# Number of Dimensions
166
# Number of Examples
92
# Number of Instances of molecule (0)
4
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10.688970
12.522619
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10.899211
10.044023
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10.373744
12.662689
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12.570709
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12.377943
10.856404
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7.780251
7.531831
9.019059
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6.641057
6.509217
5.241234
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6.934278
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6.502106
7.278253
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8.151326
8.035478
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6.028092
8.296228
5.101917
6.913129
6.830119
7.031419
6.342555
6.036149
6.827677
6.604282
8.697607
8.564058
7.052049
5.875378
8.694189
5.801523
5.755135
8.051225
8.477996
8.320887
8.389981
8.751564
6.460356
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6.394803
7.788278
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6.736244
7.658391
6.030534
5.206168
6.617588
7.537904
6.729774
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7.810816
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7.871120
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6.309915
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5.778161
9.273263
6.828120
7.794092
7.512101
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5.930143
6.880123
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7.406995
8.482955
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7.599750
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7.581439
8.357830
7.597430
8.300699
8.445112
6.096164
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7.909085
5.852870
9.327097
6.991821
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6.425153
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6.408795
5.458083
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6.416364
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7.634907
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7.537370
9.273263
# Label of molecule (0)
1.000000
# Number of Instances of molecule (1)
4
10.449398
9.027767
9.595236
10.483163
12.471871
9.139014
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6.470275
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8.614261
8.819102
8.994278
7.550874
7.771950
6.976760
5.940474
8.178457
6.801096
7.895489
7.636814
8.891736
6.274224
8.129139
6.527772
8.718879
5.513092
7.762307
7.999252
5.787515
5.829997
6.005539
7.506806
8.571780
7.761818
5.939497
8.883557
7.725562
8.171255
8.781381
8.702887
7.877178
9.089618
8.050523
5.571444
8.760140
8.177847
8.008042
7.225791
7.053789
6.678655
8.743416
6.309503
8.310907
8.737190
6.285577
5.704505
8.345943
7.961409
6.112842
8.292718
9.459014
7.103107
6.434507
8.021348
6.870800
6.728339
5.622593
9.149190
6.743965
8.756111
6.166799
6.546205
7.164632
6.738838
5.526765
5.924360
7.460784
8.761361
6.259087
8.871715
9.230369
8.829722
7.791849
5.566195
6.456603
8.629398
8.223258
8.046251
8.083728
5.524445
6.518372
6.908032
6.427915
8.674688
5.479156
8.309931
6.800729
7.143513
5.863445
6.154469
7.717017
7.875347
8.026475
6.327448
7.064409
7.412687
# Label of molecule (1)
0.809908
# Number of Instances of molecule (2)
4
10.532940
8.939337
9.574234
10.466902
12.331273
9.012225
11.348527
9.124600
10.338620
8.869641
8.556956
10.094604
9.578469
9.952950
12.621092
10.619650
11.480033
11.038651
11.599683
11.598159
11.810529
9.009235
11.015288
9.510755
9.801443
12.333966
10.557682
9.891027
10.813412
11.800438
12.304418
12.167572
12.096799
11.316974
11.692522
10.701321
9.839285
9.768226
9.031636
11.893597
9.941612
10.427053
12.686043
8.861073
9.071888
12.298533
11.542944
9.994724
11.544443
11.539624
12.510207
8.354318
9.521797
11.511024
9.342944
10.898328
8.533729
12.400524
9.511171
8.594043
10.107908
12.111925
10.879812
8.806763
10.874844
9.387909
10.486886
9.144715
10.506119
9.913886
12.269902
10.234036
9.707991
9.937671
8.530879
8.966260
10.655553
11.447019
8.668259
10.094591
11.697635
9.366710
9.792089
9.283634
9.445148
9.494210
12.233128
8.500016
11.242921
9.888680
11.378068
11.548479
12.320101
9.398038
11.862895
12.385996
11.706405
10.202062
11.086565
11.804822
8.860433
9.387974
8.698256
12.097960
11.380009
8.895014
9.097652
9.462891
11.503650
9.037744
10.481884
11.131223
9.135029
12.657387
9.516222
9.818634
11.679286
12.256537
12.386164
12.852610
10.142918
10.148895
8.967078
10.428900
9.025752
12.589423
11.256913
11.110534
9.214245
10.440398
11.971857
8.562520
10.607424
8.805988
9.453658
12.051583
10.668122
12.357703
10.434323
11.767251
11.340442
9.864845
10.048182
10.532600
8.657015
10.951412
9.813022
8.798283
11.445074
11.092767
8.336497
8.665151
7.393300
9.775254
8.162329
10.071556
8.935369
9.505195
11.548130
6.979750
7.773238
5.866717
10.047113
6.889728
9.143893
7.563706
6.543657
7.639882
7.916501
7.783807
6.983001
8.117435
5.844783
7.064913
7.161229
8.317759
4.902860
6.829554
4.972808
8.280282
6.453078
5.424848
4.856594
8.025147
5.566820
4.766625
6.138859
7.218238
7.817621
4.968902
4.994171
5.110630
7.877560
7.685904
5.898007
7.126072
4.794214
5.538377
8.445936
6.471389
6.823084
5.003327
5.416425
7.145848
8.687521
8.136479
5.949889
8.724265
6.145329
8.508194
7.719596
7.287820
6.734703
6.724326
7.970702
4.878567
5.573656
4.908353
5.300821
5.852840
5.090854
5.518845
6.058168
8.507462
7.559923
5.878719
7.231422
6.354442
7.313211
5.789361
5.707205
7.419904
7.511948
7.607044
5.769463
5.940245
8.344371
6.153874
6.716514
6.832728
7.529038
7.841060
6.469558
5.313883
7.998291
8.376720
7.048921
6.042055
5.635670
8.435682
5.792047
8.157353
7.943724
8.664937
6.189520
8.595843
8.515885
7.399396
8.212287
6.052065
8.188482
6.465041
8.006348
5.965026
7.747551
8.441542
6.830164
4.901761
7.064547
6.760949
7.108737
6.716147
7.537461
8.018921
7.479720
4.853664
8.711692
7.869381
6.707358
7.182470
7.954955
7.882809
8.338023
5.720267
6.062319
6.737632
7.973266
7.636464
7.666250
5.125645
7.034761
5.901547
7.325663
5.740287
6.896939
5.961241
6.169622
7.728507
7.261574
6.807093
5.971984
4.976104
6.648885
4.822779
5.528977
7.606922
4.881741
6.777306
6.217597
8.064699
5.437300
8.341807
7.608509
7.158788
5.539354
8.505753
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7.869137
8.265145
6.807215
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6.292795
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8.752342
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6.563677
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6.635701
7.426740
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6.844447
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5.476485
8.357067
4.970855
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7.559801
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7.658559
8.967071
7.809320
5.915952
5.892270
5.680837
8.210700
6.660237
5.419355
6.911222
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7.149388
6.827113
7.019257
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5.743339
6.987030
7.032929
6.282785
5.352580
5.742607
5.780084
6.390210
8.287606
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6.317698
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8.250008
6.320872
5.300333
6.185125
6.678915
5.883847
5.413251
7.666860
5.758232
7.251564
5.162023
7.868404
7.462874
5.977599
8.459609
7.802484
5.428877
8.664937
5.281045
6.878262
5.347209
8.166265
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6.723472
6.787194
6.620808
8.569720
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6.728599
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6.279855
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8.233406
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7.842769
5.063265
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8.260506
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6.797449
7.228736
8.128056
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8.894803
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6.224677
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6.533280
7.710807
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6.163152
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8.208869
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4.974639
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5.177770
5.911313
6.863369
6.196600
6.616291
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7.904050
5.294595
6.310373
4.937162
8.541765
6.581500
6.915006
7.578845
6.373852
5.647755
7.350932
4.863430
6.508011
8.584857
6.032411
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6.253609
6.757653
5.368816
7.216041
5.526658
6.070498
7.915281
7.315043
8.339488
8.599261
8.544450
5.852351
6.750572
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5.019684
7.693716
8.652120
5.826838
7.340190
8.695822
8.767113
4.865383
8.233406
8.764916
8.233039
7.633656
7.173559
6.969695
6.145940
5.650319
6.296457
5.583789
8.441664
5.110508
6.588580
7.932615
5.485641
7.588122
6.724448
4.920316
7.752068
6.105655
4.927274
7.111789
6.960417
8.446669
6.229194
5.242958
8.050295
5.584155
7.502426
8.037965
7.366558
5.102695
6.641560
8.203375
6.430372
7.486923
8.268075
5.479537
8.670553
5.151524
8.332896
5.620411
8.492203
6.090396
5.992981
8.177618
8.054689
6.015687
5.136631
5.965148
7.137303
6.865932
5.931333
5.079012
5.464400
5.554979
8.771020
8.344981
6.867031
6.839076
6.995331
7.072237
8.655660
8.175542
6.759728
7.987182
5.578417
6.448805
6.426466
8.220466
7.740837
6.439039
5.855281
5.224769
5.861141
4.907132
5.967833
6.497024
7.236427
6.172674
4.959502
5.979919
7.795038
7.058565
7.535875
8.018921
7.609485
7.077975
5.546312
5.748222
7.246193
5.738945
6.392285
6.781945
8.324717
6.840297
7.583117
5.083895
7.664418
7.635487
5.815607
7.894284
8.391125
8.738426
6.952727
# Label of molecule (2)
0.825143
# Number of Instances of molecule (3)
5
10.638064
9.059038
9.491281
10.453291
12.470592
8.965835
11.215936
9.107355
10.488450
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8.665996
10.016128
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10.004015
12.420287
10.492587
11.642843
11.248579
11.751226
11.784774
11.909758
8.880960
10.908240
9.545397
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12.362144
10.525170
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10.985351
11.720213
12.498621
12.136247
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11.468324
10.855920
9.879845
9.772207
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12.725881
8.729430
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12.299848
11.392173
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11.448215
12.505719
8.470990
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10.873975
8.437740
12.610324
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10.098568
12.387274
10.914654
8.646365
10.764498
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10.413239
9.254358
10.370622
10.081993
12.083728
10.184261
9.937962
9.961888
8.357749
9.075285
10.625155
11.358939
8.605948
10.086445
11.615736
9.466307
9.886806
9.316007
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12.056896
8.339483
11.134824
9.866090
11.070205
11.375124
12.264702
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12.039997
12.379502
11.549656
10.210677
11.102933
11.710455
9.031993
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11.914556
11.192538
9.320704
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9.517421
11.511546
9.288361
10.591945
11.429469
8.959413
12.587207
9.316602
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11.842894
12.033966
12.415369
12.551236
9.741171
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10.004645
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12.346939
11.261367
10.972672
9.074144
10.089537
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8.272599
10.311096
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12.683689
11.023472
12.373302
10.067415
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11.157715
9.889080
10.154545
10.759862
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11.728815
8.631022
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6.803314
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5.725105
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6.457183
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9.016831
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6.672765
5.205435
6.304468
8.343471
7.826975
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5.203116
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8.000320
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6.796670
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5.663213
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8.404508
5.391598
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6.680212
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6.819498
9.016831
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5.697317
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6.178045
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7.661855
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4.792871
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8.472060
5.601733
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5.962828
4.916532
6.207831
7.215064
7.299539
5.398724
6.930876
8.664937
5.998962
5.935728
6.514359
7.701529
8.135990
4.947661
5.409955
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5.313272
6.779138
8.661763
7.586169
6.843837
6.695761
6.677206
5.370281
8.454237
4.933988
6.959685
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7.888302
8.681051
6.175726
7.794549
7.783685
6.859706
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8.592914
5.651418
4.788232
5.149815
6.222358
7.875362
5.014801
5.580370
5.757378
5.448897
8.345958
7.058687
5.628712
5.881771
5.953551
8.657735
6.621052
6.309030
4.874905
5.345256
5.861141
6.410230
7.479843
8.274422
5.735405
8.665426
6.556475
7.346782
6.611530
5.320597
7.889279
6.425977
6.241157
5.441206
6.203436
7.573107
6.715781
5.423994
6.352123
6.680380
7.853145
8.346934
7.620716
4.879666
7.888180
7.528794
7.022675
6.098575
6.343822
5.741096
6.557772
7.589419
7.250053
9.259270
9.130360
6.203269
9.201651
6.014786
6.194967
8.346522
6.280663
8.772683
7.350887
7.577212
5.565920
8.225059
7.157765
6.484161
7.478454
9.314203
5.460570
8.224448
6.524079
6.326807
6.017716
7.269829
6.026872
7.138356
8.308557
8.741310
8.730323
6.979781
5.396847
7.702826
7.140187
6.102802
6.723426
5.791879
7.486023
7.719794
6.702185
8.561129
7.172658
6.590121
5.998306
8.905133
7.600650
8.631565
6.359157
7.948683
6.228172
7.929395
5.875256
6.771279
5.750008
5.519288
7.547060
8.341762
8.269494
8.318567
8.029496
7.039476
8.336268
8.580050
7.432920
9.136219
8.727760
6.246117
7.053148
5.614017
8.846660
6.574374
7.905835
8.694189
5.611332
7.412900
8.940779
5.451537
8.713355
8.498749
5.811411
7.890942
6.116108
9.154164
9.073107
8.857891
5.672735
6.757363
6.686316
7.161794
8.734230
6.360988
5.700934
7.284356
5.625126
5.834117
5.992569
9.049059
8.863140
6.902753
8.931013
8.625950
5.993179
8.464202
5.851695
6.248680
7.916089
8.548799
9.208487
6.016617
6.582430
7.306330
7.279229
7.157765
5.930433
5.389889
9.302728
8.127766
7.939772
6.114154
5.919080
6.920331
5.677618
7.760933
7.791086
6.963424
9.213126
6.408841
7.278375
7.975295
8.272179
7.661809
6.043474
7.158498
5.510987
7.650090
5.460814
6.102680
8.281335
5.680303
6.706580
8.775124
8.762062
8.908795
5.402219
5.970840
8.334315
7.413144
7.688421
7.599429
8.073321
8.038163
8.603854
6.182882
9.231925
5.388302
7.642521
8.938704
5.591311
6.346217
6.367336
5.824229
7.555361
6.486969
6.952193
6.513520
8.275048
8.254906
8.522004
8.610874
7.961440
9.022507
8.426298
5.281182
7.440916
7.672613
7.611454
8.120869
7.975112
7.412473
7.216910
9.098071
6.719459
6.635716
5.149342
6.234336
5.218680
5.193411
6.871807
5.809153
6.957381
5.625919
6.933943
7.463134
6.839457
6.730811
7.120472
8.573885
5.473449
8.841472
7.091052
6.281457
7.136464
8.192038
5.387387
5.536683
6.293176
7.743171
6.683447
7.547975
5.544984
5.843577
5.151296
7.000717
5.882885
6.102496
7.820566
8.427274
8.120991
5.848338
7.804209
6.097980
6.383999
6.547823
7.267205
5.812204
8.525178
7.561892
8.011368
8.962325
8.347926
6.611057
5.553407
5.245415
8.507965
8.329249
8.570101
6.400601
6.969832
8.275048
7.584231
7.341426
5.893017
5.782296
6.769753
7.065172
7.823496
9.019822
6.747902
7.708136
6.062822
5.636540
8.250511
8.125507
6.095294
6.370083
8.526276
6.369228
8.941694
6.987777
8.363063
7.439817
5.319025
7.942030
5.603702
6.685644
7.480956
9.108936
9.028001
5.227103
7.610111
6.989731
8.476836
7.777841
5.643254
7.747078
7.094714
7.239616
7.399411
7.452513
7.563234
6.446989
7.887097
8.920454
6.201865
5.433531
8.668371
6.501556
6.811747
8.597934
8.150410
8.214743
8.135762
8.141987
5.683050
6.586886
8.811075
6.159505
6.335780
7.581057
7.689581
7.746101
7.228874
8.984176
7.399289
7.508423
8.294824
5.631413
7.023789
5.847362
8.344142
8.841594
7.773568
5.388974
5.311457
5.436949
5.524598
7.939467
5.555239
7.726814
6.099322
6.337001
9.088061
7.823740
5.164113
7.579714
7.610843
7.673833
8.619785
5.599796
6.227866
# Label of molecule (3)
0.826422
# Number of Instances of molecule (4)
3
10.625372
9.049251
9.671863
10.570605
12.331641
9.033403
11.495161
9.356507
10.418502
8.734064
8.502085
9.925038
9.336150
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12.512369
10.703617
11.459771
11.174904
11.707199
11.632506
12.012715
8.870112
11.003966
9.670754
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12.243513
10.601389
10.154944
10.919026
11.580722
12.217425
11.952858
12.009215
11.144803
11.615935
10.797549
9.998192
9.778816
9.162799
12.033418
10.194889
10.291652
12.509586
8.830622
9.105720
12.399528
11.333084
10.130738
11.576359
11.731308
12.484558
8.338324
9.716211
11.565004
9.275773
10.892146
8.567533
12.516475
9.649022
8.448066
10.119064
12.183864
10.837239
8.682036
10.752575
9.276639
10.455929
9.182640
10.300486
10.096428
12.238201
9.975798
9.923074
9.882159
8.514982
8.997902
10.522612
11.216072
8.716781
9.990944
11.777015
9.230751
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9.296472
9.587053
9.570906
12.237954
8.276269
11.244505
9.977063
11.140211
11.517876
12.413993
9.246843
11.822062
12.574944
11.744059
10.251309
11.167620
11.784346
8.989272
9.537228
8.897019
11.967122
11.559111
9.180223
8.778287
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11.886699
9.242347
10.702961
11.636845
8.956637
12.870535
9.113000
9.913540
11.801327
12.214182
11.956052
12.342847
9.653525
9.793229
8.864505
9.953380
9.134160
12.683535
11.288958
10.959288
9.025864
10.254843
11.690293
8.616725
10.036806
8.694787
9.242944
12.389892
11.163297
12.249038
10.204566
11.659212
11.696825
9.808016
10.601560
10.415152
8.680944
11.004642
9.601588
8.947664
11.526420
11.485559
9.931943
11.500333
8.785460
12.732865
9.894982
9.256067
9.653970
10.662969
11.106787
6.927301
7.852145
6.195129
9.904551
7.620728
8.195829
8.321841
6.267968
5.357784
9.150380
8.473601
8.095904
9.155751
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6.915937
7.228446
7.396664
5.940931
8.908918
5.903211
5.479247
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5.692633
8.023148
6.080218
5.424558
9.200308
6.495636
5.394406
7.980056
8.979232
9.126820
7.835032
5.832286
7.514832
5.944960
8.570406
8.764870
6.324244
6.829630
7.271905
8.816385
9.200919
8.319056
6.446928
5.882458
6.981124
6.472808
5.733894
9.059435
6.209861
6.665197
5.531983
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6.079608
7.181570
7.343074
7.384823
6.017960
7.495544
8.198325
6.705969
8.298181
6.100360
8.546968
7.365169
6.048235
6.770669
6.979904
6.834391
9.034776
6.127338
9.165517
7.431822
5.592288
5.384396
8.369594
8.359584
9.079943
7.148244
8.938337
8.484710
7.232475
8.148152
6.115375
5.737434
6.788125
8.770852
5.571169
9.001205
7.763131
6.274682
8.017777
8.369350
7.749702
8.559420
6.283471
7.645573
6.613315
7.363704
8.226035
8.960189
7.962600
7.769601
8.853984
5.378658
7.768014
8.885113
9.035752
7.378719
6.504181
8.581881
8.168783
7.067309
7.190237
7.163503
8.185263
6.016861
7.703803
6.836711
8.267907
6.592807
5.743049
5.863536
7.652532
8.648534
8.813578
8.268395
7.891552
7.461730
7.611148
7.973220
7.952345
6.789468
9.181143
8.239586
7.528016
6.913862
8.222983
7.288507
7.932936
5.556398
8.921125
6.975997
5.959731
7.532777
7.672308
7.398007
6.072649
9.026719
9.087390
8.300256
6.310572
8.354457
5.640507
8.167318
7.277520
9.097522
5.343989
5.866710
7.592593
7.476745
5.818247
7.723090
7.177419
5.844737
7.138478
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5.752815
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5.827280
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5.923109
7.192953
8.005722
8.267327
8.427854
7.198447
7.269127
9.012467
7.359951
8.742805
5.738075
6.140553
7.298669
5.751625
8.228019
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7.356166
6.654973
6.768990
8.014145
8.171621
8.397946
8.080187
5.309107
8.443602
7.756935
7.254479
8.936903
5.611728
8.835582
9.029557
7.012284
9.061174
7.614231
8.019883
8.175527
8.224967
8.430662
5.284814
6.738105
7.961531
5.264306
8.607303
8.324702
5.578890
6.700995
5.857707
5.879437
5.883465
5.451445
6.821360
5.916059
8.626347
7.300745
6.858348
6.883984
8.723640
8.360714
7.777322
5.527619
7.625340
7.504242
5.293115
5.112568
8.207633
6.852245
6.447081
5.393216
7.562716
7.191366
6.361385
8.199087
8.063219
7.196249
7.706519
6.511658
9.074725
5.331080
8.252190
6.909742
7.691137
5.306543
7.881939
5.256127
6.869457
7.966048
8.441038
5.502350
7.337245
6.475890
5.797281
5.484161
5.648717
7.696997
7.487030
7.586154
6.764718
8.609378
7.321375
6.146290
5.530183
6.667302
6.329768
5.480377
5.425810
8.959365
7.413663
8.395749
8.968398
7.047197
9.086077
9.074480
8.133290
6.359920
5.672155
6.197439
5.177145
9.017960
7.346522
6.186575
8.232780
6.960891
7.379971
8.438231
8.052110
8.256462
5.973312
6.424131
8.274529
5.462432
6.051927
8.535401
7.591159
8.919935
6.395932
8.541993
6.185110
5.849528
7.481780
5.546175
6.817576
8.129505
7.409024
7.302332
6.939650
5.626011
7.289026
8.778085
8.201163
7.955306
7.468596
7.834330
7.733375
7.549165
5.965621
5.896405
5.580477
6.900464
8.489380
7.492889
8.653691
6.863964
5.422880
6.535707
5.584506
6.885693
5.141011
# Label of molecule (4)
0.860534
# Number of Instances of molecule (5)
3
10.518782
9.141947
9.648381
10.554790
12.380510
9.053518
11.252707
9.107275
10.421411
8.668408
8.624771
10.113960
9.544687
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12.637624
10.628904
11.687567
11.251934
11.610630
11.594546
11.788500
8.956088
10.917411
9.631442
9.739603
12.391797
10.648896
9.918679
10.971065
11.872938
12.250836
12.132112
11.941587
11.206752
11.645345
10.750690
9.925758
9.669007
9.032875
11.884894
10.068827
10.347399
12.588235
8.750091
9.277046
12.487139
11.617401
9.955706
11.546301
11.707341
12.312320
8.329059
9.627400
11.750954
9.284146
10.977705
8.505383
12.328396
9.542204
8.439932
10.136667
12.194123
10.713424
8.891467
10.848655
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10.418712
9.406754
10.402940
9.986110
11.980733
10.062903
9.706598
9.797572
8.394059
9.018459
10.583534
11.274312
8.700014
9.916001
11.518135
9.370596
9.691642
9.221160
9.625993
9.606822
12.100703
8.481850
11.223064
9.929595
11.390438
11.441641
12.316034
9.252207
11.953376
12.682908
11.559910
10.248727
11.142976
11.711334
8.831342
9.337306
8.953968
12.005278
11.474688
9.107160
8.827058
9.689198
11.873674
9.173226
10.709058
11.310367
9.248884
12.666205
9.212254
10.285142
11.696178
11.879060
12.272426
12.768914
9.937036
10.304669
8.522724
10.193049
9.311403
12.664222
11.264879
11.067610
9.011012
9.988418
11.835905
8.547806
10.100074
9.149114
9.556769
12.214399
11.177909
12.592847
10.298872
11.455575
11.516813
9.862765
10.503493
10.700169
6.500636
8.231725
9.065076
6.557960
9.058006
10.228320
7.534207
10.780483
8.595452
11.047442
9.346596
10.705107
10.675053
10.386390
8.768157
7.496097
7.563223
8.889848
10.330550
7.218548
6.981941
8.543220
8.168035
9.226295
5.266457
7.529099
9.194555
8.616047
8.954070
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8.614216
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5.509995
9.142308
6.906644
5.665273
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6.514054
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7.509934
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6.364513
8.915250
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6.218146
6.792871
8.266182
5.411603
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8.587237
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7.585742
6.777367
5.848018
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7.138096
6.351573
7.636158
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8.069155
6.052858
6.705100
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8.102969
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5.913572
5.731559
5.515488
7.017853
7.190710
9.082614
7.226844
6.734275
5.963378
5.279031
7.571337
6.834376
8.513993
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5.754387
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6.081668
7.486618
7.913999
8.243110
8.124821
5.373760
6.299326
8.219672
8.885342
5.518052
7.443525
7.629566
6.135624
8.072451
7.200842
8.936857
8.978607
7.456832
8.528642
7.669607
5.576769
7.177038
7.883969
8.046571
7.688284
6.352428
6.115238
8.251778
6.879910
7.331584
5.718375
7.732841
7.297403
7.767632
6.336802
6.898343
5.863155
6.529435
8.378124
7.587329
8.780236
6.825220
8.622761
8.688437
7.215247
5.909787
5.700430
5.281472
9.036225
6.755150
7.308267
5.678579
5.479720
9.054903
9.046113
6.737938
5.624134
6.940947
8.744102
5.825800
5.539903
6.786157
6.157598
5.802850
8.997406
8.466872
7.904843
7.408368
6.602313
7.462203
7.519700
5.417585
6.237312
9.164647
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6.948393
5.681997
8.775231
8.217841
8.290597
8.288522
8.160710
6.580340
8.633747
8.586261
7.047029
5.297952
9.069185
8.692099
7.922544
5.651845
7.239296
8.399243
8.027772
6.625996
8.011536
5.821284
5.805902
7.281045
8.549516
7.466475
7.190588
7.246864
7.016434
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6.793405
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5.920576
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6.859813
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9.014298
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6.464293
6.152638
6.520692
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5.198386
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6.918165
7.387661
8.368892
6.022629
8.871593
6.548280
8.061510
6.491638
8.663091
8.842174
6.938063
6.327815
9.060564
6.759590
5.475494
8.219962
8.793344
7.527070
5.444975
7.488861
6.700751
7.483367
6.197195
7.366665
6.372127
8.104480
8.626347
7.360927
7.154134
6.051927
7.689306
8.080676
5.400052
7.620090
8.354610
5.897870
7.836894
7.955672
5.855510
8.820688
8.923841
5.426420
9.123432
6.950270
6.078539
7.514008
8.275140
8.902356
8.645756
6.603580
9.031022
5.560823
6.481872
6.048265
6.936598
8.545412
6.033616
6.881664
8.265130
8.762581
7.781961
7.553316
6.472961
6.419736
8.929579
7.062822
9.087298
5.874432
5.205100
7.868511
7.895367
6.693548
7.659520
8.942396
7.316980
8.299799
8.329340
5.350734
7.827860
7.578707
6.642888
8.731574
7.316248
6.821604
6.442808
9.046159
5.241478
7.378872
7.501556
7.978866
8.474242
6.400327
5.403470
8.361080
7.689306
8.035752
7.669530
5.992111
7.190634
6.470885
7.998642
8.235099
9.039567
8.176016
6.502014
5.760048
6.361629
6.738594
5.803995
5.811930
6.711249
5.658238
6.885205
5.374905
8.362667
6.476989
6.543275
8.612430
6.408017
5.620151
8.345332
6.953566
7.533906
5.324366
8.947768
6.204886
6.352596
6.024949
7.658177
7.059404
6.164113
5.580599
9.114887
7.378628
9.021134
8.708258
6.958205
8.624882
5.975143
8.004013
6.368709
# Label of molecule (5)
0.825315
# Number of Instances of molecule (6)
4
10.658129
9.078132
9.612675
10.451175
12.300544
9.139964
11.226024
9.155865
10.521019
8.896530
8.655298
9.905365
9.613233
9.868840
12.660611
10.474710
11.656496
11.089631
11.529633
11.749471
11.865321
8.857369
10.902544
9.639426
9.834178
12.163841
10.414930
10.013564
10.875992
11.757279
12.182772
12.141115
12.183162
11.159841
11.746883
10.693441
9.871681
9.762732
9.149940
11.806469
10.185891
10.177171
12.700010
8.878471
9.204028
12.599616
11.393313
9.958038
11.711823
11.682972
12.476842
8.463330
9.644309
11.418700
9.198768
10.978365
8.509245
12.450334
9.580730
8.392497
10.317194
12.213317
10.846560
8.639281
10.677048
9.249020
10.384394
9.193842
10.332632
10.150502
11.926288
9.993456
9.692402
9.994650
8.396483
8.828734
10.443928
11.179185
8.734713
9.964910
11.791536
9.468036
9.815346
9.378410
9.535928
9.652449
12.050415
8.512102
11.117555
9.897642
11.118521
11.514401
12.543491
9.370162
12.072807
12.591866
11.617346
10.278981
11.317055
11.979765
8.804377
9.390088
8.767835
12.175818
11.446104
9.110596
8.909887
9.558402
11.842913
9.176789
10.793458
11.521427
9.022829
12.463797
9.481432
9.993715
11.319228
11.964039
12.234963
12.307510
10.015189
10.193580
8.488573
10.053802
9.348025
12.443678
11.177471
10.615315
9.064242
10.413866
11.805675
8.274798
10.325151
9.041983
9.486465
12.647065
11.193811
12.264352
10.381831
11.538420
11.459634
10.092363
10.160299
10.354703
8.389071
10.759873
9.935241
9.088152
11.455808
11.137881
10.126249
11.532141
8.861993
12.114020
8.764168
11.316570
10.351732
11.273081
9.169302
8.921328
8.870983
7.219537
9.603799
7.090316
7.557221
6.429895
8.442396
6.713218
7.709830
5.924131
6.853969
7.134983
7.803461
8.474258
8.203009
6.095279
8.477187
8.318125
7.106540
5.917417
7.829096
5.872372
8.223029
5.782769
6.057802
5.503220
7.415143
6.810022
8.387585
6.633381
5.655934
6.033631
5.923154
5.184851
5.552171
7.655385
7.309671
8.732933
6.358470
5.943419
8.071780
6.745323
7.360332
8.156865
6.507401
7.284158
7.498520
7.866573
9.012726
5.541063
7.110935
9.050935
5.708792
7.585925
7.666005
7.338969
7.251320
6.699545
7.364238
8.778344
7.692251
7.668813
8.481338
8.499649
8.272835
8.416272
6.328440
5.656301
7.020600
6.341990
7.705069
9.011994
9.026399
6.751061
8.718894
5.550584
6.275826
8.740867
7.847530
6.486770
5.910337
5.925840
8.117801
7.047212
7.793451
5.372723
8.277352
6.403027
6.256050
6.120914
8.833277
8.123905
8.896756
8.664937
8.832179
7.530625
7.312113
8.771752
7.259011
6.322459
8.631123
7.010468
8.926664
8.851588
6.729209
7.366192
8.733543
8.421033
5.998230
8.316172
6.162786
5.982116
8.544206
7.741203
7.899533
5.604663
5.691214
9.048494
6.438917
9.095126
8.664571
5.879574
8.563128
6.138737
7.328227
8.780908
5.559008
6.340770
7.852657
7.207495
7.053682
5.539598
6.186956
6.240913
6.342357
8.769799
8.210456
7.390362
7.082736
6.247261
5.439253
8.856594
7.232643
8.754295
9.163244
6.630329
6.103458
6.796594
7.885617
7.803217
6.407422
7.910154
6.944670
5.463057
9.170324
8.490005
7.188818
6.551103
5.387494
6.518876
5.580981
6.054628
6.297678
7.568468
6.609210
6.911466
8.146611
6.449171
7.375225
6.998505
5.320475
8.884060
7.164144
7.023392
6.335383
7.055986
7.696509
8.515381
7.178915
5.646641
7.758889
5.162496
7.883404
5.177389
6.589785
4.663579
4.999649
7.328700
6.362484
7.472869
6.502869
8.463378
6.894971
8.488769
5.137837
6.718940
5.852824
5.391629
8.448119
7.184530
6.319391
6.004685
6.355159
8.538697
7.607273
5.052751
7.171834
8.523804
5.187521
6.695746
6.916578
7.631199
7.611911
7.209067
6.810129
8.372188
8.300043
6.188406
7.825053
5.509552
8.071154
4.653325
5.166280
8.626347
6.292169
6.423032
7.555757
8.403317
8.517212
5.141377
8.196036
7.984970
8.495117
5.325709
8.290277
6.804636
8.419187
7.813089
7.990463
6.246025
7.293542
7.980453
5.650914
8.516114
5.292383
5.114032
8.261834
6.103320
5.985885
7.300623
5.935957
5.197287
8.308344
6.218558
5.327296
8.443846
6.143605
6.201346
6.852611
8.411496
7.403165
5.950362
8.593387
5.143696
6.470397
5.270653
5.752480
7.172445
5.887860
7.205283
8.540284
5.366359
5.161519
7.942488
7.365566
6.991897
8.557375
4.872448
8.206290
7.358486
5.763833
7.167074
7.034623
6.425840
5.299341
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6.172048
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6.533998
5.584140
5.449370
7.121296
6.204886
7.001053
7.045488
8.335810
5.298853
5.194113
6.881664
5.363918
8.176626
5.506012
7.445402
8.403684
7.814432
6.530091
4.918592
5.124042
5.038347
6.854808
5.486114
6.499817
7.625095
5.329859
7.698096
8.604373
5.145039
5.232810
5.762246
7.741554
5.423368
6.707465
6.642155
8.285882
8.492065
5.850993
7.832743
8.610721
7.909406
4.825449
4.692389
8.475707
7.323328
7.366665
6.204764
7.251061
6.149220
8.066759
6.661122
6.224464
6.238136
7.683370
5.854457
6.124607
5.797205
6.935911
6.239845
8.403607
5.453200
7.427625
7.065676
8.500656
7.020386
7.451796
6.127293
6.851680
6.528916
6.812250
7.524308
8.688040
5.493240
7.398083
7.659810
8.232215
5.611286
7.596088
5.357372
5.669027
7.767968
5.912931
7.970122
7.264290
6.217383
7.183966
7.355846
9.006043
6.822016
6.742058
5.596515
6.145482
8.218909
5.923551
8.333048
9.011902
6.792596
6.284524
5.592730
7.473281
8.326945
7.902493
5.984832
8.423627
7.211066
7.140263
8.136876
8.666555
8.076449
7.244636
7.249031
7.573138
6.737053
5.156682
8.640797
5.888150
5.310373
7.907743
6.164037
7.059572
6.392926
5.975799
5.359569
7.466445
5.164373
8.979553
5.229194
7.920804
8.298379
7.080691
6.501450
8.817072
6.550768
7.475234
8.263588
5.305612
5.904508
5.342723
8.836116
8.864925
8.142979
6.634144
8.765069
7.645772
5.728355
6.068453
7.804834
7.966216
5.860073
5.716758
5.770348
5.327342
8.587451
5.546220
7.129643
7.329966
5.851527
7.301157
7.214362
8.862972
6.333598
7.093265
7.922758
5.940519
8.980773
6.080050
8.789117
8.563524
6.087985
6.602283
5.295724
6.978393
6.809809
7.158208
8.303018
7.710227
5.975188
7.588885
8.469405
5.743370
5.084170
5.848598
7.541032
5.226386
6.357524
5.737632
8.382244
7.075198
6.716788
8.969665
5.623249
7.849269
8.569262
6.950194
8.800958
8.276528
6.272073
5.641926
7.865017
7.801782
5.151433
6.890500
8.928892
7.533708
7.951201
7.585345
6.135350
5.964812
5.586016
8.033113
5.515946
5.839930
7.075442
6.915525
6.717154
8.548753
# Label of molecule (6)
0.858972
# Number of Instances of molecule (7)
3
10.563564
9.019018
9.578205
10.714713
12.586957
8.967142
11.377986
9.178622
10.383284
8.731635
8.725416
9.917608
9.324898
9.997789
12.720711
10.610522
11.762233
11.159089
11.546085
11.573759
11.711794
8.880406
11.165922
9.734557
9.911766
12.316009
10.392549
9.911392
11.052497
11.562569
12.450751
12.123513
12.036435
11.383727
11.720208
10.863928
10.052994
9.690233
9.234332
11.806837
10.146945
10.339047
12.642882
8.717931
9.222311
12.583046
11.646596
10.074173
11.782446
11.550359
12.553908
8.361994
9.602478
11.530971
9.260595
10.798443
8.416015
12.549714
9.793447
8.467166
10.237717
12.221307
10.734657
8.848978
10.795266
9.443825
10.399152
9.157508
10.369696
10.094080
12.147715
10.076090
9.715951
9.783313
8.511078
8.917568
10.549411
11.354035
8.588416
10.008645
11.516020
9.249895
9.641997
9.172986
9.676529
9.607030
12.018352
8.485637
11.216255
10.107414
11.278123
11.633152
12.424928
9.288343
11.819542
12.666290
11.705824
10.283882
11.236605
11.751952
9.050455
9.442897
8.810093
12.204029
11.685777
9.297653
8.669657
9.744175
11.950219
8.935202
10.542601
11.342518
8.957270
12.497849
9.186967
10.027197
11.704412
12.089619
12.060632
12.550078
9.649273
10.388042
8.497935
10.076918
8.956634
12.472056
11.210640
11.064224
9.542995
10.326583
11.751523
8.414684
10.136263
8.667372
9.415484
12.304594
10.984996
12.765551
10.553786
11.661112
11.632879
10.102280
10.002494
10.778946
8.553234
10.722615
9.973174
8.116865
11.811286
11.618421
8.680281
8.711144
7.521252
11.058762
10.254037
9.031597
10.757334
9.250399
11.980228
7.288665
8.835107
7.888783
8.807229
6.575481
7.034606
8.703881
7.249687
5.074450
8.169271
5.160146
7.940748
8.098224
7.905103
8.773049
6.887127
5.977065
8.420743
8.840678
7.855663
6.234153
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5.475097
5.122547
8.597995
8.511200
5.067370
7.992264
6.615757
5.104968
8.380459
5.211783
6.195700
5.940931
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5.660161
5.954237
7.105518
8.835673
5.685797
6.243187
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8.093829
7.467345
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8.100787
7.686712
6.772500
6.411893
5.188467
7.862865
6.491485
5.927747
8.278283
7.388607
6.317896
6.056780
8.767800
6.335963
8.953108
8.268151
5.494385
7.614444
5.209098
5.199942
6.302515
7.117847
6.385891
6.945235
5.322382
8.365200
6.295434
7.015427
5.335322
7.507630
5.310175
8.859600
8.598727
8.578585
6.810343
7.813425
5.507813
6.859294
6.403470
5.352412
8.469207
8.238853
8.293664
6.524934
8.357753
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5.172964
5.440306
8.937361
5.986099
8.012894
5.685919
8.615574
8.789407
6.127461
8.549654
8.910138
8.225547
7.886059
7.921461
7.001389
8.580538
6.448881
8.750465
7.745186
5.736579
8.902326
7.930616
8.522309
6.977218
5.164663
6.491607
8.297937
5.782846
7.044725
7.970290
6.268456
5.494995
5.819102
7.834788
5.467895
7.721381
6.711951
8.840190
6.710852
7.359310
8.645482
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6.111103
7.640202
8.366665
8.497406
6.365871
8.237999
5.542604
7.262261
5.323969
5.324335
7.387387
6.750160
7.239311
8.723487
8.203940
7.829905
5.652470
8.941389
7.235527
6.862346
5.492798
8.433439
6.028336
8.495575
8.920515
8.770241
6.724281
7.794870
6.787759
6.075701
8.157308
5.084094
7.591494
5.115467
6.631260
6.873333
5.792611
8.406827
6.250755
6.432157
5.386593
5.789071
8.246666
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5.926160
6.209250
5.058336
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7.742134
7.580386
6.003311
6.636753
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6.507965
5.262932
7.730293
5.978408
8.152058
8.613376
6.632847
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5.814463
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7.574404
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5.368282
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6.468291
6.873089
7.517884
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4.859355
6.844035
5.974624
7.230399
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8.256920
5.191763
8.398404
5.006577
6.331080
5.138295
7.794870
6.348415
6.854900
6.691931
7.039232
7.818552
5.042711
6.363918
8.380581
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7.581606
6.121723
6.665685
6.864666
6.230003
6.942915
4.995956
6.190817
7.628239
5.361812
8.534394
7.206839
8.694189
6.882977
4.833964
6.005020
4.980209
8.136433
5.067248
8.199301
5.366695
5.651738
6.526399
6.833537
8.464934
7.121998
6.773843
5.972915
6.106952
7.037034
5.815683
6.846110
5.297113
6.557161
6.672887
7.420347
5.997818
7.505799
6.727210
8.278649
6.127216
8.352138
6.214255
7.679266
7.143239
8.063433
6.240867
6.667150
7.587344
5.697394
6.700720
7.117603
5.965102
5.613285
8.463103
7.582583
8.338221
8.174032
6.210227
7.817820
6.000381
7.816355
8.298547
6.864544
6.616611
6.362453
6.017350
5.560671
8.197104
7.449889
8.622166
6.356471
7.281671
7.951979
6.515290
5.310297
6.711951
8.267418
6.950850
5.139271
6.362087
5.350215
8.637791
8.198569
6.207297
6.358058
7.615787
6.266259
5.102649
6.792276
4.780862
6.008438
8.647557
7.005417
7.433653
6.997116
5.511475
6.950484
7.225394
7.159841
5.596072
5.047716
6.878948
8.532685
# Label of molecule (7)
0.841152
# Number of Instances of molecule (8)
4
10.559356
8.932036
9.461228
10.606069
12.563927
8.989339
11.372383
9.112353
10.273443
8.881365
8.592778
9.995711
9.567740
9.719049
12.494994
10.487538
11.514889
11.051722
11.800344
11.653127
11.814845
8.876103
11.101146
9.602354
9.912373
12.156191
10.406935
10.069634
10.841071
11.761760
12.215060
11.992910
12.025114
11.366670
11.439791
10.890383
9.892766
9.841029
9.025412
11.906000
10.219686
10.443215
12.734460
8.752787
9.058926
12.305437
11.407623
10.191994
11.548606
11.759569
12.430891
8.288321
9.744178
11.754328
9.264345
10.973692
8.447846
12.361537
9.586765
8.481140
10.256426
12.290483
10.784873
8.878361
10.624914
9.477544
10.588513
9.150013
10.406225
10.161214
12.189022
10.244644
9.740754
9.972347
8.435793
9.001505
10.472739
11.413777
8.614846
10.130974
11.527027
9.456173
9.801812
9.285666
9.535457
9.647457
12.258432
8.396625
11.135786
10.116973
11.243741
11.424089
12.466050
9.230085
11.822526
12.587791
11.543906
10.282582
11.097141
11.688399
8.944096
9.405235
8.901594
12.254087
11.377475
9.318730
8.996229
9.651005
11.454913
9.020485
10.570199
11.446614
8.898110
12.801955
9.184557
9.949384
11.469572
12.051464
12.444231
12.221606
10.019199
10.114392
8.719794
9.926579
9.211016
12.667901
11.266906
10.632184
8.979917
10.180465
11.515512
8.668310
10.537872
8.845941
9.117850
12.497317
10.609456
12.477784
10.138321
11.808559
11.193482
9.913112
10.169131
10.475445
8.692585
11.131657
8.398081
8.770178
11.590687
11.609349
9.289286
9.068803
8.156930
10.184731
7.896232
11.821705
10.169968
8.820743
10.129683
6.783876
8.120711
7.799016
9.757379
7.012634
9.455960
7.025281
7.135060
6.313868
6.627110
8.264245
7.164113
5.164296
8.872295
5.847545
5.703986
7.746651
6.351955
5.388546
6.606479
7.977004
6.646764
6.679968
8.930525
5.823618
5.218253
6.718543
8.319910
5.804453
8.893780
5.699103
7.561953
8.070757
7.216117
6.531159
5.199698
7.450987
7.538392
6.254784
9.075426
5.831797
7.733100
7.729438
7.676214
5.249138
6.395779
5.971572
6.162496
7.065477
8.414396
5.515137
7.948683
8.607639
5.781014
7.171072
8.713965
6.641636
7.521790
8.560030
7.719428
7.057299
6.617588
8.793313
7.302789
6.139180
5.793222
5.677740
5.429075
6.798746
6.047502
7.818918
8.170370
7.142140
7.802072
5.996597
6.990280
8.748756
8.540498
6.190817
7.709174
6.036515
6.816446
8.629978
8.022050
8.087237
8.502899
7.236625
6.448271
6.308008
5.158681
5.849254
7.584414
7.304376
8.387783
5.589602
6.537507
8.337977
6.064837
7.755562
5.412717
6.746864
8.304041
6.611240
8.731422
8.700537
9.043809
8.451384
6.652135
8.665868
7.125294
7.313044
8.873882
8.959822
8.736793
5.712287
6.091449
6.762490
7.100269
6.778115
5.882580
5.966323
5.276482
6.159688
7.898389
5.235954
5.960952
6.083270
5.233634
7.654363
6.147237
7.931349
8.853008
7.329646
8.533174
5.720832
5.945082
6.338282
7.543397
8.854595
9.082751
5.378414
5.844859
8.520722
7.062059
5.509888
7.229057
8.117023
6.296655
8.355190
5.736335
8.071856
5.640996
8.135090
8.897809
5.439451
5.519532
6.917768
6.969161
6.644322
6.234031
6.450713
6.031632
5.747200
8.326746
7.956252
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6.611484
5.872936
5.261345
5.260613
5.341670
5.577883
6.639439
6.334422
6.517045
5.002350
7.353618
5.432417
7.742058
8.229499
7.549425
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8.488296
6.700278
7.792230
5.961852
5.570238
6.699423
5.798151
7.036836
8.244636
7.364605
4.900296
5.066561
7.191137
6.967498
4.902249
5.231727
7.831294
5.810968
8.204230
8.088992
7.357158
5.620411
7.578234
6.285470
8.845607
7.299905
7.966063
5.827815
7.834223
6.932218
8.676656
6.781335
8.733543
7.895749
6.355541
8.272958
6.448439
4.972808
5.104282
8.674093
6.587725
6.326609
6.122257
5.839045
7.632801
5.218421
7.246559
8.272591
6.443312
7.343852
8.767113
6.101138
6.473708
5.659841
7.887936
8.725852
6.075137
8.580584
6.214057
6.027894
6.258858
5.412885
8.635151
8.006104
7.295022
6.911954
5.982971
7.716422
5.522996
8.826930
7.838374
6.393750
7.747795
8.314341
5.860042
5.626637
6.595782
5.094516
6.013367
5.462081
6.208808
5.224158
6.071108
5.315592
5.647511
7.361309
8.763695
6.560747
5.381024
5.397992
6.952361
5.672170
8.237556
7.334574
7.201270
8.800806
8.191168
8.271493
8.122806
8.650899
6.359447
5.393109
7.870235
6.538896
7.586901
8.818873
5.155919
8.506485
4.989166
8.196417
8.166875
6.361766
5.833918
4.912137
7.752312
8.528459
6.131535
5.794000
5.262856
7.570544
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8.181158
7.410138
5.275430
6.366894
8.235481
6.526566
6.164617
8.815577
6.371654
6.598102
8.309580
7.898068
5.678396
5.444990
6.327219
7.342509
5.206336
5.426923
7.430525
7.097385
7.999512
7.045625
7.408429
5.399701
5.742729
5.821345
7.410260
8.553728
7.902463
6.818323
6.410474
5.795343
5.233436
5.192053
6.227241
8.618671
8.131046
8.095889
5.644276
7.766533
8.960295
8.613605
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7.342204
6.010620
5.786126
8.877529
8.624104
8.385449
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6.013672
6.522843
8.072451
6.521378
5.085055
8.823328
6.666280
5.075900
8.665120
5.396710
8.770104
8.287667
6.892972
6.436903
6.951567
6.498795
8.661092
8.094058
5.130222
5.857418
7.918394
5.882809
5.267678
5.877926
8.968108
6.238289
8.238472
6.586566
8.629719
8.596026
5.754631
8.628864
7.146153
8.368969
6.222175
7.711600
5.705679
5.200171
7.399091
6.757958
6.457778
6.862331
6.735984
7.146153
8.895108
5.180517
6.269417
6.410291
6.477676
6.354625
6.945708
7.777886
5.375469
8.054384
5.249733
8.915860
5.201636
5.662832
7.012726
7.265419
7.613697
8.043764
7.274819
5.336039
8.656697
5.206885
7.078158
5.335551
8.723838
8.247383
8.063784
8.511917
8.009217
7.932066
7.747978
8.579791
5.327494
8.311838
8.354808
6.609394
8.175848
5.729850
6.076418
8.750694
7.913266
5.604480
5.639637
6.167608
7.931822
7.360759
7.051180
6.559954
6.695578
5.884518
5.397809
8.644856
7.520676
7.875912
6.577044
8.974578
8.974334
7.475143
7.830988
8.465529
7.763604
7.538377
5.961058
8.013245
7.994079
6.935209
6.097293
8.567583
8.668661
8.245918
5.896359
9.044527
7.303995
6.231452
8.045839
5.448836
7.540330
7.452315
7.946593
8.582598
8.616535
5.410260
5.451033
7.714042
8.589068
5.589343
7.530442
5.584216
7.167028
8.769616
6.746971
8.121891
8.040223
6.988922
6.405774
6.246590
6.573504
8.530229
5.261574
5.131443
6.743919
6.304209
8.654744
6.302866
5.195166
6.008423
6.951689
5.949828
# Label of molecule (8)
0.820122
# Number of Instances of molecule (9)
3
10.532303
9.096746
9.664720
10.717781
12.426744
8.893842
11.438531
9.203285
10.394726
8.877658
8.661465
10.066105
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9.871588
12.684562
10.455027
11.761096
10.970835
11.471224
11.567913
11.752116
9.056876
11.036987
9.602964
9.739731
12.465960
10.672108
10.118651
10.990353
11.777450
12.347473
11.911637
11.976771
11.366832
11.466167
10.654806
9.994654
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9.141554
11.864365
9.976655
10.405229
12.575196
8.836427
9.301242
12.498186
11.545285
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11.848127
11.548377
12.347272
8.353004
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11.661776
9.356251
10.904263
8.566196
12.342359
9.793957
8.402706
10.103503
12.414953
10.782793
8.785638
10.623159
9.365426
10.309393
9.251389
10.456688
9.992237
11.950595
10.183838
9.798662
9.811980
8.539648
8.888911
10.558612
11.464523
8.809342
10.052818
11.718021
9.351746
9.720225
9.332934
9.671746
9.484244
12.309264
8.330342
10.966085
10.049482
11.268702
11.347444
12.540820
9.350357
12.100135
12.379284
11.744941
10.297907
11.198570
11.897473
8.956537
9.444825
8.896192
12.087544
11.394869
9.153771
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9.665390
11.712182
9.115518
10.614343
11.347944
9.099650
12.600453
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10.223366
11.278362
12.126524
12.477630
12.571450
10.104289
9.903394
8.738072
10.087802
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12.840731
11.201831
10.660656
9.156296
10.054522
11.892784
8.641824
10.102862
8.735329
9.060955
12.586840
10.925576
12.492331
10.388345
11.657668
11.517924
10.083541
10.488984
10.461844
8.548248
10.634615
10.020466
9.061577
11.312424
11.555808
10.322411
11.395019
8.371032
12.790553
10.321724
11.755237
9.807521
11.196442
9.304749
8.121721
8.630029
8.569451
10.200693
7.498627
8.182119
9.429988
8.472991
5.173696
8.837138
7.235649
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6.854167
8.950423
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6.529206
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7.227958
7.953200
8.866070
6.820231
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5.612308
6.225120
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6.538118
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5.359371
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7.148732
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6.896649
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8.440886
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5.978286
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5.964614
5.586184
8.412687
6.954512
8.980331
8.635838
5.603275
5.691534
8.409879
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8.569552
5.896619
6.248802
5.939222
5.116077
7.420103
8.552950
5.359615
6.373440
5.699957
5.943617
6.632603
7.611637
5.734138
8.824442
6.179952
5.702887
6.732093
6.683264
8.318079
5.607547
6.321314
6.855510
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6.258202
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6.123066
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6.217307
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6.524812
6.719031
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6.554842
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6.505524
7.917310
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7.189016
7.630070
6.238304
7.428037
6.312159
6.902875
6.469512
7.997635
8.980697
7.029954
8.399014
6.066057
5.847179
6.851604
6.133442
7.967849
8.897565
6.745643
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6.309961
7.411679
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6.590854
8.794534
6.414090
8.854595
8.156819
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6.781655
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5.700934
5.566774
5.581668
9.004257
5.536500
6.598056
8.189535
8.305261
8.697119
8.752052
5.321406
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5.121204
5.332026
6.215964
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7.423643
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8.337977
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7.627140
8.013382
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8.620899
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6.038667
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6.481552
7.647603
7.921049
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6.069552
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6.871334
7.043947
8.431684
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8.391278
5.251167
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6.726188
8.434370
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8.659108
7.323374
5.493240
8.550096
5.515580
6.510727
7.729392
8.824030
6.631336
7.098148
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6.463973
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5.720420
5.442946
6.445784
7.861110
5.798425
8.298746
6.281472
6.141575
7.990997
7.614032
6.295999
7.783227
8.015046
7.794946
5.459426
5.180364
5.707358
8.227821
5.647664
5.994476
7.204718
7.061403
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8.089145
8.113804
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8.707083
6.050264
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6.450911
5.726524
8.669607
8.922422
5.491165
5.597858
8.761040
5.322214
5.880337
8.934385
8.690359
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8.642506
6.845943
6.989624
5.732139
6.502670
8.708792
5.432814
5.092471
6.584094
5.362987
5.947966
7.298471
5.878140
8.617481
8.738823
7.704489
5.863247
5.931486
4.994079
5.702231
6.646962
7.153691
7.556658
6.937742
7.005860
6.188818
8.928892
5.147771
6.700552
6.470321
5.988617
7.486709
5.437086
5.111759
8.792657
5.221625
6.853877
8.614185
8.838069
5.669759
# Label of molecule (9)
0.870599
# Number of Instances of molecule (10)
3
10.490600
8.945260
9.585194
10.470077
12.554884
9.043186
11.511472
9.245299
10.334329
8.872354
8.616224
10.016622
9.503397
9.823215
12.502204
10.629729
11.718617
11.094208
11.729352
11.523432
11.928522
8.864572
11.003259
9.753048
9.695422
12.317052
10.630334
10.118828
10.831145
11.712134
12.470437
12.199088
11.929097
11.143097
11.632586
10.697651
10.055582
9.916644
9.259269
11.739071
10.044274
10.354287
12.637450
8.816908
9.239562
12.458251
11.639841
10.142377
11.777691
11.547582
12.488145
8.317065
9.711790
11.547110
9.439803
10.904145
8.529207
12.348455
9.738519
8.616606
10.043463
12.112322
10.734774
8.638673
10.781118
9.250342
10.308539
9.219846
10.242346
9.900115
11.947159
9.994031
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10.010405
8.445180
9.002356
10.429358
11.224439
8.612626
9.994390
11.770061
9.463526
9.833691
9.182169
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9.577668
12.103137
8.444726
11.097117
10.063811
11.224222
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12.243644
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12.651220
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10.013983
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11.854878
9.070541
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12.110003
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11.719880
9.199042
10.543540
11.588675
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12.870228
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10.109797
11.335463
11.884652
11.855792
12.658818
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10.032414
8.512245
10.511848
9.198956
12.355566
11.166775
10.587220
9.077599
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11.759955
8.551966
10.119668
8.770173
9.542415
12.392233
10.874256
12.460060
10.065734
11.468099
11.595733
9.821257
10.089378
10.274435
8.639809
11.029816
9.834259
8.601900
11.842878
11.168052
10.391111
11.293287
8.856501
12.376809
10.619815
11.780583
10.856522
9.482014
11.134624
6.495274
6.665013
6.987705
8.634198
7.189203
6.887603
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7.842265
7.724708
5.546907
6.305841
5.805094
5.925214
7.450041
5.154073
6.251885
8.286370
4.855113
8.740730
7.073687
5.576937
6.491882
7.985580
5.438749
5.381252
6.703192
7.945418
6.354060
7.606662
5.206687
6.037400
8.344600
5.767373
8.160878
8.474609
6.124683
8.415281
5.409940
6.286676
8.136830
5.094378
4.785409
6.302057
4.832041
7.194296
6.334895
6.465880
5.568514
8.076281
5.357082
6.868236
8.000717
4.847911
7.116535
5.859661
5.837565
6.162404
6.112110
8.626347
6.841746
8.414304
4.776009
5.601840
6.946120
8.710334
8.477538
8.089953
8.362911
4.987808
7.705176
6.472350
7.559542
7.656957
8.305902
6.379330
4.977432
5.140889
8.650884
8.193838
6.366634
7.690527
8.609378
5.268700
7.614231
7.845927
5.199240
6.228690
4.938246
5.922895
7.794290
8.733406
6.326106
6.897046
7.760231
6.076098
6.087085
5.061052
7.395352
5.995163
6.400082
6.831858
7.051714
7.068682
7.726661
8.079089
7.309900
8.071520
7.966659
8.353877
5.084246
7.669164
8.231193
6.389828
8.532594
5.820353
5.108295
7.253624
5.645177
8.267815
7.294641
5.517243
7.389615
5.488067
8.470214
6.831126
8.283197
7.478973
6.290094
8.268059
5.272851
5.756142
7.368496
7.817606
5.792276
7.937849
8.129383
7.403043
5.874920
8.288079
7.400235
7.797098
5.196677
7.597751
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7.810160
7.922834
5.775796
7.552583
6.128590
8.234977
8.526490
7.335292
6.175100
5.412381
7.487396
4.812143
6.368099
7.344203
7.203574
5.952559
8.154286
7.343471
6.313044
6.274590
8.190054
5.144673
6.317194
6.133839
7.045854
4.953139
7.312952
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4.809214
7.014939
8.102618
6.591464
5.903577
6.031755
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7.763985
5.070177
5.504517
5.641362
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6.843303
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6.174825
4.957503
8.159505
5.487548
7.058641
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6.121967
6.141133
6.709876
5.342402
4.959700
5.121937
4.939802
6.512116
4.946028
5.518677
7.245170
5.220206
6.654698
8.338466
7.371761
8.803323
5.925672
7.084155
6.526521
5.481567
4.917707
7.699896
5.614383
7.315485
6.621494
5.757698
8.871563
7.591372
6.208762
6.761391
7.273370
5.512940
6.592196
5.443480
8.091144
5.072008
7.571474
5.928602
6.970992
4.973006
7.940382
6.639195
4.912336
6.488800
5.929579
7.818064
6.518952
8.119831
5.360225
5.544557
5.899182
5.933729
8.884381
6.115741
8.589328
8.459319
5.684210
8.671850
7.875072
5.009995
7.010788
5.937025
7.887158
8.313196
4.929548
6.954390
7.844554
6.316675
7.655339
7.685858
7.821970
8.053423
6.845744
5.356319
6.415189
6.432402
6.232078
6.413968
6.679968
6.836955
6.960616
7.982376
8.719581
8.400601
7.019822
6.680822
5.295404
6.839396
6.128193
6.686071
6.836833
5.712775
5.458983
4.911969
8.223228
4.989853
5.574709
5.180288
7.715155
5.794321
7.948683
7.259697
6.409574
8.205649
7.446226
6.646031
6.592563
4.987777
5.143056
6.961104
5.365474
8.125446
8.854595
8.842021
5.920301
7.037278
6.748939
5.198599
6.837565
7.345271
5.424924
6.713660
7.783395
5.073473
5.821909
7.458800
7.979812
5.151601
8.343104
6.503327
7.823069
7.097827
8.563814
7.391293
6.025895
6.756508
6.900922
7.358699
6.658483
4.966170
5.618778
6.169332
8.461516
8.031449
8.544893
6.442656
6.809122
# Label of molecule (10)
0.856936
# Number of Instances of molecule (11)
4
10.372312
8.961117
9.494826
10.554334
12.410165
9.114857
11.442233
9.221514
10.403921
8.769132
8.510022
10.096857
9.486879
9.734415
12.579657
10.466272
11.673614
11.181044
11.730428
11.578016
11.938981
8.834306
10.918049
9.655368
9.827624
12.244277
10.539487
10.010603
10.910714
11.635090
12.299699
11.931036
12.086806
11.242652
11.556814
10.739120
9.909737
9.759700
9.032884
11.824759
10.118404
10.304447
12.435648
8.772512
9.313842
12.385611
11.570179
10.145888
11.648249
11.436170
12.382311
8.442280
9.631319
11.594764
9.386581
10.696231
8.546443
12.346021
9.557228
8.396009
10.052614
12.131700
10.814446
8.788945
10.901749
9.304106
10.523277
9.346541
10.388930
9.956378
12.203607
10.170650
9.866310
9.866702
8.486212
8.947474
10.591574
11.477702
8.730672
10.032707
11.771263
9.304493
9.630520
9.132558
9.630975
9.457622
12.187078
8.401413
10.972974
10.147750
11.136303
11.638719
12.261490
9.267065
12.005880
12.373182
11.540512
10.139272
11.238220
11.652333
8.934413
9.606451
8.771099
12.101162
11.439419
9.124553
8.850560
9.610778
11.682581
9.201253
10.594290
11.484667
9.200834
12.685986
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10.287488
11.722944
11.953844
12.238650
12.766488
9.805017
10.338720
8.963728
10.313149
9.011060
12.440131
11.316910
10.768641
9.397604
10.318820
11.410748
8.636344
10.209767
9.129319
9.412507
12.686680
11.088233
12.391180
10.156811
11.841476
11.563708
9.709049
10.039178
10.406704
8.896215
10.767968
9.591272
8.776906
11.775588
11.503233
10.120722
11.413559
7.925852
12.144824
9.470963
10.920023
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10.988609
9.698831
8.149215
7.516765
7.155217
7.089290
6.002258
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6.669322
8.857524
7.783639
8.607517
5.266961
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7.554384
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6.573275
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8.736549
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6.928510
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6.995407
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7.588443
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8.016434
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5.820200
6.678381
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7.549013
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8.377529
6.934248
5.685919
6.301660
5.261467
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6.314966
6.383816
7.735908
6.193503
7.916456
8.996811
7.152150
7.506897
5.317011
5.901502
7.631169
8.349940
7.636784
5.082141
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7.741157
6.924604
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5.844859
7.704047
6.100360
5.124134
9.060167
7.073046
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6.259301
5.823618
5.923231
8.483612
6.432157
6.299707
7.995315
8.839091
8.217490
7.715644
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7.167653
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8.693701
8.432096
7.381893
7.497375
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8.350063
5.380001
6.484161
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5.124989
8.094684
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6.074358
5.472411
8.854595
6.660680
6.737587
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7.236137
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5.130238
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8.242637
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8.976058
8.663549
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6.088519
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6.041887
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6.188864
8.053423
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7.047044
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6.141865
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8.389370
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8.208457
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8.325892
6.088153
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6.524323
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6.639927
7.590640
7.404965
8.840556
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8.477142
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7.454039
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6.482086
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5.656499
7.785836
7.363460
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8.131428
6.949629
5.884777
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6.243309
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6.773476
9.270623
8.560030
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8.471282
6.986984
5.438475
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6.076312
5.816660
8.473968
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6.437284
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8.368130
5.435423
6.619663
8.889996
7.525575
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6.989425
5.943861
7.064501
7.465026
9.158193
7.987259
6.213889
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8.445891
8.244102
7.900342
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6.597812
7.401181
5.964370
8.265831
8.186117
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5.739998
8.085528
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9.118641
8.585665
6.703772
5.325800
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9.031968
8.822611
5.632084
7.431211
8.422208
9.093860
9.133168
6.256249
6.919233
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6.508454
6.894086
5.755501
7.137989
9.011826
8.798685
5.599246
5.765877
5.724006
7.372250
8.913800
7.844798
7.986648
5.423582
8.183065
9.094470
5.889172
6.587680
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8.950911
7.687201
8.080645
6.054460
5.630375
7.023972
8.166219
7.404965
7.842479
8.832621
5.708258
5.729621
7.524598
6.792276
7.184133
7.610172
7.977737
7.215262
6.532624
7.216605
7.773141
8.236778
9.215567
8.103717
6.808634
9.186270
5.862560
5.874279
6.888836
7.012497
6.878948
7.585879
9.202506
6.638707
7.387753
5.772225
9.074084
6.121967
5.884045
6.959883
6.364040
7.492981
# Label of molecule (11)
0.859978
# Number of Instances of molecule (12)
3
10.606755
8.931286
9.561811
10.530879
12.574954
8.957585
11.474539
9.381737
10.455468
8.818704
8.626482
10.102378
9.520464
9.745424
12.633641
10.474691
11.474562
11.257062
11.761108
11.553917
11.799578
8.785098
11.102779
9.487849
9.859688
12.205242
10.592756
10.101060
11.080612
11.816585
12.447835
12.027221
12.221437
11.318135
11.639027
10.709133
10.071761
9.689606
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11.916943
10.050166
10.382636
12.721946
8.844001
9.277514
12.551940
11.373500
10.046954
11.833903
11.454666
12.364541
8.326414
9.793538
11.529795
9.340931
10.729871
8.424984
12.525624
9.757564
8.506669
10.322356
12.355412
10.732743
8.726033
10.785432
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10.376578
9.232630
10.277299
10.072656
12.112142
10.278190
9.696120
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8.470815
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10.499229
11.305238
8.645784
10.094665
11.696474
9.302051
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9.175124
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9.550901
12.271650
8.466470
11.147580
10.003723
11.164627
11.421300
12.465855
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12.435412
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10.157161
11.202849
11.750111
8.897323
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12.221064
11.631535
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10.159113
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10.047662
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8.606434
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9.079022
12.273147
11.187805
11.127007
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10.306302
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9.257048
12.104807
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10.147663
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10.547251
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10.659315
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8.410489
7.331233
5.482665
9.082873
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6.461699
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6.589755
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7.032151
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6.422025
6.813272
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6.198874
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8.779763
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7.628117
7.309259
5.802011
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6.962813
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6.401883
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6.327784
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7.925245
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6.137715
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6.434111
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5.909070
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5.267937
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6.041765
5.179067
7.484802
5.776498
6.912275
6.683142
9.034776
6.296167
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6.082293
6.684973
8.931379
7.142750
6.386013
5.197256
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6.513825
8.928205
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7.938551
5.865368
6.188498
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6.966597
8.132405
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8.041704
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7.217826
5.332881
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6.253807
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6.441313
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7.695502
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8.882061
8.051836
6.870403
8.588229
6.096698
7.730781
5.677007
8.081500
# Label of molecule (12)
0.852608
# Number of Instances of molecule (13)
5
10.385389
8.992083
9.680306
10.634262
12.267723
9.077022
11.468763
9.248977
10.412368
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8.926298
8.155278
8.894070
6.910978
6.237007
5.710013
5.444868
5.489181
8.392468
5.995056
8.108524
7.327982
8.259774
5.953307
7.867672
7.202246
8.207038
8.120121
4.951201
7.295389
6.934904
5.510788
8.895535
6.208563
6.737022
5.345744
7.723380
5.742851
6.066713
6.984222
6.116153
5.831233
8.282357
7.446150
6.451735
7.992309
7.447371
5.893979
8.585711
5.683767
6.060488
8.450575
6.248726
5.929014
5.590625
8.727561
7.937742
8.591937
8.691061
5.440474
8.171758
# Label of molecule (13)
0.816417
# Number of Instances of molecule (14)
5
10.668138
9.158729
9.664675
10.612816
12.549907
8.873787
11.362509
9.333130
10.356839
8.793704
8.583757
10.018558
9.390879
9.730206
12.493024
10.594878
11.740606
11.057461
11.789303
11.799258
11.745731
9.009183
10.881592
9.743188
9.909082
12.434468
10.431481
9.909281
10.963190
11.703161
12.456604
12.225034
11.950422
11.144379
11.633959
10.963324
10.028148
9.738833
9.030159
11.979905
10.045390
10.323626
12.406379
8.866732
9.239844
12.652555
11.573864
10.129465
11.839893
11.638145
12.449943
8.436865
9.766866
11.439864
9.398606
10.996497
8.514519
12.623092
9.651602
8.503366
10.162740
12.430147
10.915252
8.673529
10.871285
9.454276
10.294558
9.278557
10.206380
9.973695
12.167640
10.181334
9.831628
10.050311
8.522454
9.042697
10.512280
11.184790
8.545797
10.071070
11.574600
9.215796
9.615307
9.254322
9.669083
9.679415
12.116013
8.345672
11.043725
10.067993
11.187831
11.645988
12.262063
9.298414
11.901841
12.689772
11.657220
10.118141
11.055887
11.961674
8.937537
9.619694
8.732570
11.916845
11.444940
9.140654
8.894081
9.717968
11.522347
9.007064
10.500831
11.295246
9.150030
12.727764
9.499958
9.935080
11.510459
11.840685
11.944027
12.794919
10.187851
9.845059
8.690986
10.181120
8.997133
12.413921
11.367437
10.956338
9.142992
9.941313
11.835634
8.765017
10.102423
9.148473
9.061472
12.484011
11.139414
12.303195
10.449299
11.724795
11.529380
9.698538
10.035011
10.390740
8.368461
11.016410
9.619055
9.069658
11.747579
11.445929
10.137305
11.034083
8.475519
12.346397
10.552023
11.299960
10.978982
11.056354
9.869177
8.073387
8.617634
7.013653
9.995282
7.685849
9.836252
9.355917
8.210532
5.950087
6.392605
5.014634
6.841350
5.938856
8.421110
5.646123
7.468932
8.629978
8.244713
8.639500
5.209342
8.789407
5.034043
7.837474
5.483520
7.781442
6.745521
6.756874
5.899182
4.991928
8.515229
7.789621
6.375759
7.650090
8.482879
5.238762
5.385617
7.423521
5.920301
5.566897
6.188498
6.162130
8.539644
8.228721
6.931928
7.165456
5.855846
6.465728
6.495148
6.347316
7.479431
5.437254
7.949293
7.675726
7.213065
5.060900
7.509705
5.259636
7.829539
4.940291
6.856243
8.460662
7.402036
6.753212
8.695288
8.400723
6.066301
7.475280
5.438108
6.246483
6.086200
6.815836
8.873882
5.639897
8.099322
6.237938
6.706336
5.652104
8.417203
6.941328
5.836070
8.637791
8.255333
8.179647
8.257653
7.360042
7.768136
5.288934
7.449767
5.766854
7.763131
8.803568
7.133351
5.788461
7.969436
8.030717
6.270165
6.534333
8.737648
8.462493
8.179769
8.263634
5.041856
6.398709
5.648442
7.503357
7.664373
6.154927
7.905835
7.691107
8.431974
7.232353
5.342036
7.715033
8.384121
6.822428
5.844127
8.728126
5.745247
5.024277
6.623203
5.610355
6.576571
6.146138
7.409238
7.455138
6.982101
7.468566
8.888653
5.452391
5.745491
8.843974
6.257591
8.547945
8.270837
6.506134
5.769173
5.247673
8.702734
8.467009
6.146504
7.949171
7.102344
6.872600
8.738868
6.167989
8.552217
8.697119
6.293970
5.040513
5.065294
8.145100
6.224143
7.473083
7.175344
6.143086
6.237571
8.315027
6.079608
8.288659
6.213767
6.931440
5.214225
6.638096
6.194357
6.547639
6.131001
8.703467
6.367702
6.742958
7.556948
7.036180
6.919721
5.468261
7.917615
5.251396
8.611972
6.800027
5.357723
6.224082
6.815043
6.194784
7.612796
8.703162
7.630253
7.634770
8.337916
7.888440
8.067522
5.378231
8.074358
7.413205
6.433439
5.529359
8.678259
6.376797
6.147053
6.221885
8.741859
6.525117
7.735603
5.390683
5.882275
7.956313
5.884716
7.504151
5.772530
7.722663
6.418424
6.630955
7.789071
5.707831
8.083758
5.220023
7.151967
8.151753
8.015275
5.964553
7.432371
5.198294
7.753792
8.127827
7.302118
8.842936
6.695654
5.704779
7.400143
7.652226
7.845592
6.795389
5.191580
8.632847
6.750099
7.561525
7.694098
6.623630
8.485260
8.147969
5.945021
7.586184
7.573733
7.936903
9.088549
6.168294
7.708014
7.514405
5.951735
7.917249
8.151265
6.722999
7.990493
8.515046
5.693915
6.174398
5.475646
8.412503
7.040757
5.598819
6.798318
7.237907
8.501007
6.404996
8.765053
8.351955
5.858837
7.826426
7.761849
5.928175
7.299921
8.027848
7.660649
8.930952
8.264550
7.548585
6.341029
6.366176
9.108936
6.455779
8.706458
8.182394
6.443449
8.584994
8.065813
6.192831
7.027573
8.240013
7.758431
5.398373
7.092639
8.729774
8.895306
6.081866
5.971267
8.116352
8.093524
7.052355
8.904828
5.547792
7.077013
6.411832
7.906140
7.553224
6.019852
6.220664
7.552370
7.672246
6.506684
5.437193
8.582308
6.797220
7.985488
7.504517
8.172384
7.600223
7.587283
6.961409
5.769234
6.420988
7.188101
5.451842
5.350398
7.991348
5.588321
5.507630
6.990219
6.369716
7.684088
8.479522
6.605441
5.463073
8.505646
8.991501
8.755898
6.508026
7.998306
8.294580
7.373653
7.888806
6.420377
6.892315
8.481582
7.064913
5.741508
5.441939
8.606830
8.173711
9.057283
8.437880
8.926420
8.847926
7.436628
5.900327
6.898526
7.461776
7.414533
7.229102
8.166997
7.001679
8.802271
5.932920
9.037507
7.207739
9.424726
8.299936
8.695090
6.614460
8.788476
9.402875
9.040437
6.865322
7.553209
7.815058
6.017151
5.674245
5.684256
8.413221
6.306467
6.812098
8.159185
8.640156
9.264565
5.490646
9.103183
5.603687
7.976318
5.520554
7.230689
7.388043
9.302408
6.617267
7.465926
5.947691
6.791711
6.230537
5.617969
6.966399
6.338816
6.272774
6.986297
6.048524
6.455031
9.120518
7.769158
6.623981
9.035066
9.263710
6.154607
8.937162
6.488235
8.979888
7.963256
5.497848
9.114048
8.405408
5.722587
8.368419
6.592730
6.380932
8.045534
7.660268
7.470199
6.444777
6.187689
6.618244
6.508255
8.350475
6.661458
8.664937
7.778558
7.481674
8.777245
5.780450
9.372723
6.541704
7.991211
7.594592
5.604541
5.890683
7.932493
8.563616
8.581072
8.906278
5.983947
8.608173
9.012970
8.743309
7.294168
8.587786
6.145085
8.865993
8.092532
7.986206
6.677450
7.729484
7.185522
6.181707
6.553056
7.984497
6.507035
6.679525
7.489975
8.580096
7.597766
5.679495
6.127995
8.139897
8.890286
8.354991
7.670034
5.987854
6.673421
6.217231
5.888241
9.195959
8.611225
6.942228
9.374432
8.030519
6.691610
6.030457
7.906125
8.173711
6.479934
7.681509
6.805994
6.091250
7.552110
8.250618
7.167455
7.924558
7.981933
5.669729
7.823481
6.281564
7.759392
8.201910
6.931364
7.300760
8.012085
5.907651
7.050874
6.362987
8.907498
6.198065
5.588794
8.828150
6.038026
5.720267
7.215674
5.391766
6.574541
7.429304
6.743004
4.987945
7.164159
7.076876
6.806726
5.363689
6.019349
6.889248
6.339915
5.221107
6.556352
7.227027
8.000366
8.730125
7.419050
5.336467
7.329203
8.182745
6.992889
5.750175
7.591662
5.732475
8.288095
6.709189
5.169836
5.595630
8.063845
4.985504
8.387219
6.086978
8.069948
7.477767
6.636677
6.868007
8.280770
7.953368
8.688986
8.780297
7.996582
5.317301
7.054903
5.639576
6.686117
5.776666
7.278787
5.366985
6.447951
5.279824
7.034394
7.829463
7.962279
6.603839
7.903073
8.767113
5.811335
7.465316
8.704123
5.181677
7.041353
6.029481
7.256813
7.561144
6.841029
8.193731
7.446150
6.313425
5.214026
7.017426
6.468093
5.788873
6.516923
6.677572
7.130711
5.261147
5.739677
5.321451
6.082827
8.245491
7.404523
5.193030
6.850063
7.527573
8.955107
8.408216
8.548479
7.278054
6.514115
6.752525
7.153172
5.628468
6.883755
7.878414
8.198370
7.082858
7.660512
6.275582
7.779656
8.140019
5.345988
5.388958
8.737327
5.502121
5.321696
7.261696
8.894436
6.244819
5.567797
8.074953
8.224250
5.321329
7.998779
7.961913
7.822260
5.779839
5.290323
5.470870
7.558092
7.065401
5.074984
5.050325
7.281961
8.782617
7.379009
7.933714
6.461135
7.295633
5.175817
6.796472
7.120579
8.537736
7.933348
6.563433
6.963836
6.407300
6.027161
7.736930
7.548204
6.124821
7.896115
6.625935
8.389416
5.925718
7.815668
8.847194
7.871700
8.464614
8.162725
6.474441
5.837336
7.303812
6.047792
7.213355
8.730003
7.865719
8.190435
5.971496
8.168950
8.218146
7.909421
7.204810
# Label of molecule (14)
0.862564
# Number of Instances of molecule (15)
3
10.401034
8.984695
9.504777
10.514346
12.592227
8.990045
11.443219
9.292551
10.354420
8.714375
8.491912
9.863777
9.432160
9.960193
12.421228
10.476983
11.668556
11.084303
11.499875
11.615229
11.922600
8.842911
10.966554
9.494777
9.689345
12.352999
10.519253
10.071745
11.058719
11.870350
12.384404
11.921034
12.054191
11.177463
11.455379
10.653320
9.817186
9.684924
9.229814
11.952282
10.206795
10.219200
12.663528
8.673286
9.118717
12.630168
11.456241
10.151741
11.695594
11.657446
12.316059
8.380292
9.544485
11.626474
9.274321
10.702236
8.437230
12.305219
9.642294
8.403059
10.167514
12.270579
10.875701
8.900462
10.881531
9.342684
10.529682
9.228327
10.208576
10.113623
12.262806
10.262838
9.857289
9.928958
8.445063
8.983032
10.594941
11.334328
8.566936
10.084699
11.608999
9.217436
9.749955
9.397440
9.554262
9.624802
12.114241
8.386917
11.252478
10.055046
11.142382
11.329584
12.307771
9.284596
12.051363
12.460507
11.569593
10.270414
11.152321
11.919623
8.943957
9.573191
8.811996
11.941999
11.664847
9.115795
8.906032
9.423406
11.711921
9.146392
10.641798
11.089728
9.113723
12.663809
9.094683
10.129981
11.228048
11.962427
12.301502
12.414502
9.692639
9.858917
8.686812
10.195898
9.418922
12.337392
10.903548
10.865796
9.254012
10.030817
11.482951
8.699683
10.438855
8.799337
9.291353
12.056307
10.865799
12.572450
10.029708
11.551403
11.742507
9.909360
10.411315
10.415907
8.385752
10.777899
9.780881
9.009757
11.429668
11.092604
10.435901
11.056672
8.432840
12.259778
10.403640
11.492961
8.278993
9.193745
8.739593
8.865464
7.003920
6.577741
10.269500
5.746699
6.662474
7.180518
5.887631
8.552141
7.418928
7.379131
8.431776
6.591021
8.041139
5.784478
8.711203
5.097934
5.225867
5.769707
8.439467
7.171606
6.517045
5.056429
6.540483
7.937376
6.924039
7.380230
7.619251
7.051485
8.045534
6.099796
5.579638
8.383801
7.777215
5.672903
6.767541
7.755364
7.981445
8.874905
7.010468
7.606067
5.492477
7.633534
6.932096
7.467025
5.833186
5.357097
7.914670
5.111972
5.016877
8.629536
5.084017
5.264565
6.810389
8.146489
7.695547
6.733726
8.833888
6.770470
7.289773
8.854884
8.869778
6.576739
8.000366
8.110843
8.760155
8.767113
7.382550
5.806940
7.262429
6.325144
6.141789
5.675832
7.243141
7.290139
7.134861
6.287301
8.581072
8.521378
6.019959
7.137913
8.157476
5.830622
5.929868
5.294107
6.306345
8.357189
6.544145
5.467330
5.101596
7.058687
7.933714
8.391369
5.854183
5.195593
7.554796
8.380505
7.195654
8.682638
6.766564
8.943022
7.122410
8.180914
5.245521
7.323099
6.376659
6.809168
7.675649
8.848170
8.537492
5.346599
5.084750
5.955626
6.197333
6.802210
7.206275
6.774743
8.601459
8.226691
8.237800
8.137455
8.121342
5.642140
6.373974
5.894101
8.939482
7.963378
7.488266
5.410321
7.321024
5.785943
5.336467
5.115513
6.845546
6.917447
8.660665
7.984375
5.974303
8.525529
7.565294
5.820246
5.330241
5.777154
5.541795
7.220801
8.061403
6.847621
5.517747
6.096133
8.667501
6.168035
8.302744
5.617725
7.661122
5.793634
7.809198
6.471999
7.440657
8.761742
5.420698
6.293283
6.748619
6.318186
7.884274
7.151830
5.090854
6.885708
7.100925
5.971007
6.492141
8.648946
6.189276
8.749657
6.628025
7.893200
8.479034
7.575320
6.273278
8.952559
9.280450
8.899091
9.070116
8.087054
7.294183
9.090014
6.241905
8.537629
6.478118
5.777047
5.776803
5.426695
8.895428
6.825175
8.006607
9.183645
8.322413
8.740638
6.084674
6.899396
6.190756
5.694037
7.738289
6.486541
9.241874
9.036424
8.667150
6.518769
6.265831
7.179800
5.968337
8.624302
7.303095
5.723457
5.956862
7.310175
6.680151
5.694525
6.761330
6.090411
9.257866
7.782235
6.067705
6.794168
9.264458
8.438993
6.386319
8.928755
9.090014
7.723640
8.216941
5.971633
7.416990
6.761940
7.488525
7.468017
8.061785
6.699072
7.646245
5.807443
6.901227
7.019395
6.761940
8.555818
8.261620
7.109119
6.044145
7.215690
8.141987
8.934370
8.120380
7.293207
7.650029
8.713538
7.468139
6.543062
6.022416
7.455321
9.369930
6.269005
8.607334
8.240013
7.765877
6.553926
7.181509
6.116779
6.380581
6.294275
7.979995
6.494354
5.497742
6.914655
8.810099
5.897900
6.758522
8.636753
8.627598
6.968856
6.358242
6.177694
6.948225
5.581729
9.017014
8.754555
8.470000
5.952589
9.097949
7.266106
6.281945
5.615421
7.249382
5.531556
7.033677
6.140339
8.945601
6.457854
7.440428
7.468749
9.300226
6.011429
5.499329
5.741646
6.529511
5.870556
7.792123
8.493805
8.437651
5.631535
8.247948
7.091052
6.300501
5.445128
7.742439
8.284448
8.524689
7.957778
5.908155
8.756752
8.452422
6.431120
6.530244
6.535615
6.691748
7.918714
7.903333
9.150197
6.344569
6.369961
7.524659
8.402860
5.507996
6.540254
8.497833
5.635319
5.424131
5.580264
9.022263
9.361019
6.653661
9.180105
# Label of molecule (15)
0.849787
# Number of Instances of molecule (16)
3
10.375458
8.938657
9.594845
10.708481
12.440525
9.136140
11.439965
9.389216
10.351732
8.708625
8.593625
10.015114
9.460559
9.966040
12.454610
10.486713
11.756090
11.037880
11.548403
11.583716
11.767971
8.856512
11.018594
9.645781
9.744107
12.324702
10.418188
9.921014
11.053439
11.872803
12.423560
12.159153
11.994708
11.111316
11.557299
10.963364
10.077468
9.748456
9.124106
11.999456
10.008996
10.258385
12.469387
8.844388
9.194110
12.424013
11.384731
10.001934
11.693778
11.593194
12.350315
8.279497
9.749410
11.593247
9.308971
10.846753
8.308908
12.607749
9.795443
8.603665
10.236289
12.255578
10.639345
8.900060
10.655967
9.231915
10.439759
9.313647
10.305137
10.109235
11.937447
10.126420
9.751970
9.831542
8.521108
9.003936
10.584511
11.341638
8.616181
9.863206
11.595867
9.232997
9.662381
9.209520
9.416271
9.561403
12.173401
8.383397
11.282623
10.067526
11.242499
11.538134
12.272381
9.352293
12.102739
12.683932
11.701268
10.119017
11.318024
11.830268
9.010667
9.452365
8.772632
11.995152
11.717678
9.026942
8.836614
9.607783
11.790656
9.122600
10.809029
11.266831
9.040798
12.483293
9.210710
10.287573
11.712836
12.083104
12.173558
12.321890
10.047251
10.001267
8.640087
10.258959
9.110202
12.780165
11.388627
11.127958
9.273460
10.059228
11.821997
8.595483
10.315316
8.886327
9.559479
12.663383
10.883190
12.276160
10.462670
11.795952
11.701514
9.654189
10.453523
10.819961
8.640388
11.013429
10.008753
8.710029
11.553722
11.618841
10.092079
9.513563
8.246284
12.059380
8.582153
9.682304
9.115265
10.077637
11.743301
7.566846
7.162339
7.185974
8.102626
7.052329
6.869867
7.783624
8.627659
7.802561
8.254967
8.248497
4.904767
7.072558
6.871258
7.055712
6.188131
7.633244
5.717292
7.139698
8.059648
7.443785
5.184072
6.867962
8.098102
6.130024
4.998154
5.809580
5.648198
8.060015
6.720740
7.431333
5.019150
7.255181
8.364956
6.568636
6.988327
5.513062
7.004318
8.043413
7.483947
5.116443
7.248955
8.806986
8.323206
7.501648
7.463927
5.979629
6.879681
7.264824
5.604373
7.165944
5.555544
4.877789
8.543794
5.415525
7.933302
7.490661
6.767861
7.210501
6.482330
5.194571
6.312525
7.848460
8.695288
8.121418
7.817576
6.600864
6.528840
7.752876
8.572970
8.019120
8.024369
7.817576
5.432615
5.764046
7.983108
8.147298
6.470611
7.334040
8.571505
6.870281
5.253166
8.066240
6.730262
8.314417
5.604373
8.786966
7.264580
5.997696
6.738441
5.484375
6.487335
8.078692
8.634495
5.380978
5.293085
6.642613
7.527528
5.778207
8.536836
6.199606
5.392819
6.050554
5.591556
8.768166
7.297418
5.161977
4.961653
6.918744
6.492218
7.082690
5.824961
6.155538
7.123585
6.476592
7.379818
8.006546
8.435392
5.039659
6.872356
7.201102
8.338832
6.860759
7.177786
6.308618
6.224509
7.180471
8.811625
5.212271
6.892132
6.924116
7.245659
8.794046
5.470946
7.382748
6.403592
6.205344
7.209159
5.417844
5.211295
5.100208
6.004166
7.564516
8.076983
6.201804
7.550722
7.407529
8.175130
5.581912
4.981063
8.606418
6.411771
6.025407
8.872417
5.944105
6.943403
8.856426
7.495911
6.773232
8.124836
7.599185
7.184133
5.236564
5.763680
6.851238
8.689184
7.635929
7.553163
7.741768
5.409177
5.323481
7.559145
7.350887
7.997330
5.823679
9.102954
8.603427
7.020493
6.402310
7.419431
8.653356
8.771889
7.129261
7.876598
6.072344
5.407285
8.427152
9.095264
8.419095
7.340449
7.305292
7.909314
8.647618
8.433134
7.420530
7.162709
9.163747
5.366268
6.723121
8.372585
8.404569
8.065569
6.063433
9.134938
8.316797
8.055559
8.135151
7.148183
7.107898
5.619694
6.128254
6.727515
7.645878
6.640477
7.470214
5.687933
5.883007
5.992019
8.025407
6.468352
5.677313
8.365261
6.131916
5.372982
8.388089
7.394894
7.850108
7.806406
7.619022
5.969069
8.794717
7.372921
5.485656
6.590915
7.930067
8.721473
8.781411
6.671606
6.700537
8.004898
5.415220
7.627445
8.871502
6.833476
7.500244
8.656652
6.456633
5.593936
5.464049
6.070879
7.106311
8.012101
7.557985
9.056810
8.331446
6.831523
9.139943
8.741249
5.938917
6.485443
6.105548
7.437498
6.052080
8.635289
8.842814
8.945723
8.093402
8.450591
7.084582
8.782144
8.101215
7.508057
6.036210
9.214408
5.759713
7.181387
8.149068
5.975539
8.513337
8.398099
8.920087
7.533570
8.141621
5.639225
9.087329
5.789132
7.172231
9.057054
7.601444
7.080309
6.502411
6.582003
5.743477
6.364467
7.607913
7.900769
6.767434
5.457091
8.712561
6.172933
5.440245
6.198569
8.293115
7.367794
7.856578
7.426511
7.296136
7.090686
7.900037
8.627720
7.440062
8.779092
8.730384
9.144459
8.978195
7.138295
7.666631
5.811350
5.297906
6.696997
8.845866
5.895581
5.731025
7.352779
6.028031
6.217856
7.949355
6.785623
7.927015
7.327509
7.321772
7.614261
8.437529
5.607608
8.607212
7.168813
6.136921
8.184713
7.358394
# Label of molecule (16)
0.851205
# Number of Instances of molecule (17)
3
10.578621
9.016663
9.718002
10.659736
12.463859
8.936102
11.358655
9.243527
10.469117
8.722297
8.678609
10.093850
9.472072
9.817118
12.443833
10.759229
11.650353
10.972097
11.790359
11.740646
11.740922
8.976528
11.022179
9.534472
9.737617
12.194063
10.438287
10.088645
10.926535
11.796664
12.483276
11.981706
12.179912
11.295002
11.426392
10.732449
10.033324
9.736105
9.256922
11.907588
9.956643
10.217117
12.691770
8.801013
9.285782
12.468884
11.571626
9.919179
11.809908
11.589333
12.357205
8.294293
9.779919
11.527886
9.364927
10.824314
8.534573
12.548073
9.671604
8.633336
10.179218
12.260826
10.672293
8.715111
10.693795
9.426362
10.318189
9.260554
10.338811
10.065499
12.089622
10.284205
9.886077
9.971586
8.544997
8.817032
10.495349
11.223017
8.805692
9.868792
11.663691
9.456467
9.767785
9.332668
9.424677
9.708533
12.200617
8.506063
11.038751
10.084152
11.335124
11.577052
12.308041
9.193364
11.949591
12.643429
11.620106
10.301498
11.303946
11.839193
9.076579
9.480274
8.813864
11.958504
11.522297
9.253867
8.791594
9.621230
11.789612
9.305271
10.777075
11.073970
9.096579
12.333381
9.278913
10.120539
11.652345
11.732220
12.398317
12.809407
10.153624
10.120388
8.904737
10.448939
9.054335
12.493296
10.912959
11.027160
9.390392
10.184374
11.522737
8.795393
10.322936
8.685643
9.225685
12.534873
11.106418
12.764434
10.082257
11.880654
11.216025
9.204527
10.271984
10.260667
7.886223
9.487164
8.097727
8.328736
9.513633
10.850287
8.435884
9.515191
7.803001
12.131544
8.116679
10.639461
9.249843
9.539768
9.640664
7.016438
8.968836
7.962821
7.061520
7.542845
9.036823
9.025517
8.526505
8.953642
6.306589
6.312449
9.187536
8.970855
8.491348
5.439009
9.237587
7.062716
7.618885
8.858058
8.135868
7.444197
8.318857
8.802149
9.051912
5.955382
7.536485
8.224860
7.394513
6.952361
5.807428
7.013520
8.426160
6.563799
8.556169
8.758934
9.338786
6.190985
7.792352
6.953825
7.165746
6.124332
8.581805
7.496689
7.904050
7.152196
6.664632
6.374340
6.222724
6.037172
5.597461
7.400128
7.132542
8.733909
7.793939
6.881191
6.991424
7.225074
7.838496
6.090762
9.220618
7.848872
6.449171
6.419874
8.106449
8.993561
5.463179
8.084231
8.064577
8.034669
6.221381
7.259743
7.738395
7.389386
7.725822
8.524430
8.309214
7.562609
6.945402
7.478133
7.391949
9.060701
5.646779
8.418348
5.892880
7.047212
6.121281
7.944945
9.201819
8.615986
8.186529
9.369915
6.095889
8.555925
5.836482
6.806726
6.730064
5.483444
7.915281
7.814570
7.086642
6.217719
9.188025
5.471603
9.262978
8.271004
8.186773
8.754051
8.968291
8.333628
6.203803
6.093204
7.607532
6.624348
7.808954
6.989715
8.325938
6.984588
9.264931
8.554827
9.388958
6.587848
7.216285
7.858150
6.273751
7.142552
6.027039
6.954436
7.846919
5.462569
8.141606
7.464949
6.001526
7.278420
5.843318
5.588672
8.132817
6.166814
6.788049
8.418714
7.821650
7.472152
7.684805
6.437330
7.106662
7.094699
8.500626
7.066378
5.715629
9.021882
5.563402
8.147465
6.633747
7.475692
7.938597
8.226569
9.381878
5.553392
7.453597
8.518204
8.381603
8.234382
6.746788
7.424665
7.781121
5.629688
7.713736
6.484817
6.116642
8.349254
8.727927
8.627216
6.185003
6.860073
6.821451
8.032304
7.833689
4.795022
8.041337
4.828837
5.050645
8.353969
8.712256
6.809244
5.058702
5.340449
5.742683
4.927229
8.243248
7.347957
5.953627
6.297143
8.029862
8.278283
6.091571
6.879437
8.020341
5.228629
5.677740
7.285455
6.899091
6.682165
8.068316
7.573916
5.489990
6.878460
7.099902
6.914106
8.335780
7.238823
6.697424
7.992386
6.175924
7.721625
6.815958
8.034013
7.698431
4.981552
7.095019
8.319422
6.939253
8.209677
5.598636
8.065508
6.706091
5.526002
8.015336
6.551302
8.399991
7.805124
8.695288
7.358455
8.610691
6.803140
6.897626
8.606052
4.859722
6.466338
7.623966
5.051012
6.868572
8.294275
6.412992
5.932142
7.722968
5.631474
7.470641
6.429594
7.312799
7.765572
6.511383
8.618503
6.418973
8.703223
7.685980
5.787729
7.824534
5.502197
5.968764
6.003067
6.823893
5.032579
8.382534
4.785501
7.505432
8.042802
5.432981
6.783120
7.182669
5.404416
6.130757
6.309351
5.348872
7.413633
7.972121
6.624058
7.530457
5.020249
7.257378
7.831248
8.412687
7.863109
5.119739
7.268975
8.615085
5.983901
6.640416
6.267479
5.489746
8.096515
8.423429
7.147755
8.318445
7.285455
8.007767
6.339015
6.281762
7.009690
6.490020
7.486999
7.578799
6.285424
5.732795
8.430265
6.068987
4.923933
7.533998
5.918714
5.812265
7.699286
8.132160
7.948561
7.883740
8.320276
7.423154
5.590213
5.835093
8.082110
6.261864
6.183493
6.181417
6.073504
7.226127
7.773629
8.284997
7.812449
8.214927
8.666478
8.012772
5.187246
8.259117
7.974319
7.543397
6.577059
6.917402
7.029832
7.695746
6.027482
8.632908
7.541566
# Label of molecule (17)
0.821650
# Number of Instances of molecule (18)
3
10.386316
9.004268
9.733969
10.720732
12.604512
9.145435
11.416323
9.174200
10.324452
8.655019
8.732116
10.053425
9.558297
9.737736
12.588520
10.587469
11.664853
10.984988
11.786313
11.557852
11.996901
8.902153
11.017310
9.575250
9.712989
12.425247
10.694459
10.060320
10.896439
11.731837
12.199024
11.990794
11.915015
11.173184
11.583530
10.874829
10.028856
9.837960
9.239061
11.997081
9.953706
10.160390
12.491607
8.846689
9.238609
12.622764
11.475304
9.968946
11.616665
11.612072
12.582741
8.313439
9.506811
11.478891
9.399247
10.839566
8.522185
12.514313
9.546206
8.527844
10.095656
12.415877
10.613648
8.859797
10.835683
9.339379
10.380918
9.188081
10.417952
10.069644
12.103355
10.053199
9.924329
10.077612
8.550723
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11.162412
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11.648083
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9.288558
9.554398
9.539855
12.252602
8.495037
11.182780
10.038822
11.124196
11.448930
12.473534
9.250858
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10.029223
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11.902935
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9.677579
11.438180
8.979709
10.755675
11.164391
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12.497981
9.367199
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11.224727
11.752178
11.948478
12.754862
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10.259438
9.000507
10.454789
9.144921
12.302226
11.015196
11.055750
9.320332
10.309710
11.488176
8.344327
10.463509
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9.516509
12.205059
10.648427
12.312835
10.306665
11.960160
11.778295
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10.503933
7.699947
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6.880337
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6.269356
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5.241615
8.854274
6.111881
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5.091464
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7.206397
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6.441725
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7.628895
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6.474197
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5.475753
6.063173
6.107242
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8.895779
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6.490310
8.779077
5.915220
8.504532
8.250008
7.456893
7.519639
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9.294473
8.197150
7.718009
6.806726
9.156285
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7.727165
5.845515
7.003754
6.066103
5.635914
7.305643
8.041139
8.720237
6.144963
7.806391
5.931455
8.720237
8.767113
7.466292
7.618763
7.123997
7.864132
9.144688
8.923002
5.808893
7.894284
7.675283
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5.779962
7.246193
6.967620
8.028687
7.532701
6.032533
8.850124
6.535600
8.345347
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7.530259
6.675130
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5.547899
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8.083377
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7.337382
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6.342845
6.576128
9.336100
8.637593
5.788873
8.290292
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6.692099
7.626453
7.100314
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5.987243
7.686636
7.519639
7.326518
6.986419
8.115482
6.492264
# Label of molecule (18)
0.823168
# Number of Instances of molecule (19)
5
10.510877
9.159645
9.468017
10.686851
12.558202
9.099429
11.343677
9.387302
10.579122
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5.767327
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7.873592
5.762688
7.126133
6.907743
6.283822
6.668966
6.002564
6.271004
8.394360
8.999481
6.075564
6.568133
5.167943
6.912259
8.043886
7.656301
5.888424
5.317484
7.857967
7.792535
8.262398
6.357799
# Label of molecule (19)
0.870948
# Number of Instances of molecule (20)
4
10.392773
8.946524
9.722954
10.472950
12.491063
8.948176
11.235959
9.362099
10.300205
8.799849
8.626736
9.940427
9.494675
9.861217
12.455868
10.723776
11.488515
11.206273
11.479098
11.771265
11.924375
9.032531
11.099025
9.666894
9.833167
12.429551
10.458831
9.979149
11.040936
11.553315
12.482240
11.926880
12.092817
11.196589
11.684015
10.735529
9.823534
9.811729
9.211909
11.945271
10.035739
10.431850
12.806631
8.628197
9.240006
12.499451
11.221418
9.799892
11.611083
11.396569
12.492952
8.230745
9.389854
11.513959
9.111675
10.486488
8.517013
12.668385
9.616570
8.724083
10.399274
12.252323
10.740979
8.530687
10.544223
9.447919
10.213146
9.346339
10.584127
10.277673
12.217620
10.202026
9.519411
9.855391
8.471679
9.026813
10.338467
11.326797
8.664825
9.745158
11.904687
9.372738
9.673392
9.314564
9.441283
9.468626
12.256620
8.184808
11.356587
9.909145
11.272118
11.526799
12.212044
9.332102
11.652912
12.204996
11.519582
9.946191
11.091463
12.080664
8.813012
9.137441
8.702406
11.753696
11.523290
9.225313
8.946017
9.539410
12.015751
9.122992
10.747768
11.473822
8.832645
12.605355
9.387409
9.843717
11.808135
12.121009
12.334836
12.209653
10.224203
10.327351
8.548697
10.181937
9.484198
12.768428
11.242465
10.787074
9.445866
10.006240
11.589005
8.342382
10.254244
8.851517
9.183981
12.673352
10.843722
12.826325
10.100404
9.021890
10.451887
9.637055
7.840777
9.702877
6.854116
10.560463
8.232781
7.167156
10.684000
8.797244
8.911237
10.630500
6.738238
11.558472
9.376152
11.187230
10.030474
11.253597
11.714737
6.932116
7.013292
8.656714
8.293196
7.676001
9.079368
9.232917
8.658712
6.377148
8.508683
4.953154
6.926115
8.435560
7.216163
5.889828
6.484939
7.375591
5.293130
7.027802
6.390088
8.416395
7.029267
5.502609
5.175451
7.223487
7.402326
6.380932
4.958403
5.602832
5.851741
6.162175
6.349925
4.903958
6.543657
7.928343
5.043489
6.510208
7.002777
8.517350
6.959563
6.788781
6.987152
8.094852
4.818751
7.877804
7.480331
6.499588
5.021149
7.683950
7.674184
4.736595
7.703482
6.465651
5.821100
7.995117
4.852321
5.377972
7.826655
8.563005
7.346782
6.352245
5.459883
5.016388
5.805109
8.688131
8.056764
8.057741
8.112186
7.730338
5.588794
5.374798
6.500443
7.007172
6.976165
7.901852
5.061800
5.204505
7.516343
5.851131
8.563005
5.350627
5.305460
4.894681
7.441267
7.587756
8.527360
6.868740
7.854854
4.903348
5.483444
5.376385
5.663015
7.198584
7.241920
8.664937
5.210608
5.066439
6.776696
8.149541
5.792169
6.657430
8.475356
4.962554
8.671285
7.004364
7.888546
4.900418
7.529283
7.184301
7.596789
6.142766
7.218726
6.691366
5.068880
6.122135
5.696097
6.394848
6.388867
7.915647
8.010132
5.458907
5.723441
8.535539
7.218970
5.597705
8.407727
5.493088
5.112339
6.042055
5.522874
8.011353
7.613880
6.591388
5.841121
5.260292
7.736564
6.126774
5.012482
5.992126
6.970183
5.960631
5.869076
5.947813
7.971801
5.396405
5.721366
5.413984
5.435835
6.874233
8.522355
5.302774
8.020386
6.078677
5.772149
8.129032
6.200873
8.380993
8.042238
8.261971
6.931364
6.992889
6.989715
5.825861
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8.206915
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6.835902
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7.052217
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7.239219
6.602847
6.848582
9.211447
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7.438200
9.328639
8.378536
8.462279
7.813456
6.815134
5.671422
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6.454283
6.858592
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6.851512
6.060472
7.662206
8.973769
8.786630
7.244224
8.803964
6.754830
8.324335
8.382321
8.152089
8.348872
7.496918
9.230979
6.280938
5.557161
8.272210
6.006516
9.140400
9.247337
7.087359
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8.945326
8.626347
9.064592
6.764962
7.434172
8.540651
6.778512
7.045976
9.367580
7.172079
6.456847
5.837931
8.145009
6.508118
6.481994
5.934858
7.414518
5.960860
7.075518
7.552583
8.547975
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8.034776
5.998703
7.859355
6.736885
9.401517
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5.440825
6.152272
7.933332
6.808664
5.489776
9.144551
8.255486
7.224082
6.003952
6.972732
5.568148
7.636570
5.718421
9.149678
6.781808
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6.159474
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6.958449
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8.691534
6.961867
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8.430296
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8.717536
8.898816
8.456420
5.452910
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9.129902
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6.282281
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6.364559
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5.700354
6.710883
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6.694159
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6.766671
6.627873
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9.296533
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6.560121
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6.084643
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7.865581
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9.344630
6.748482
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4.914823
6.866176
5.143223
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5.447310
6.020569
6.486770
5.441572
8.668477
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6.397290
4.901273
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5.479049
6.921842
8.001099
5.618336
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6.585162
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7.657704
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8.612690
5.611988
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7.454085
7.831904
8.196295
6.378002
6.648640
5.129307
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7.102268
6.151433
8.336680
7.988159
7.563341
7.568957
8.420911
4.916898
8.679342
5.396893
5.856258
7.302225
8.229011
8.599872
8.048708
7.365703
5.257729
7.089206
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6.109439
7.100681
7.474593
5.921201
4.969756
6.897183
8.464125
6.165716
8.557634
5.473922
8.287240
6.529008
5.858211
5.468917
6.517045
6.619587
7.268899
7.573351
8.664937
6.677938
8.845363
8.765770
7.924436
6.885098
5.136265
8.412488
8.438734
8.724754
5.977233
6.111270
8.465712
5.275674
6.621052
5.152135
7.817011
5.310099
6.579058
5.469283
5.945250
6.069033
6.548662
7.961303
7.055635
7.594592
6.801355
6.052919
6.614338
7.491195
8.406751
6.374950
7.631458
4.991363
8.667501
6.434523
5.092441
5.201575
8.140751
7.154637
6.912809
8.402234
8.620014
8.154302
5.790216
7.277322
7.452254
7.646962
6.332347
4.950102
7.567858
6.830287
5.830256
8.697043
8.594501
8.643696
5.058260
8.215705
6.433302
6.767541
7.469710
5.325480
6.670125
6.740440
7.167089
7.969604
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7.067598
8.021485
7.398541
7.427839
6.196844
6.314035
7.408185
7.452864
7.237403
7.276833
8.506729
6.558916
# Label of molecule (20)
0.755381
# Number of Instances of molecule (21)
4
10.391190
8.920034
9.493126
10.669308
12.463804
8.909627
11.188247
9.370358
10.294791
8.900178
8.504685
10.080946
9.482685
9.989056
12.635742
10.751373
11.647477
11.014454
11.689816
11.685086
11.827110
9.038678
11.135341
9.630131
9.842755
12.277060
10.490241
10.110934
10.892764
11.730329
12.454109
12.159462
12.228988
11.207923
11.464143
10.956408
10.075159
9.943889
9.260755
11.795201
9.955460
10.234802
12.519215
8.742414
9.210143
12.321713
11.355977
10.063209
11.550060
11.655402
12.413568
8.281011
9.705583
11.702557
9.314012
10.993243
8.415221
12.333192
9.518002
8.546393
10.235707
11.983555
10.917257
8.537301
10.413640
9.114940
10.386423
9.137117
10.135350
9.812879
12.345721
9.994514
9.486832
9.871368
8.172962
8.823954
10.714485
11.567491
8.779597
9.778095
11.783631
9.305485
9.812200
9.293982
9.533694
9.573913
12.149788
8.100951
11.324475
9.882018
11.244794
11.102071
12.533750
9.008931
12.135595
12.245836
11.777015
9.822758
11.116853
11.881823
9.032672
9.411721
8.550221
12.039797
11.413362
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8.923870
9.569417
11.460575
9.449079
10.805861
11.610576
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12.624467
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10.004865
11.711591
12.174605
11.915208
12.683206
10.076237
10.145049
8.850196
10.265322
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12.654171
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10.453019
11.622025
8.338593
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9.192985
12.508196
11.097742
12.616815
10.550157
11.994099
11.704661
9.658423
10.440085
10.441191
7.274396
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6.529901
11.671764
10.687406
8.330439
11.522666
7.951272
9.812696
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10.298679
7.196551
5.736369
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8.838038
6.121891
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8.105350
5.740043
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5.493332
6.929899
7.843623
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6.613483
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5.300821
8.865261
8.234504
7.688955
9.209021
7.060884
7.472152
7.258889
7.738762
5.410688
6.840297
6.051332
8.698996
6.569658
6.519120
7.441877
7.520127
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8.649312
6.131901
9.023225
6.966399
5.830866
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8.619160
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5.741386
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5.811823
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7.743278
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8.881130
7.456771
5.360515
6.018983
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6.497513
6.739708
9.005768
6.140202
5.273476
8.982208
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5.605518
5.350627
7.804193
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6.512650
8.629170
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8.898221
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6.586138
8.323862
5.963805
6.318308
7.756096
6.525468
7.387066
8.611957
8.389294
9.051668
8.216681
6.832728
6.779260
7.680166
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7.593493
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7.179052
8.624897
5.624683
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6.715781
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6.946867
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5.966247
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6.856410
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7.308695
7.885006
6.112735
6.357494
7.388165
7.032197
9.155309
8.007324
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8.011475
6.464797
6.720298
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6.154851
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6.044008
8.903348
8.089236
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6.202033
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8.877529
7.061556
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5.321268
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8.012757
4.949309
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5.972900
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6.163579
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8.250435
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6.173101
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8.503739
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6.506363
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8.420118
6.073977
7.412885
5.054292
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5.280251
7.734428
6.976226
8.269356
8.324412
6.332530
8.066469
7.471969
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7.949034
6.686911
8.251411
7.525559
5.695547
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6.542863
5.894406
7.320719
8.716269
8.756310
6.469619
5.375103
5.617664
8.905972
7.568285
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6.185064
6.230354
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5.790277
6.689108
7.834895
7.566576
8.723228
8.224189
5.847407
6.695334
6.808618
7.643849
8.270089
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8.450026
6.612934
6.546648
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6.668111
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7.647389
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8.711386
8.395459
8.324656
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6.002930
5.451643
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4.923917
5.441877
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8.392590
5.821100
8.433729
6.404859
5.681570
6.494827
8.701071
6.753258
4.948881
8.244270
7.452254
7.254372
8.494156
5.711234
4.992340
8.530045
5.158238
5.149815
8.353404
7.137181
7.341411
8.538957
7.838496
6.160955
7.917356
6.624592
6.902799
7.425398
5.423505
5.767510
8.744163
5.195593
7.897702
7.469588
4.980621
7.248512
7.739128
5.455489
5.789361
7.183447
5.967589
7.184301
8.879421
5.852596
6.256539
8.664937
6.677450
5.782159
5.113926
5.451827
5.099155
8.460341
6.586871
8.695578
5.280679
6.368358
7.864498
5.122349
5.646168
7.629017
8.154790
5.819269
7.687613
5.145787
7.208960
6.698080
6.828455
8.111332
5.870540
5.514695
7.750237
7.755730
7.021577
6.317576
5.553270
7.214087
5.302774
8.201300
8.130253
7.385235
7.982788
5.239540
5.123814
6.657674
7.349345
6.473586
6.846767
6.377636
7.000824
6.828333
6.536454
7.935179
6.409497
5.835994
5.322184
5.340983
6.133976
5.037019
5.276772
7.172216
6.055727
4.937040
5.929991
7.758415
7.012421
8.393078
5.617481
5.486129
8.206305
7.303690
7.041108
8.096194
6.759850
7.481185
8.414686
6.845424
7.795892
8.575335
7.570788
7.414411
7.415265
5.929258
8.404431
7.428816
# Label of molecule (21)
0.788714
# Number of Instances of molecule (22)
3
10.389684
9.024470
9.608713
10.756546
12.288595
9.021555
11.349025
9.234169
10.472813
8.773749
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12.683402
10.483926
11.655969
10.942581
11.707168
11.568350
11.783029
8.946807
11.033292
9.712197
9.801240
12.412100
10.493818
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10.910625
11.882899
12.232445
12.203776
12.226322
11.303662
11.539626
10.721972
10.034292
9.854873
9.100312
12.042101
10.106188
10.261924
12.582879
8.770881
9.196695
12.579426
11.365667
9.900012
11.830653
11.367751
12.647888
8.226536
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11.635868
9.557116
10.697418
8.125117
12.156968
9.525022
8.686118
10.332172
12.069173
10.500257
8.986797
10.898457
9.398791
10.659043
9.395786
10.212877
9.765055
11.997906
10.237550
9.708612
10.133619
8.392457
8.720788
10.425539
11.180164
8.897533
9.788426
11.660441
9.100535
9.885322
9.288304
9.550307
9.595370
12.442632
8.531880
11.038143
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10.896995
11.103670
12.130925
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11.856583
12.804354
11.340923
10.354471
10.864908
11.711547
8.942841
7.441533
6.801782
11.526190
9.722594
9.010343
8.553613
8.441339
9.247396
7.983172
10.424033
11.475769
6.602769
10.197375
9.583037
9.509443
9.749084
10.654200
9.038513
9.366242
9.464942
9.016329
6.447698
9.397996
6.877632
11.698323
10.743106
10.159999
7.391435
9.321587
10.953829
7.910265
9.044305
8.894768
9.530120
12.226565
10.732771
11.233064
7.938827
11.105437
11.839822
7.180986
9.821987
9.303667
8.174692
8.391357
7.268834
8.608728
9.412002
9.631834
8.292009
11.586057
8.059160
10.057164
8.401797
9.440677
8.668474
9.833033
11.068043
9.239350
8.304928
6.371457
7.499437
7.586560
9.220060
6.547678
8.095904
6.259667
6.729774
6.392117
6.652867
5.879650
6.029435
6.943037
8.160482
8.374233
8.805399
5.188223
8.433073
8.342860
5.455687
5.301019
7.997147
4.871441
6.423978
7.836619
8.238731
7.908277
6.482452
5.011093
8.044145
6.288476
8.697363
5.066759
6.806681
5.783334
4.947493
5.097034
5.676885
7.546327
7.873363
5.708258
4.928205
7.333430
7.129810
6.892621
5.317133
5.871960
4.820048
6.486114
7.308039
6.752968
6.983200
8.588473
8.042436
8.221030
6.011246
7.318293
5.923597
5.238395
6.871746
5.279168
8.695288
8.198202
8.009476
8.112506
6.885174
6.659215
5.802988
6.509919
8.493011
8.480804
5.451048
7.063280
8.794168
6.730140
7.163259
7.323664
7.136402
8.739113
6.530793
8.448454
8.603244
7.683050
5.951552
8.807352
6.419828
7.059374
7.985672
7.926099
6.975875
6.438749
7.514100
8.139607
5.340449
6.865154
5.579348
7.331965
5.144887
8.279015
5.778451
6.137104
6.706946
5.339106
8.087359
6.975509
5.272576
6.018082
4.988388
8.301721
7.249809
7.345393
6.780068
7.437437
6.309839
8.675024
4.937849
7.366878
7.230155
4.850688
8.408536
4.866070
7.355159
7.645207
5.705451
7.345271
7.549013
5.847056
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7.774972
6.514801
8.372402
7.888745
5.075060
6.357204
8.773171
7.280938
7.338679
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8.338832
5.266961
7.164480
6.436064
5.285760
5.190542
8.294031
7.645940
7.394467
5.051134
6.448637
7.433897
6.216330
6.719520
4.896588
5.368282
7.616764
8.024247
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7.076708
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7.866405
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5.501053
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6.825312
6.541734
6.427229
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8.558885
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6.449812
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7.359508
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7.859890
7.032350
7.422742
5.324046
8.722831
6.122532
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8.544115
8.363445
7.424574
6.021455
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6.411847
8.064241
6.724357
5.798425
4.981140
6.843867
6.083590
6.911374
7.718039
4.973815
6.670766
5.714560
6.782342
7.140263
5.135563
8.896420
6.632069
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4.957701
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