418
5.311747
8.672933
6.799463
8.908170
5.493271
6.580950
8.077090
5.334941
5.858760
7.841609
8.367382
6.031861
7.900204
5.358379
7.421552
8.787561
6.546770
6.190924
8.426466
8.431959
7.697806
6.993805
6.229499
7.890316
5.979003
8.877529
8.806482
8.061464
8.659017
5.915769
5.800043
7.333903
8.025575
7.149815
7.522996
7.053865
7.677053
7.504563
7.212683
8.611408
7.085726
6.512223
5.998413
6.017212
6.810205
# Label of molecule (50)
0.072577
# Number of Instances of molecule (51)
3
8.924411
8.472604
8.215122
7.501733
9.699101
5.715241
10.076448
8.244758
6.969763
6.407362
6.460845
6.702974
7.409782
7.146325
8.436044
8.311700
8.284025
7.152955
8.501193
8.695901
8.849881
7.589769
7.237879
6.997228
9.189205
9.364165
9.854143
6.420198
8.571339
9.209262
7.051057
7.264443
7.452681
6.756371
7.618580
7.436689
6.992706
9.093478
6.317026
6.232673
8.877529
6.948637
9.217261
6.421033
8.735801
8.417066
6.870388
6.979888
6.264046
6.981109
5.973754
7.888485
7.858211
7.471969
5.309671
8.725425
5.953001
5.520737
6.333018
7.944517
6.383679
7.309000
5.212256
6.585467
7.288736
6.745262
7.370037
6.730857
5.755974
8.519242
8.877529
5.247169
7.897763
5.574938
7.622120
7.036042
6.287484
4.936979
7.508469
8.851283
8.312693
7.440229
5.276345
5.697012
7.801325
8.264229
5.029878
5.718619
6.296884
5.147923
# Label of molecule (51)
0.096854
# Number of Instances of molecule (52)
3
7.958517
7.727302
7.037456
9.723179
9.822227
5.858112
8.458141
6.687822
9.800388
5.823180
6.824979
6.685802
8.253319
8.072548
10.204512
8.586831
10.945410
9.812443
8.972675
7.347720
7.726105
5.319639
7.596034
6.934813
7.392007
11.601610
6.723557
9.163281
6.883257
8.920795
8.275338
5.997070
7.556810
5.594470
5.820429
6.872341
8.353587
7.078768
5.765618
5.297220
8.877529
8.075869
5.062471
6.207526
7.548997
6.984771
8.985199
8.954436
6.070803
6.854762
8.734825
6.497940
8.700888
6.386242
5.849971
6.310801
8.016907
6.581194
6.296030
6.368053
5.636189
6.125095
6.184790
7.442396
8.994934
6.694327
5.543291
9.518876
6.602283
7.507706
6.632435
8.973449
9.241768
6.290872
8.585131
8.008820
8.390057
5.633992
6.781365
8.645436
8.760308
8.373089
8.559008
7.410779
6.648427
5.680624
6.415632
8.676809
8.960997
7.243294
# Label of molecule (52)
0.045284
# Number of Instances of molecule (53)
3
6.975895
5.887596
7.862115
8.324878
10.215460
7.018120
9.743928
7.728208
7.988639
5.662210
5.358183
6.019711
8.617878
6.263068
8.410879
9.454197
10.541341
7.591529
10.951957
9.540158
8.354379
5.693441
7.599575
7.700991
9.055602
8.480352
8.657508
6.149076
10.096734
9.197941
8.287606
8.867458
10.736900
11.063936
8.898831
8.118778
10.524003
10.320383
10.083193
8.507706
9.062532
8.010620
9.676687
10.498611
9.943541
10.173772
11.779046
11.233009
11.411603
9.201819
10.508866
9.114170
8.428968
10.062319
8.469741
11.885861
11.388775
11.200049
11.303079
10.075747
6.648335
8.631428
8.619221
5.589465
7.201697
8.932585
6.868557
7.301675
7.462081
7.274819
8.877529
6.669210
8.586871
8.741661
7.821467
6.089969
8.945769
6.558245
7.197790
8.124088
8.064516
7.114292
6.577166
7.652516
8.278024
5.478866
7.003571
5.717765
7.470382
5.283303
# Label of molecule (53)
0.133766
# Number of Instances of molecule (54)
5
8.267041
8.076305
6.350324
8.107739
11.320343
7.521461
10.568843
5.895372
7.720615
6.298937
6.587243
7.178932
7.698929
6.059343
11.801810
7.764997
8.725214
10.459898
7.620771
11.012474
8.814530
6.161126
9.596149
6.985999
6.932059
10.631963
7.426500
6.933377
8.791045
7.716210
6.874798
9.290765
7.798532
7.856273
7.779000
8.038163
8.856426
5.784555
7.682073
6.953658
5.803354
5.708136
8.811625
8.163533
7.912061
5.568728
6.966231
7.951491
6.733924
7.237114
5.414182
5.885876
8.134358
8.541841
9.282830
7.594302
8.006546
8.383999
6.316065
5.561281
5.593493
8.045717
5.642811
7.658132
5.769768
6.172613
6.059328
5.271950
8.498978
5.368145
8.877529
5.056978
8.533769
7.124424
5.885006
6.256478
8.162908
7.259438
7.457686
7.679128
7.546922
8.730796
8.530717
6.916166
6.545183
7.098178
5.250954
7.642872
7.911557
9.009491
6.429182
6.783563
8.647267
8.802545
9.670370
9.272774
7.858791
6.732292
8.735282
5.861782
7.248054
7.749290
6.870479
6.002899
5.837123
6.741813
8.323649
7.141606
9.044252
7.301035
9.116276
7.218513
8.593310
8.124180
6.308573
8.819636
8.103916
8.504440
7.632832
7.349254
9.055040
9.290765
6.945967
7.318415
8.013260
6.796793
6.623325
5.741096
7.532899
6.315088
7.268242
5.657231
7.323298
5.851085
7.855663
7.944533
9.059313
6.571810
9.065050
8.819315
7.592349
8.994980
7.128346
9.429075
7.652532
7.826243
8.356044
7.528504
7.918897
5.820200
# Label of molecule (54)
0.063205
# Number of Instances of molecule (55)
5
6.765708
5.776915
7.004538
9.063994
9.353576
7.310832
7.840556
7.271033
9.100624
8.245925
6.636842
8.434771
7.311066
6.973025
11.893595
8.493502
10.272651
8.815775
8.935885
10.878878
7.463945
7.060425
9.187982
6.262308
6.347191
9.150773
9.494508
6.937114
6.798610
10.696653
8.026063
7.729667
6.845607
6.923612
8.217353
8.288644
6.973174
8.147404
5.888058
7.435713
8.877529
5.348979
5.931883
6.207648
8.445387
5.464827
7.239784
8.463576
6.676046
5.912107
6.264534
6.606464
5.648183
6.166509
5.232887
5.985473
8.571123
8.707358
5.381573
8.852382
7.770074
8.925993
6.857326
5.999145
8.973601
8.369457
9.290628
7.690970
8.711386
6.731590
8.877529
7.367718
6.211554
7.158727
6.525040
7.799249
6.368297
5.427473
7.390057
6.138920
6.992340
5.604602
8.031678
8.938566
5.711417
9.386944
6.652486
7.530442
6.894070
7.994201
7.812891
8.336711
7.738670
10.031098
7.370617
9.272774
6.842036
6.747429
8.398480
7.472182
6.966430
9.891202
9.053041
8.908872
8.382855
9.534867
6.324442
9.495926
8.248329
9.536454
6.975829
8.682913
6.947508
9.992401
9.129826
7.732322
8.519700
9.057070
6.879879
9.551836
8.180349
6.835093
8.757637
9.291101
7.106464
8.106616
8.442686
8.197928
7.069231
6.749519
6.256096
6.160146
9.747536
8.284478
8.177053
8.021653
6.321650
8.979812
7.206687
7.313868
8.100391
7.386258
8.898511
8.146779
6.794809
7.551546
9.971908
9.465545
8.817820
6.789071
# Label of molecule (55)
0.119260
# Number of Instances of molecule (56)
5
9.264248
5.996436
8.632854
9.274230
8.376276
6.200481
7.595827
7.251931
8.871316
5.291256
5.113105
8.936694
5.995354
9.285960
10.857217
9.547741
7.560815
10.326357
9.929206
9.914755
8.640457
8.116804
7.972114
8.274461
6.846566
10.888391
6.966214
8.473540
8.130826
9.064393
8.265587
8.456023
9.259148
8.561007
9.673345
9.226554
6.482086
7.015671
8.959700
9.061144
7.573305
9.037461
8.894879
8.385464
9.325068
8.468108
7.113941
7.421201
9.522462
8.488739
7.526551
6.090350
7.708441
7.269341
9.406491
7.004563
6.316065
7.642033
7.035325
8.915876
6.705847
7.932936
7.272393
6.936201
6.382962
6.300806
7.839793
7.791818
7.838084
9.061144
7.960036
7.476989
7.544008
9.378292
9.603030
8.305261
8.147420
6.849651
9.133778
8.784402
7.815378
6.597446
9.514771
7.954299
6.262841
8.444792
7.875927
8.747536
8.333827
9.554811
7.550218
5.441755
7.423994
8.263497
5.277078
7.506272
8.939177
6.852321
5.444685
7.531297
8.877529
7.757988
6.947661
5.764397
5.854854
7.859066
5.662709
9.022675
5.785028
8.584185
5.733390
8.971526
5.519028
6.936796
6.534440
5.489608
6.852565
8.543413
6.190924
6.494766
8.649754
5.728156
7.963088
8.717627
6.440825
9.134999
6.638829
8.794046
7.849193
9.061144
7.543519
5.649052
6.909833
7.180349
5.407956
8.820292
8.948347
9.373043
6.663488
6.250755
7.803415
7.192190
8.517914
6.001236
5.728401
7.415708
7.401791
6.986129
8.848247
9.059557
# Label of molecule (56)
0.144723
# Number of Instances of molecule (57)
5
6.553806
6.949144
7.585950
6.690668
8.037499
6.411981
9.323731
7.961079
9.372595
5.165760
6.387717
8.520839
6.001655
8.977287
11.740660
7.283031
9.456583
8.887776
9.638338
8.837341
7.855143
8.303032
8.375854
6.467053
7.710079
11.169208
8.778031
7.450605
7.729279
11.052356
6.155278
6.241707
7.247841
5.958495
5.371807
8.314524
5.249489
7.370403
8.195746
6.034181
8.877529
5.765618
6.184942
8.768395
7.268227
6.023927
6.877712
8.888760
8.174871
8.530473
5.632923
7.723930
5.054170
6.952055
7.558397
8.879849
7.177526
7.569384
6.897855
6.800684
6.052873
9.245964
6.939985
8.249107
8.830790
8.773904
8.223350
6.392483
9.245109
9.061144
7.018479
8.033403
7.312067
5.996353
7.402402
8.156819
9.164052
9.375240
6.423612
7.999100
6.078753
8.289514
7.877758
5.762093
6.594394
6.885907
6.104999
7.882397
9.084582
6.364406
8.742027
7.667409
9.492050
9.182592
6.914335
7.300699
7.498703
6.523209
8.742882
8.741295
8.877529
10.108036
9.045137
9.868038
6.739158
9.245827
8.391675
8.868252
7.021882
9.743156
7.322794
9.066744
8.953581
9.555528
8.650716
9.119114
6.537004
9.994018
7.222327
6.449843
10.195868
9.483200
9.306558
9.572069
9.142979
8.481460
11.900388
8.560198
10.506180
8.020631
8.451064
8.521256
10.248115
11.438215
11.197241
9.307169
11.221412
8.282479
10.560259
9.012970
8.572527
10.579424
10.293771
8.566790
10.231635
9.462691
10.657918
10.873501
11.862911
8.050050
# Label of molecule (57)
0.221497
# Number of Instances of molecule (58)
4
9.552504
7.662754
6.584686
9.756403
11.119510
8.070007
10.674824
5.795922
6.699606
5.155461
7.668069
8.517425
7.677926
8.506930
8.821783
8.630960
8.842206
8.772262
9.293320
10.783008
10.181565
8.258110
6.968461
8.171279
6.242291
10.751869
9.735769
8.756806
6.792776
8.040491
6.597278
6.226539
6.362529
7.006348
6.542100
9.272774
9.933195
8.987732
8.551561
8.619556
6.881832
9.409986
9.286569
9.042055
6.802362
7.220954
9.924284
8.709037
7.523698
6.810785
7.298349
7.707907
9.574908
6.876461
7.405652
6.593005
7.203864
9.748131
9.156194
9.332347
7.834529
6.622211
9.374371
7.165929
8.579669
8.377636
5.848628
8.824671
5.679312
7.692312
8.877529
6.581194
7.659841
6.750389
7.253334
9.196875
7.965514
6.985015
6.250130
7.699026
7.537278
8.291086
7.025910
6.433973
6.756249
9.260475
9.578356
9.580065
6.632099
6.817042
9.913083
8.430616
6.632710
10.089236
9.155492
6.446425
10.398572
6.733299
7.728202
7.004791
8.877529
7.216224
9.491195
7.792535
10.279794
9.956175
7.124912
9.101047
7.043245
9.961913
8.146062
7.726127
8.173406
8.072451
9.289407
6.891507
10.136235
6.658345
7.132237
8.570635
# Label of molecule (58)
0.151846
# Number of Instances of molecule (59)
5
8.021037
7.247265
8.714946
7.831163
9.382490
7.684563
7.352906
7.690299
9.261780
6.689250
7.103092
6.474875
8.756400
8.875938
10.652616
6.542981
7.454741
7.054802
7.309324
7.973933
9.194178
5.342244
9.121928
8.663923
7.723664
11.188216
7.620711
8.373478
8.685926
11.033410
6.079073
5.823939
5.489212
5.950285
8.956603
9.272774
9.215400
6.054781
6.517075
7.699240
5.514359
5.431104
5.733970
8.805475
7.649678
8.138585
7.396374
6.513169
6.623402
6.251564
5.383374
7.178716
8.792169
7.117801
7.963530
8.361492
5.941496
6.857173
7.490127
9.023133
7.697073
8.854946
8.978240
9.814447
10.019654
6.664083
7.394940
8.696249
7.682302
7.056917
8.877529
8.122379
9.442610
9.809442
7.877377
8.294137
9.728751
7.163366
7.409467
7.268349
6.602313
6.978668
6.854274
6.652120
8.744835
7.439741
9.221046
6.539689
9.840327
6.191290
5.854259
7.899854
8.826395
7.077807
6.860515
6.394436
6.428983
8.557222
6.588656
9.061144
6.674474
7.007492
5.673711
7.968459
9.046373
5.741096
7.777413
5.397092
5.915418
7.265923
8.237510
5.929579
8.530366
5.417112
6.741371
7.093554
7.467345
5.732307
6.398221
7.436094
7.972732
9.290765
6.572420
6.845988
7.323054
8.780251
8.153523
7.102588
6.251732
7.762520
5.788217
5.660894
7.365291
6.817667
7.836009
7.913404
7.152028
5.984146
9.367794
7.287408
7.319758
5.785409
8.343593
7.815256
9.156362
5.811411
7.250542
5.946425
9.289056
7.730049
# Label of molecule (59)
0.207519