283	# Number of Dimensions
200	# Number of Examples
5	# Number of Instances of molecule (0)
10.597260
9.096312
9.686261
10.688970
12.522619
9.078566
11.433348
9.321319
10.512459
8.869815
8.688699
10.045784
9.546868
9.950010
12.681654
10.692763
11.714979
11.185854
11.721481
11.779595
11.969246
8.990650
11.092654
9.713083
9.856133
12.387561
10.623405
10.096989
11.009614
11.802624
12.451229
12.177726
12.162689
11.310346
11.682738
10.899211
10.044023
9.894876
9.205090
11.986856
10.162419
10.373744
12.662689
8.877537
9.260089
12.570709
11.589809
10.131939
11.779053
11.680435
12.563529
8.440934
9.731099
11.676236
9.394876
10.933212
8.508938
12.560007
9.732860
8.579786
10.277699
12.377943
10.856404
8.843806
10.845431
9.435109
10.517336
9.367106
10.433483
10.118799
12.191408
10.211457
9.906391
10.011782
8.507854
9.029122
10.634919
11.408287
8.747220
10.095499
11.749387
9.403004
9.837981
9.337168
9.638442
9.668108
12.254399
8.479000
11.206580
10.085610
11.318203
11.568135
12.478999
9.351799
12.038197
12.609587
11.772551
10.231641
11.308449
11.908964
9.020994
9.558653
8.916957
12.152258
11.646298
9.239498
8.937548
9.623947
11.879839
9.288130
10.815765
11.492681
9.193169
12.709966
9.426169
10.227713
11.668785
12.137764
12.288129
12.657812
10.071387
10.234757
8.880653
10.347870
9.371983
12.693169
11.214031
10.998371
9.390000
10.335407
11.822809
8.666077
10.430910
8.993630
9.407068
12.510969
11.041855
12.702651
10.434838
11.866022
11.619612
10.006228
10.446488
10.655104
8.751690
10.953938
9.857352
8.952584
11.776480
11.472226
9.512253
8.737571
9.200354
8.216681
8.576067
8.041749
11.539415
11.832148
10.503616
11.822504
10.524125
8.156499
9.405194
8.585345
8.424085
8.789697
8.335704
8.107303
11.782952
11.678579
11.631947
11.462508
8.595721
8.687155
8.272835
10.604083
10.947478
8.409680
8.640034
8.375866
8.486831
8.098514
11.049287
11.827876
8.111576
10.586383
8.432142
9.711722
9.238929
8.074343
11.541246
11.031465
10.038148
8.663106
11.051729
11.523423
9.998230
11.500595
10.939177
8.940092
8.206427
10.421949
11.503891
10.016053
10.713584
11.957640
10.419141
9.985412
10.358959
11.582018
8.178472
11.531480
8.432875
10.080508
10.315378
8.039674
9.548265
9.908506
8.771752
10.031556
11.100070
9.417524
10.791101
11.651234
10.683798
10.823084
9.707572
8.083621
8.851833
11.790399
10.011292
8.777001
10.578936
8.511856
9.059725
9.344157
10.814783
8.152470
11.814447
11.019013
11.497421
10.535966
8.974151
10.543168
11.401959
8.949492
10.883877
9.356853
8.200812
9.940001
11.589953
8.969146
10.110050
9.977844
11.420270
9.383587
8.495376
8.862087
8.461928
9.452803
8.815943
9.744316
11.313211
10.038881
11.278054
9.642872
11.482528
10.852016
10.574175
10.325755
11.812983
9.844417
10.084414
9.434980
9.303140
8.035157
11.912839
9.728202
8.702902
8.637471
10.134831
10.312693
9.256630
9.367229
8.631245
9.746269
8.970611
8.805811
10.881924
8.880642
8.778466
9.692557
11.096896
11.322245
8.980255
8.021607
10.056825
9.383953
8.329478
10.819788
9.041414
9.405927
10.144475
11.476547
9.216590
8.317026
9.817072
9.506516
9.858821
11.314188
8.095828
11.615223
8.790551
10.533403
8.517106
8.943632
10.400952
10.589190
11.359355
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8.627705
8.854396
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10.275216
8.359020
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10.043275
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11.533677
8.402844
10.641560
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10.913419
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11.365703
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9.542161
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10.508744
10.479568
9.761040
8.898099
8.983428
9.983947
10.491531
8.291025
8.531388
8.247688
10.878384
11.403668
11.891964
10.633992
11.829218
9.404096
10.307443
10.565020
11.828852
11.708487
9.740287
10.349193
11.402203
9.631520
9.174230
11.377178
10.599322
11.593982
10.378491
9.557543
9.879940
8.758202
8.505875
9.872005
10.771569
11.969848
10.904019
11.921140
10.675008
10.877407
9.509934
8.338145
8.194586
8.108280
10.208686
11.945067
9.365764
11.374126
8.524308
9.524705
11.156713
8.379162
11.025727
10.087100
8.617939
11.411115
11.814447
9.500534
10.056459
8.483657
11.476547
11.367290
10.606525
11.911740
11.869137
10.013977
8.575457
9.188635
10.117496
11.476913
10.937590
11.045259
9.199011
10.351756
8.350108
9.561571
8.487075
10.387890
10.070254
9.210608
11.632191
10.698325
11.142796
11.704581
11.152562
9.462447
10.238594
9.521653
11.111667
10.995819
10.514603
8.988433
11.256569
8.062258
9.873470
9.790460
9.991760
9.302896
8.996490
9.788018
9.564623
11.657949
11.524400
10.012391
8.835719
11.654530
8.761864
8.715476
11.011567
11.438337
11.281228
11.350322
11.711905
9.420698
11.798090
9.355144
10.748619
11.419782
9.696585
10.618732
8.990875
8.166509
9.577929
10.498245
9.690115
11.055757
8.207038
10.268746
9.642506
8.011231
10.232490
11.876461
11.560533
11.346294
11.055513
11.871822
11.032563
11.487899
11.221900
11.397076
9.441084
8.446791
8.712668
9.104282
10.219550
10.901944
9.508103
9.877132
9.817072
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10.799646
8.232307
8.751854
11.191626
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11.277322
10.124210
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8.508683
8.095340
10.964812
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10.856777
10.437086
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10.526078
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10.151189
9.817682
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9.335856
8.146611
9.306314
11.013031
8.430189
9.085849
11.329691
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11.217750
8.355480
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8.351207
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8.070437
8.077517
11.254860
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10.510086
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9.680227
10.601032
8.948881
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11.519883
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11.121921
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10.220405
10.996796
10.236396
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11.084078
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10.518387
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11.634999
11.361309
8.969268
10.603229
9.060213
9.700980
8.863430
1.000000	# Label of molecule (0)
3	# Number of Instances of molecule (1)
10.403129
8.904473
9.561384
10.497396
12.426418
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11.490331
9.340254
10.494056
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10.066353
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10.143832
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10.546709
0.913526	# Label of molecule (1)
4	# Number of Instances of molecule (2)
10.467697
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4.711534
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0.914299	# Label of molecule (2)
5	# Number of Instances of molecule (3)
10.518782
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9.744194
0.888422	# Label of molecule (3)
5	# Number of Instances of molecule (4)
10.530093
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9.486496
10.901822
8.839137
11.339457
9.322184
9.182287
11.031709
10.654744
9.336711
10.823939
11.055757
10.835658
8.500137
8.221076
8.748070
11.268532
8.688375
9.035188
10.245430
10.102115
8.249031
11.129856
11.154515
8.179327
11.747795
9.090976
10.591632
9.491623
8.767235
11.710318
11.963134
8.531877
8.638569
11.801752
8.362926
8.921049
11.975097
11.731071
8.463637
11.683218
9.886654
10.030335
8.772851
9.543382
11.749504
8.473525
8.133183
9.624805
8.403699
8.988678
10.339183
8.918851
11.658193
11.779534
10.745201
8.903958
8.972198
8.034791
8.742943
9.687674
10.194403
0.880300	# Label of molecule (4)
4	# Number of Instances of molecule (5)
10.510057
9.075881
9.460992
10.749022
12.451769
9.038072
11.426207
9.206342
10.549086
8.925436
8.488185
10.097741
9.476744
9.744545
12.418580
10.711307
11.714852
11.095751
11.529923
11.664850
11.787408
8.894370
10.868129
9.740175
9.818799
12.470221
10.540474
9.923630
11.012544
11.713662
12.417405
12.126394
12.017127
11.144813
11.615728
10.902671
9.958842
9.901888
8.988231
11.946091
10.025781
10.288342
12.710667
8.727412
9.202263
12.578501
11.613808
9.963253
11.688690
11.698795
12.585371
8.257997
9.580045
11.626103
9.212388
10.945455
8.528680
12.626982
9.517954
8.473972
10.258364
12.353110
10.787130
8.823878
10.744016
9.478643
10.528040
9.365939
10.310562
10.053908
12.032975
10.191518
9.790969
10.058634
8.483211
9.050171
10.446559
11.414589
8.784494
9.864056
11.493374
9.292523
9.618116
9.278977
9.451072
9.470738
12.077545
8.312068
10.972162
9.871280
11.084957
11.569711
12.477396
9.285208
12.005690
12.378063
11.584622
10.082513
11.199216
11.929835
9.079911
9.554444
8.766500
12.075455
11.543661
9.114667
8.902108
9.525173
11.855447
9.205841
10.883241
11.270607
9.237326
12.785075
9.460275
10.152950
11.430590
11.907544
12.232830
12.720211
9.953643
10.016941
8.846457
10.204831
9.100010
12.410286
11.314282
10.726765
9.238982
10.071451
11.920724
8.500669
10.570547
9.151244
9.295507
12.160806
10.804929
12.259948
10.435717
11.523537
11.398875
9.607946
10.611519
10.466630
8.489295
10.907441
9.475525
8.649679
11.388185
11.410682
7.893278
8.378763
7.210247
8.247345
7.181942
9.314314
10.045059
8.313620
6.445247
8.873083
6.010793
7.999353
4.649724
7.970544
8.731277
10.489150
6.006196
9.036582
7.770095
11.085170
8.336815
9.388405
10.496072
6.946734
9.434660
8.956034
7.624079
7.844673
7.813347
6.034636
7.468741
7.113105
6.862284
7.541024
11.539188
5.741077
7.435483
6.116636
8.157763
10.557111
10.714885
7.406692
6.873407
9.207973
12.183582
9.632075
4.709861
10.099006
8.451072
7.633100
11.308885
9.317474
9.824012
11.759473
9.945029
8.153739
9.678060
6.890439
6.219356
11.174071
8.565098
5.264531
8.676187
7.891774
7.386418
11.212729
8.999019
8.613527
6.463560
9.854552
8.507354
10.127681
11.320258
9.004522
8.827017
7.551673
6.317460
10.520560
7.678133
10.000021
5.794002
6.569944
10.471087
6.014578
9.076307
11.036793
7.658753
11.206813
7.654359
9.653449
9.929861
10.293901
11.148076
6.929226
5.845304
7.331151
6.530146
5.987538
10.263248
6.331930
6.610169
9.602598
6.403637
4.285988
8.569924
8.417230
9.229509
3.934373
7.509966
6.950282
9.483817
6.419280
10.736221
5.514288
6.895301
10.898820
7.657247
11.096694
7.542626
6.428950
5.588767
8.277239
8.188393
8.184832
10.852271
9.978512
9.253008
7.623780
11.620168
8.760460
8.305124
7.369455
7.013534
11.313456
10.544267
11.305887
11.201025
11.588244
8.318613
10.903531
11.465560
9.624195
11.766961
9.054720
8.342662
10.487991
8.879543
11.502182
10.529008
8.751610
10.623981
8.722434
11.704581
10.065493
11.517563
10.713340
9.524461
11.502426
8.507218
8.990509
10.602863
11.051973
9.026643
11.172216
11.363750
10.637410
9.109287
11.522446
10.634602
11.031465
8.431043
10.832118
11.856563
11.044527
11.157201
9.010163
10.786950
9.362957
11.469344
11.760857
10.569658
9.409467
8.646748
10.721763
8.046510
9.602466
10.578570
10.437941
9.186926
11.388653
10.577837
9.547411
9.508957
11.424421
8.379040
9.551561
9.368206
10.280221
8.187506
10.547319
11.988281
8.043580
8.658956
11.295022
10.108707
11.196387
9.685232
8.997345
9.125523
9.137852
10.857753
8.163945
8.598285
8.735130
10.487136
9.937071
9.999451
9.268593
8.051271
11.253273
8.581317
10.152409
10.949919
9.215735
9.234901
9.803644
8.436171
8.053468
8.215705
8.033570
9.605884
8.039796
8.612445
10.338939
8.313974
9.748466
11.432234
10.465529
11.897092
9.019440
10.177923
9.620289
8.575335
8.011475
10.793664
8.708151
10.409253
9.715262
8.851466
11.965331
10.685141
9.302530
9.855159
10.367138
8.606708
9.685965
8.537248
11.184912
8.165777
10.665242
9.022370
10.064760
8.066774
11.034150
9.732963
8.006104
9.582568
9.023347
10.911832
9.612720
11.213599
8.453993
8.638325
8.992950
9.027497
11.978149
9.209510
11.683096
11.553087
8.777978
11.765618
10.968841
8.103763
10.104556
9.030793
10.980926
11.406964
8.023316
10.048158
10.938322
9.410443
10.749107
10.779626
10.915738
11.147191
9.939512
8.450087
9.508957
9.526170
9.325846
9.507736
9.773736
9.930723
10.054384
11.076144
11.813349
11.494369
10.113590
9.774590
8.389172
9.933164
9.221961
9.779839
9.930601
8.806543
8.552751
8.005737
11.316996
8.083621
8.668477
8.274056
10.808924
8.888089
11.042451
10.353465
9.503342
11.299417
10.539995
9.739799
9.686331
8.081545
8.236824
10.054872
8.459243
11.219214
11.948363
11.935789
9.014069
10.131046
9.842708
8.292367
9.931333
10.439039
8.518693
9.807428
10.877163
8.167241
8.915677
10.552568
11.073580
8.245369
11.436872
9.597095
10.916837
10.191595
11.657582
10.485061
9.119663
9.850276
9.994690
10.452467
9.752251
8.059938
8.712546
9.263100
11.555284
11.125217
11.638661
9.536424
9.902890
9.968078
11.965575
10.441969
11.788812
10.835658
11.515122
10.636555
10.209662
8.435072
8.836940
10.318430
10.323923
10.375683
11.518662
8.273934
9.757134
11.788568
10.081606
11.790887
9.431806
9.002228
8.838038
11.313578
9.295450
11.148167
11.084078
9.717460
9.322184
10.569292
10.003235
10.072451
10.162297
10.910611
10.656575
11.776727
9.815851
9.762383
10.432691
10.930021
10.704550
10.733970
11.335185
10.826136
9.516282
9.832820
11.479476
8.199957
11.021821
9.177038
8.761742
10.481521
11.832514
10.979095
8.923856
10.279855
9.907407
9.057283
11.877804
8.395886
11.347636
11.295389
11.613392
11.850093
11.739006
9.465621
9.725394
8.242439
10.733970
8.868068
9.225990
9.513108
11.062960
8.803613
9.472823
9.474044
10.850185
9.259682
10.091739
9.490524
8.109012
9.181066
9.764214
8.685934
10.292917
11.701895
11.759026
9.044221
11.774529
9.713309
10.079165
11.787225
8.130985
11.142674
8.103153
11.398541
10.108341
9.317789
11.592029
11.672842
10.139958
9.793146
11.937742
10.161809
8.295907
11.011200
9.531297
11.395367
10.536088
10.174871
9.121250
11.249001
10.143132
11.706168
9.039460
8.837062
9.210730
9.665822
8.169195
8.302622
11.060762
9.508225
8.531388
10.881802
8.465346
8.548112
9.361614
11.615589
10.549150
8.512589
10.554888
9.086337
9.245155
11.554552
9.353069
10.552080
8.182012
9.101230
8.148686
8.853298
10.873989
10.915250
9.282022
9.470260
11.091891
11.739494
10.703574
8.101810
10.288278
10.904996
10.380444
9.143712
8.952788
10.273019
9.319742
9.440229
8.771508
9.889706
9.082675
9.683645
8.466445
10.725059
9.667898
9.837825
10.189276
11.873775
11.635243
10.960173
11.345439
11.592395
8.347789
11.796381
10.722495
11.546373
8.205817
10.524613
11.797967
9.643361
8.747703
8.022217
8.102420
8.828394
10.493240
11.031587
9.512131
11.213965
8.403821
11.598621
10.345531
8.920316
8.835841
9.160436
10.140690
9.004669
9.859798
11.656606
11.986816
11.847652
8.822291
10.037416
9.284951
8.378063
11.025849
10.547563
9.814631
11.508530
11.399640
11.157079
11.979247
11.155126
11.038301
10.515336
10.105655
8.220588
8.482925
11.804926
11.675405
8.911771
11.618885
9.867367
11.358135
10.768029
10.065615
11.978637
8.727073
9.776543
9.934263
8.646992
10.527299
11.947874
10.827479
8.810205
8.374523
10.727134
10.955290
11.805414
8.759056
9.617237
8.244881
10.487869
10.228339
11.387066
11.316385
9.873104
8.624775
9.240516
8.200323
11.677725
9.253822
9.322672
10.674764
9.132359
10.855312
11.935667
10.091006
10.445753
8.255867
8.840358
10.570025
11.288797
10.575640
8.020997
11.438704
10.680013
9.863460
11.282937
8.783715
10.642903
9.039216
8.062990
11.999023
10.011902
8.013062
10.826502
9.198157
8.762474
8.862087
11.422468
9.371014
9.238563
10.934172
11.777947
11.156346
10.654500
8.757836
8.300913
10.106510
11.244484
11.632557
11.370952
10.320750
10.436232
9.771294
11.288919
8.318857
9.423017
9.875668
8.063845
11.033540
10.508377
9.013215
8.411267
11.793451
9.599536
9.676443
11.335673
10.174993
10.225532
8.894803
9.675344
11.595569
9.451704
8.277841
8.983184
8.523576
8.069094
9.861873
11.117161
11.181494
11.432234
8.636982
11.918210
9.615162
9.319010
10.629109
8.348033
11.006561
9.190832
11.410138
8.463759
11.225074
11.914914
11.602405
8.634907
11.495834
10.436110
8.151860
9.612964
9.679128
11.675161
10.283639
10.349437
11.655751
11.721549
11.019745
8.111576
11.387432
11.838130
11.011933
10.260201
10.441969
11.924924
10.406568
10.757042
11.541612
8.538469
9.170202
8.914335
8.509659
8.340831
9.251015
8.261971
8.991119
9.852229
9.951720
11.405744
8.320688
8.384655
9.887631
8.753197
10.915372
9.029939
10.906461
8.983306
9.564623
10.576617
9.343669
9.130284
10.994842
9.232337
9.988464
8.161992
10.080996
9.026154
8.136235
9.924863
9.083285
11.764397
11.102145
11.330790
8.280892
9.416913
8.569231
9.660695
8.380016
11.808832
11.149876
8.862209
11.069552
8.490005
10.529984
10.712241
10.101260
9.661550
8.577898
10.722861
11.267312
9.029572
8.785913
8.664571
9.652150
9.465743
9.424482
9.581347
10.532060
10.346385
11.781976
9.172643
10.298776
9.446089
10.865444
11.418561
11.780999
10.262276
9.937071
8.320566
10.339793
11.642933
10.262032
9.636525
9.112339
10.595050
9.441328
8.480972
11.778802
11.147191
11.707266
10.668538
11.227638
10.142155
11.552599
9.674490
10.495193
8.834132
10.072939
11.087497
10.352855
9.165563
9.393353
8.428968
11.917478
11.598498
8.556780
10.215888
8.661153
9.376019
10.247993
8.139164
8.193731
8.088015
9.728813
10.235542
10.194281
9.417280
11.359111
8.925687
8.864772
11.938841
8.078494
11.796014
10.284249
11.850703
9.224769
8.994781
9.034700
8.508194
8.061892
9.124546
10.475906
9.639088
10.395459
9.497482
11.043916
9.111118
11.647938
8.635884
10.947844
8.132084
11.770501
10.888882
11.640248
8.752709
11.365703
11.040864
8.435316
10.549638
10.395459
8.787744
10.651448
11.363628
8.851100
8.955596
11.651357
10.966643
10.758507
9.335734
9.156285
10.534257
10.894253
8.012207
10.208808
10.797327
9.587817
8.057009
9.157506
9.748833
10.985443
11.466781
9.042390
10.779748
10.148137
8.217170
10.752403
10.120182
8.362804
8.309336
8.330699
10.460036
10.037660
10.683187
10.805628
9.623829
8.558977
8.873318
8.917508
11.176733
10.484817
11.282205
11.120945
9.832698
9.447676
11.944823
11.234230
10.545366
11.145482
9.661184
8.112674
10.150945
8.791040
11.371563
11.721305
8.442640
10.399609
9.646657
11.978393
9.548753
9.285928
10.173040
8.750511
8.490860
11.148167
11.103366
11.369488
11.796747
9.111484
10.149480
10.046815
11.042329
8.109622
9.293863
11.564196
10.199774
9.975524
8.991241
9.609668
9.663625
8.618061
9.738701
10.139225
11.832392
10.661458
8.888089
10.135685
11.120090
10.918302
10.574541
10.141545
9.272011
10.075381
8.638569
10.940031
10.860317
11.964110
8.414197
10.759728
11.834223
11.792840
11.259865
9.377972
8.000000
8.714377
11.706168
11.496811
8.306284
10.105411
11.096408
11.768059
11.807367
8.930448
9.593432
9.841487
9.182653
9.568285
0.897569	# Label of molecule (5)
3	# Number of Instances of molecule (6)
10.380438
8.915585
9.736150
10.729013
12.571062
8.999863
11.213069
9.206954
10.377428
8.929281
8.555915
9.830325
9.574905
9.925891
12.537249
10.479459
11.594852
11.037249
11.739699
11.833948
11.904340
8.856131
11.000023
9.595762
9.663109
12.437018
10.666152
10.000934
10.967182
11.724715
12.332624
12.028975
12.080402
11.288583
11.602638
10.778020
9.893995
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11.414411
8.501846
0.909065	# Label of molecule (6)
5	# Number of Instances of molecule (7)
10.391219
8.948635
9.490409
10.521530
12.257910
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11.158422
0.887854	# Label of molecule (7)
4	# Number of Instances of molecule (8)
10.571179
9.139548
9.745456
10.628893
12.260773
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10.933073
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10.671957
10.585894
0.890634	# Label of molecule (8)
4	# Number of Instances of molecule (9)
10.388459
9.062553
9.584948
10.586148
12.358315
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11.505381
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9.227943
0.891062	# Label of molecule (9)
4	# Number of Instances of molecule (10)
10.572164
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10.727945
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10.008240
0.767468	# Label of molecule (10)
5	# Number of Instances of molecule (11)
10.625614
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8.664571
8.582415
10.121403
10.073428
10.119694
0.806577	# Label of molecule (11)
5	# Number of Instances of molecule (12)
10.527526
8.902222
9.467317
10.558285
12.390680
9.065174
11.227447
9.167244
10.421766
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9.044409
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0.767556	# Label of molecule (12)
4	# Number of Instances of molecule (13)
10.475331
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10.743323
12.474701
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0.798959	# Label of molecule (13)
3	# Number of Instances of molecule (14)
10.647242
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8.750755
0.818771	# Label of molecule (14)
4	# Number of Instances of molecule (15)
10.503764
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10.900357
0.793082	# Label of molecule (15)
3	# Number of Instances of molecule (16)
10.416650
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8.554216
8.792871
9.402509
10.082461
9.436323
9.078036
10.223212
10.074038
9.881039
9.131626
11.494858
9.852718
11.861324
8.860744
9.258583
11.598132
9.056429
11.823481
10.286935
9.399213
8.289193
8.112308
11.718741
9.854549
10.080386
9.012848
8.000855
8.881741
8.194464
11.808466
8.008911
10.113590
10.054140
11.111301
11.221778
8.254891
9.894955
11.089694
9.827326
10.775597
8.539201
10.969451
9.631642
9.314249
11.660878
10.184149
8.648701
10.168157
8.417249
9.548387
10.244209
11.243629
10.324656
10.829554
9.709281
10.843104
8.248909
11.092502
11.139012
11.662099
11.390240
10.194281
9.490524
9.373211
10.133366
11.800287
10.695761
9.170324
10.641804
8.300058
8.704123
11.649281
11.067598
9.996765
8.329234
11.398297
11.254250
8.943632
8.776147
9.676565
9.806330
9.805597
8.722922
8.551164
8.401746
10.118229
11.831538
11.872311
9.220740
10.320383
9.563768
8.456923
9.367351
11.935667
8.177618
10.861782
10.158025
8.276742
8.776635
9.112949
9.152379
10.048524
11.290262
8.776025
8.801050
10.224555
11.258522
0.789577	# Label of molecule (16)
3	# Number of Instances of molecule (17)
10.648439
9.160291
9.642819
10.589099
12.329950
9.053579
11.350886
9.207991
10.432593
8.675274
8.666174
10.049533
9.514406
9.901625
12.675874
10.477274
11.781099
11.165520
11.685377
11.661444
11.767278
8.792188
10.943063
9.779833
9.859633
12.152371
10.336568
10.265368
10.713131
11.771516
12.391729
11.875086
12.232145
11.402210
11.577877
10.968394
9.656672
9.943302
9.051038
11.685120
9.900577
10.161240
12.411924
8.842416
9.195904
12.643860
11.601492
9.947573
11.902131
11.813792
12.608828
8.577668
9.760361
11.853230
9.452686
11.054226
8.156565
12.230704
9.813615
8.709126
10.319239
12.483261
10.779696
8.998019
10.625035
9.022848
10.294667
8.995495
10.367684
10.010483
12.322105
10.301876
10.062866
9.916495
8.519272
8.799959
10.495488
11.105354
8.880520
9.754182
11.471374
9.321135
9.453732
9.469801
9.613442
9.752520
12.427685
8.151563
11.263101
9.783965
11.058838
11.113984
12.101333
9.350893
12.135068
12.345170
11.814793
10.374132
11.192075
11.783512
9.073381
9.361776
8.581929
11.804089
11.460044
9.347225
8.714866
9.747921
11.488693
9.349083
10.861351
11.602248
8.786729
12.200385
9.203375
10.168444
11.719781
11.820579
12.142491
12.803791
10.232671
10.169560
9.025450
10.450515
9.343436
12.671207
11.268812
10.931846
9.259426
10.389820
11.432421
8.497456
10.264767
9.130860
9.208996
12.591890
11.124067
12.430768
10.098302
11.762450
11.237066
8.676862
9.383343
9.280633
6.176304
8.213692
9.616721
6.539014
11.196216
11.300234
9.988598
4.540384
12.527565
9.943822
6.472348
7.637878
6.954362
7.361636
8.437006
8.151200
8.133998
10.443135
8.549782
8.836330
5.599515
6.358503
12.406099
7.910532
6.451206
6.958712
9.857531
9.310110
11.358642
7.836789
8.159862
6.684061
9.390976
11.652846
7.921938
8.716050
5.187859
6.687441
8.328569
8.475243
8.441822
8.542622
6.873796
8.757741
6.745354
7.608224
7.007423
8.890478
5.085872
5.686490
9.254515
11.340900
7.264112
10.863177
10.252530
10.558774
8.090280
7.032798
10.852184
9.839276
7.697199
7.396361
8.031460
8.322299
9.546280
12.317955
10.268524
5.833310
9.225902
9.257670
7.663656
11.244380
8.919832
6.679710
11.212854
8.918728
5.379756
9.146093
9.539488
6.394573
6.582975
6.520720
11.993155
6.651900
8.909128
7.448235
7.952837
8.896320
7.361764
9.860778
9.421072
10.341139
8.242146
7.681431
10.644852
7.165287
5.686166
10.380228
6.909830
7.377842
7.075806
9.648722
11.004535
7.460610
9.326329
8.965637
8.436568
9.684475
7.710228
10.637458
6.763510
9.312820
7.941258
5.539372
8.765302
10.745794
9.974457
9.943781
6.075674
8.321088
12.006422
6.263249
6.829435
9.422116
6.426179
9.686730
9.826540
9.861150
9.803564
9.961251
9.770324
8.518905
9.782062
10.153175
9.842020
10.034082
8.560809
9.443185
5.829294
9.254067
9.726859
10.322703
9.890683
8.457045
10.181707
10.257393
11.035737
8.498672
8.465590
9.866146
11.704093
10.111148
9.182043
10.981780
11.558702
11.236427
10.257149
9.951720
8.893704
11.672231
8.602191
9.217078
8.060427
10.679159
10.520829
9.790704
8.821802
10.923429
8.730369
9.009064
10.512284
8.130619
9.878475
9.931578
9.877132
11.825556
10.424390
10.764489
9.466720
8.532609
8.764183
8.682028
11.459944
8.812891
11.471786
10.422681
9.792535
9.511643
9.533250
8.031129
11.465926
8.591327
10.447951
8.127445
11.908689
11.926756
10.071718
9.070833
11.270608
9.434370
10.076968
10.399609
8.518571
11.915036
8.905789
8.917875
8.214240
9.980041
8.089724
9.807550
8.844996
10.439894
9.811335
11.136082
11.585803
11.528184
11.584094
10.140446
10.364086
8.336924
9.922910
9.657521
10.106754
9.837336
10.883755
9.079257
10.039491
10.861538
11.343486
10.205267
10.916959
8.421033
8.898099
10.369335
11.057344
9.735038
8.253304
9.214393
10.057314
9.345378
9.981384
9.491134
9.060213
10.692099
9.520310
10.254341
10.455397
9.525315
8.291513
8.833399
9.881527
10.527543
8.808130
9.950987
11.409406
10.522172
11.650868
10.364574
10.780114
11.642933
10.186590
9.407758
9.572314
9.839534
8.903836
9.804010
9.174352
10.093692
9.240516
11.128513
11.436506
9.721488
8.777978
8.294687
10.876797
9.136143
9.679128
9.438398
9.318155
11.448103
10.241890
9.574999
9.828303
10.273873
11.445784
10.406446
8.841456
11.133152
8.365368
10.650227
11.332743
9.804987
10.326731
9.267373
11.923338
9.021027
11.679312
9.964415
10.790613
8.869045
9.061434
9.342936
11.257179
8.282968
11.033296
9.072787
11.934690
8.993561
11.950804
10.464431
8.297739
11.314798
11.957274
11.813349
8.562883
9.141392
10.967376
10.894253
10.745811
9.532762
10.518754
8.978179
9.774346
8.256966
11.364483
10.747765
9.531419
10.671468
8.683981
8.486343
8.701926
9.313883
8.785546
8.915311
11.299539
11.579943
9.176061
11.055025
10.748131
8.861110
9.873470
9.483932
10.393506
8.519059
9.835139
11.371563
9.318766
8.070437
8.380016
9.659352
8.339976
8.958159
9.476974
8.765526
9.057161
9.282998
8.775292
9.187902
8.833155
8.871731
9.253212
11.380474
8.579241
10.056093
9.357219
9.278237
8.218879
11.536973
9.510056
9.845637
10.707236
10.710410
8.860134
9.023225
9.479293
11.829585
10.148137
8.448012
8.203986
11.376690
8.565447
11.322001
11.717154
10.021668
10.481399
9.804254
9.008454
10.542314
9.909970
10.301706
11.140233
11.078341
8.596820
9.032502
8.968413
9.098788
11.595813
8.239265
9.545579
9.453902
8.213874
9.424238
8.076174
11.888302
10.199164
9.983703
10.304147
11.389874
9.043611
11.615955
10.202338
10.750206
8.280648
10.877285
9.844661
10.710776
8.647969
8.261361
10.330271
9.068880
9.993957
10.177923
11.799921
8.203253
9.290445
11.819697
8.195318
9.981140
9.684744
8.005493
11.341411
10.145329
11.995117
9.116123
11.053316
11.641713
8.491958
10.718223
8.544084
9.823542
9.172033
9.256752
8.157231
9.695120
10.565630
10.387524
8.968291
8.678854
10.599811
9.272134
8.127812
11.280496
8.390759
8.208625
9.822199
8.028565
9.841121
10.971892
11.725700
9.061434
9.916807
11.241798
10.821009
8.738304
8.478286
10.490799
8.460707
11.648549
10.542070
10.708579
8.546892
8.394055
11.846553
9.336589
8.702170
11.520981
8.597552
9.789361
10.308420
11.973754
8.269051
10.936247
11.287332
10.448317
8.332408
8.919584
11.498764
8.018921
11.791498
10.683309
10.630818
10.412793
10.397046
8.587176
8.456679
10.307932
8.415418
11.483993
11.334819
10.030702
9.828181
9.629200
10.824793
9.025788
9.834162
8.805078
10.297311
10.474685
9.533494
11.028535
9.409345
11.437849
10.665487
9.220252
10.322703
10.895230
9.275307
9.210852
11.539659
8.060305
9.187170
10.456740
9.230140
9.342692
10.155461
10.842006
11.927122
8.333262
11.571520
10.942351
8.463149
9.189489
10.599567
11.123875
11.024995
9.791925
11.618397
8.852931
9.199499
11.051485
9.840999
9.592334
8.887600
8.738182
9.990905
10.658406
11.959960
10.210028
10.906095
11.413556
10.529740
8.413343
8.949370
9.170080
11.718009
11.533921
11.097751
10.180609
10.785974
8.669210
10.585772
11.087619
8.509171
9.901303
11.980102
8.210944
10.670003
9.140782
10.557451
10.045351
9.540452
8.121342
8.862941
10.343211
9.234169
9.917051
11.322611
9.159825
10.799402
8.356578
11.786126
11.233619
10.928922
9.713797
10.873867
9.076571
10.163762
9.043855
10.003723
8.152837
8.461806
9.545091
10.972991
9.516282
8.010865
11.317484
11.968871
11.284158
9.157140
9.895444
8.884915
8.322764
11.327128
10.929777
8.816919
11.518418
8.815332
9.391034
8.612690
10.008850
9.316568
11.673940
9.351970
9.752007
9.072298
8.972320
11.631581
11.803949
8.511612
8.305429
10.529130
11.683950
10.258614
9.565477
11.122776
11.200293
11.381451
10.964324
11.439802
8.111820
11.759270
11.254372
9.709159
11.000702
10.441237
11.096408
10.796106
8.730003
11.872555
9.952452
8.688498
9.864437
9.862362
8.875637
11.915281
9.424970
11.169774
11.574816
8.768212
10.355052
10.581256
10.126164
11.203833
9.073153
11.354961
11.709708
10.299875
8.486099
10.908780
8.743309
10.141911
11.837886
9.623341
8.790551
9.013581
8.769433
10.639607
10.616657
10.767907
10.965667
8.521500
10.768151
11.251930
8.760887
10.662069
11.050996
10.662435
10.083438
9.306314
11.281961
8.704855
9.107822
8.066530
9.688528
9.433271
9.995666
8.804590
11.332377
8.643941
9.095492
10.755943
10.930876
10.699423
8.980499
11.772332
10.452467
11.656606
11.694693
11.554308
9.860530
11.575182
8.587298
10.753868
11.380108
8.880276
0.807726	# Label of molecule (17)
4	# Number of Instances of molecule (18)
10.382890
9.097034
9.649171
10.586711
12.363281
8.873622
11.467207
9.349878
10.468878
8.830625
8.647582
10.105329
9.382724
10.012026
12.500815
10.594558
11.573690
10.981572
11.707955
11.811946
11.760411
8.971290
11.113185
9.516955
9.706113
12.353268
10.663639
9.704108
10.703323
11.879315
12.422505
11.931528
11.694450
11.406611
11.298306
10.610753
9.754492
9.824350
8.874008
11.727606
9.945030
10.548976
12.445127
8.713297
8.880163
12.765176
11.203105
10.074691
11.589757
11.794305
12.340907
8.075381
9.487936
11.505105
9.351676
10.975805
8.467326
12.350773
9.707535
8.731595
10.451704
12.109455
10.562581
8.732598
10.546791
9.468856
10.550944
9.494557
10.197158
10.142899
12.374763
10.035854
9.681291
9.677485
8.398759
8.872359
10.625303
11.147348
8.352121
9.912735
11.795198
9.172191
9.666818
9.313783
9.610652
9.437766
12.271867
8.462336
10.972576
9.951115
11.012329
11.584908
12.140097
9.289865
12.141942
12.386425
11.312257
9.894899
11.237567
11.847588
8.686099
9.162809
8.840727
12.327193
11.394718
9.022989
8.980446
9.670895
11.542903
9.260740
10.961253
11.613189
9.272442
12.516830
9.404227
10.025821
11.285438
11.919944
12.025587
12.396168
10.147599
10.363098
8.905098
9.940634
9.507232
12.484362
10.806688
10.714490
8.982037
10.124307
11.539705
8.510276
10.551202
8.676205
9.093744
12.132958
10.847018
12.463039
10.381182
11.500014
11.473476
10.102596
10.037611
10.531379
8.574865
11.082494
9.754311
8.292523
9.887965
11.508961
11.402677
11.340506
10.593678
8.309156
10.191809
6.272341
11.014311
7.119920
8.722543
10.267819
9.655615
6.882064
4.588844
10.494763
9.660546
7.876463
7.223729
9.032016
9.908917
10.011647
10.915746
9.837952
5.952586
8.762506
8.268842
8.904854
7.408529
4.936610
8.259435
7.900296
5.833969
9.063729
6.668456
8.564977
8.188853
7.693500
11.839878
9.107143
8.070676
6.826082
8.885554
7.800393
8.638303
11.161700
6.775331
9.383837
7.178903
6.347620
7.239434
9.698804
8.424527
11.853362
7.185069
7.704702
7.313432
6.811137
6.574737
9.685009
6.686340
9.820556
8.893979
10.199965
8.760857
8.908498
11.592585
9.321805
9.017313
7.463926
6.675262
7.022239
9.659430
6.814615
10.343847
7.904456
7.470666
9.098646
8.652884
7.730885
8.356560
8.961757
8.339683
10.049974
8.944183
5.687195
10.466884
7.040136
8.622328
7.780290
10.320865
8.674134
8.361395
8.889603
8.696075
7.215257
8.950923
10.473926
6.314268
7.218001
6.664580
11.722160
6.859840
9.502878
6.661988
5.243857
8.867501
6.400771
11.344454
8.525296
11.008085
7.118838
6.438609
5.423964
5.678645
10.983077
9.777514
6.854236
8.499079
7.997452
10.178728
11.530051
11.956182
10.195793
5.902489
9.300277
10.409581
8.159860
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11.296365
0.806136	# Label of molecule (18)
3	# Number of Instances of molecule (19)
10.655398
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0.763208	# Label of molecule (19)
3	# Number of Instances of molecule (20)
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9.915342
10.670248
10.974334
8.093020
11.680898
9.845393
11.824458
8.135014
10.477615
11.052095
10.949309
8.406018
10.386670
11.990356
9.335856
11.728263
10.472243
8.085208
11.045747
8.753441
11.860958
9.412519
8.321665
9.869076
9.719779
11.553575
9.031037
11.720573
10.508499
9.254799
9.819514
10.226508
8.878079
11.767693
8.350352
9.961974
8.595477
8.741966
10.005676
9.781549
9.864315
9.549852
10.422559
10.561968
11.420759
8.914335
9.241127
8.936064
9.776788
9.717460
8.437513
10.893277
11.987548
11.862911
10.618976
9.123325
8.316660
10.068300
10.653279
9.976379
9.175695
9.462935
8.010987
9.916196
8.710593
9.864193
9.192297
11.339335
11.413434
11.609241
11.615101
9.637501
8.131108
9.815973
10.338939
9.376629
9.848933
9.949400
11.000946
9.468551
9.620289
11.567248
10.335765
11.209204
9.022736
9.119419
11.658315
9.059236
11.510239
8.679098
8.680929
0.789146	# Label of molecule (20)
4	# Number of Instances of molecule (21)
10.589411
9.046765
9.581913
10.675327
12.346637
9.001109
11.408737
9.292781
10.576904
8.892840
8.663650
10.024368
9.545155
9.822780
12.464216
10.552734
11.758448
11.123183
11.791031
11.585388
11.805048
8.884371
11.148536
9.745492
9.731494
12.424225
10.499038
10.154084
11.183020
11.548557
11.947559
11.793856
12.288028
11.216121
11.690956
10.993954
10.164632
9.808644
8.857536
11.892024
9.971639
10.004806
12.188612
9.034290
9.142766
12.426691
11.435518
9.744928
11.509872
11.550011
12.449262
8.437392
9.680819
11.326213
9.070362
10.756219
8.394417
12.361421
9.467223
8.693849
9.965842
12.521715
10.995359
8.725539
10.865317
9.261573
10.283145
9.230535
10.355670
9.690175
12.353870
10.185592
9.987304
9.733220
8.615629
9.000510
10.449707
11.452556
8.856259
9.936162
11.528896
9.246984
9.789338
9.397585
9.352369
9.540004
12.387946
8.173799
10.786508
10.131464
11.393572
11.158376
12.391500
9.287520
12.141309
12.600740
11.781561
9.858555
10.998298
11.680409
9.134651
9.706992
8.875536
12.054189
11.772357
8.892230
8.794245
9.322846
12.000898
9.047964
10.822988
11.600656
8.850579
12.446453
9.532291
10.385017
11.546415
12.130193
12.187144
12.526105
10.085787
9.984675
8.738193
9.990057
9.451560
12.406147
11.105554
10.917927
9.226622
10.303599
11.900258
8.630848
10.079965
8.643110
8.118002
11.502337
8.808864
11.307492
8.286873
9.830593
11.763629
9.375250
7.643975
9.364373
7.947396
8.488137
8.176394
8.793470
10.612451
10.775302
9.669057
7.732727
9.882572
5.169140
8.450926
8.418840
10.046807
5.934777
9.879740
11.490606
11.283192
8.853593
10.932215
6.790315
6.112200
11.156022
12.362933
7.023207
5.830828
7.883158
7.605329
6.028064
9.366223
7.839341
10.587060
6.698141
9.395172
7.244211
8.591843
9.197244
6.501958
7.127251
10.568548
9.215905
8.931207
7.895434
10.515138
10.797159
9.488969
6.300451
7.325562
10.051826
4.795105
7.262782
9.249697
6.749549
10.697900
8.335708
11.252975
7.321528
7.859183
6.305039
6.370100
6.040046
7.429511
9.099787
6.613165
11.113074
8.564958
7.671618
9.702779
8.691628
10.564945
11.194605
9.680822
7.388862
9.898920
7.571654
7.958926
9.234854
5.738237
8.676849
7.127342
6.612904
5.312777
8.730781
9.861097
8.361290
10.282094
5.415854
6.901925
7.795766
10.560735
6.195108
5.293038
10.060439
8.805625
8.410554
6.644675
9.020493
9.776752
8.853598
9.613742
10.815959
7.765602
10.009886
5.687326
10.417634
10.230626
10.323172
5.991905
10.201364
7.669446
5.508566
8.595971
6.520842
8.886540
9.847974
4.719062
9.394299
8.154646
7.462556
9.666737
8.158125
6.846311
7.433834
6.927706
7.159075
6.863929
7.403814
8.069852
12.505763
5.794699
8.118022
9.008331
10.751114
10.971429
7.834622
8.553488
11.337019
7.493252
8.158796
11.444294
10.009339
8.549699
11.189184
9.882260
11.965087
11.666982
11.064180
10.311472
11.024262
8.882962
11.514267
10.646199
8.728538
10.634236
11.147069
9.578539
11.817499
10.049623
9.378338
8.619770
11.774285
11.756829
11.552232
10.496414
9.240150
11.211402
9.116489
10.507279
11.169774
10.925504
9.727836
10.215766
10.604083
9.968688
10.160955
8.854396
8.935453
9.118320
10.898648
9.814142
10.540483
8.032716
9.275185
9.595019
9.653737
8.823023
10.050600
10.593341
11.360088
10.397900
10.288888
9.098178
10.578326
11.958129
9.415571
11.876217
10.912198
10.012635
9.331706
8.714621
11.243751
11.295145
11.455306
10.303293
9.943907
9.952086
11.568590
10.824305
10.574786
11.380840
11.345439
8.630146
10.959807
11.089816
11.432722
8.382092
11.495468
10.958342
8.960967
10.023865
8.580828
9.269204
8.361095
11.966430
9.038972
10.889859
8.359630
9.859798
11.404767
9.976379
10.028871
10.324412
9.956481
11.577746
8.766869
9.018952
11.363872
8.510880
11.082736
8.419568
11.827265
11.886959
11.059908
8.684469
8.585833
11.658437
11.376202
10.979217
9.666921
9.566576
11.751946
10.638630
11.752434
8.861965
9.703665
11.539781
10.038026
11.172216
8.477065
11.059786
9.959044
8.894681
9.034944
10.995331
8.658589
11.487045
8.974395
11.818842
8.073733
10.030824
9.249306
9.643605
11.512192
10.444288
11.572253
9.276772
9.597339
11.718009
11.370342
8.732688
11.456160
11.549181
9.172521
8.581194
11.022065
11.749260
9.299722
9.508713
8.332286
9.800226
8.735618
11.463240
11.691275
8.934355
9.052156
9.761895
8.575701
9.111850
10.264229
9.533860
11.158788
11.272561
11.489486
9.873959
8.323862
9.235633
9.287637
11.082125
10.048158
9.623341
10.554888
8.364513
8.026246
10.182318
10.846889
9.370281
10.412305
8.879299
11.007904
10.938688
10.553911
10.144230
10.978240
8.432508
11.592761
8.637593
9.657765
9.033113
10.808435
8.916166
9.697806
10.370312
9.578661
9.371746
8.098758
11.863643
8.831690
8.818384
11.486679
8.149907
11.866817
8.103641
8.944487
11.971313
10.415357
9.117588
9.273965
11.899411
11.820673
11.575549
11.561388
8.270028
11.209326
9.949156
11.922483
8.705100
10.529618
10.921354
11.303812
10.593341
8.332163
9.738945
11.212012
11.909055
10.168523
9.839412
10.248482
9.740654
11.480209
8.125370
8.324351
11.905271
10.857143
10.263619
11.428816
9.024689
9.536424
10.381176
11.827876
8.436781
11.019501
11.535997
8.568499
9.318400
8.680441
9.335002
11.161229
8.393078
11.243019
11.077486
11.317362
11.601672
9.997620
8.793847
9.617847
9.106235
9.638112
10.560991
9.984191
9.007843
10.588458
8.464125
8.831080
11.147801
8.697653
11.582751
11.772332
8.371349
8.177618
10.374584
8.757469
8.626362
9.656301
8.833888
8.512955
9.273965
9.224281
10.797327
11.162206
8.984039
10.349193
8.772973
11.900754
9.669729
10.602252
10.292795
10.572710
9.797418
8.226936
10.543168
8.350719
9.517258
8.912015
8.052370
8.942412
11.915403
8.614765
10.232978
9.002106
11.874142
9.186926
11.486679
11.253517
11.917844
10.753014
10.702353
10.972625
11.205786
9.268105
9.339885
10.339549
8.050050
8.130985
9.474044
8.531144
10.330760
10.726524
9.174963
9.432051
10.184393
10.772668
10.599689
10.836756
9.342448
11.347636
10.169012
9.019807
11.491073
9.470870
10.206366
10.547929
8.031007
9.115268
9.410932
9.208655
9.610523
11.522080
11.543931
11.932249
9.805597
9.696951
9.698294
11.580065
9.325480
11.960448
9.531663
10.475295
11.115452
9.427290
8.833644
8.551042
10.732627
8.292123
8.805078
11.990478
8.372082
9.792901
10.422315
8.233772
10.914274
10.730308
11.263039
11.228126
10.372021
11.416486
8.167974
10.794153
11.110691
11.928465
9.114048
9.984924
8.217048
11.541368
11.671377
8.311899
9.391400
8.215827
11.424055
10.713584
10.737754
9.016022
9.725028
8.139897
10.827967
8.331309
8.162481
9.631397
9.414106
8.778222
11.112033
11.762932
11.164647
9.657521
11.749626
9.330729
8.797998
9.839412
10.901456
9.157506
9.991272
9.955626
8.103153
10.887661
10.435255
8.769066
10.246406
8.651631
9.414716
10.599811
9.185339
9.471358
10.286691
10.679403
9.680105
10.283395
10.230903
11.311136
11.049776
9.453780
9.650929
11.709098
11.912961
10.660848
9.596484
8.392224
9.387982
11.019013
11.585803
9.008332
10.129704
11.321146
8.200568
8.461928
8.576800
8.272103
10.830164
10.222968
9.785821
10.590167
10.937590
9.689138
8.224860
10.849452
9.225990
10.478713
11.904904
10.941496
9.077425
10.527421
11.219825
9.027131
8.640156
8.865505
9.875057
9.856380
11.939329
9.949278
9.274697
10.330882
9.386395
8.422132
11.746330
10.182562
8.062014
11.181005
9.975280
11.645375
10.146916
11.620838
8.026734
9.993713
11.876705
8.936186
9.326701
10.823450
9.394574
11.350688
8.980377
11.949339
11.878292
8.151006
9.800592
9.795587
8.314463
9.402875
11.423078
8.153203
8.297617
10.218207
11.881588
9.179357
11.226417
10.455031
11.019745
8.514054
8.273568
10.720908
11.114109
10.388867
11.505844
11.555284
8.081668
8.603534
10.524247
8.667989
8.650166
9.243690
11.006317
11.106662
10.862758
9.016511
11.519028
11.228126
11.295145
9.078524
8.981597
9.351360
8.356700
10.230171
9.151158
9.963439
9.054964
9.352824
8.506973
8.355724
8.593768
10.963347
11.908811
8.565081
10.183660
9.759819
8.401624
11.494247
10.437941
10.035951
9.547044
10.086856
9.729179
9.835994
8.649922
10.433180
8.883084
11.728385
9.260537
11.679312
11.581164
8.070315
9.323893
11.616443
9.850887
10.640828
9.354045
10.825037
8.016846
8.514176
11.004852
10.248604
10.486892
8.052614
10.415601
11.072237
8.749413
10.889981
8.704855
11.780389
8.957549
11.269753
11.473251
8.200812
11.289651
8.891873
11.747429
11.544664
10.738487
10.300607
9.911679
11.840449
10.399243
9.978088
10.455397
9.813898
8.135990
11.317240
11.363994
8.201422
10.871059
11.132420
8.092532
8.179571
11.617420
9.475387
11.751823
10.785974
10.660482
11.631458
10.878140
9.207923
9.262123
11.168798
8.166143
11.813959
10.263985
8.919218
9.536668
9.800348
9.963683
8.762841
8.914579
9.332926
11.640126
9.091830
10.095035
10.053163
9.101352
10.829920
9.067782
9.827937
10.631916
8.881252
10.179510
9.616626
11.712394
11.883297
11.506211
10.329905
10.888516
9.140294
8.811792
11.555162
9.163121
9.611255
9.467452
8.025636
11.286966
11.826899
9.706961
9.705496
9.321818
9.611988
10.593097
9.367351
10.854213
8.487808
10.069643
11.537217
8.229743
9.627735
10.475051
10.681478
11.189062
8.244148
10.891079
8.511124
11.273904
11.279031
11.703116
10.278390
8.384045
9.274697
8.745872
9.939634
11.857662
11.299295
8.411023
8.061769
10.447340
9.801080
9.089389
8.344981
11.573717
8.268929
8.324717
8.637959
8.223884
10.571368
9.053865
8.319834
9.875790
8.850246
8.307382
11.925291
11.818842
8.845119
9.745903
10.885708
11.250099
9.521165
11.407819
11.263405
8.517472
11.877560
10.042787
9.352580
9.887265
9.809992
9.406415
11.022797
10.209052
9.903623
9.890072
8.678854
11.854976
9.029572
10.862636
11.714225
10.307199
8.622700
11.097751
8.329844
10.768639
10.512284
10.661580
10.597491
10.172308
9.183264
11.637562
8.637593
8.964019
9.343059
9.060823
9.791803
11.033784
11.666372
9.439741
8.660421
8.169317
11.595569
8.237434
11.884396
11.411115
10.070864
11.689932
11.542100
9.676443
9.064852
10.334788
11.040132
10.036439
10.797327
9.625904
9.370769
8.012818
9.503098
9.009308
11.611072
10.276193
10.632527
10.834681
11.539537
10.114444
10.353221
10.477737
10.245308
10.052919
10.234077
9.048982
8.604266
11.995849
11.983154
8.063356
9.496994
9.267006
11.114353
11.445051
11.644520
8.923856
10.420606
10.243965
10.935392
10.719321
8.125004
11.438215
11.121555
11.088229
9.587817
10.197211
11.754143
10.531693
9.441939
10.980682
11.238624
8.774071
9.034822
8.848659
8.880764
10.070132
8.048341
8.358043
11.800287
11.033662
11.174780
11.418683
10.586383
9.366008
8.720603
11.486557
9.570971
9.857845
8.017701
9.468062
11.594226
10.038392
10.511673
8.709372
11.135594
9.848933
11.405866
8.446791
11.689810
11.715201
8.735496
9.094028
9.257607
11.391461
10.746422
8.739280
9.830134
9.955504
8.452040
8.228889
10.739586
11.324686
10.247627
8.212043
9.752861
11.671865
9.451216
11.520493
11.781854
9.114292
9.652150
10.260323
9.085726
8.051271
10.737022
10.989471
8.841700
10.524613
8.471694
9.355144
11.956175
8.977935
10.512284
11.568712
8.993927
8.789697
9.721366
10.090030
9.100131
0.788092	# Label of molecule (21)
5	# Number of Instances of molecule (22)
10.372321
8.928931
9.521707
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9.797906
0.803070	# Label of molecule (22)
5	# Number of Instances of molecule (23)
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9.903500
0.769252	# Label of molecule (23)
5	# Number of Instances of molecule (24)
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0.805545	# Label of molecule (24)
3	# Number of Instances of molecule (25)
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0.784557	# Label of molecule (25)
5	# Number of Instances of molecule (26)
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0.782670	# Label of molecule (26)
4	# Number of Instances of molecule (27)
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10.754112
0.794162	# Label of molecule (27)
5	# Number of Instances of molecule (28)
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11.862911
0.792224	# Label of molecule (28)
5	# Number of Instances of molecule (29)
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0.828218	# Label of molecule (29)
3	# Number of Instances of molecule (30)
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9.346965
11.894162
10.598468
11.308329
8.491226
10.288034
11.044527
10.136662
8.998688
11.667837
9.188269
11.053194
10.855190
9.636525
11.285134
9.831965
8.362560
9.222205
10.781091
8.145146
9.238929
11.931761
9.470992
9.004303
9.926817
11.797479
8.804956
10.380444
8.490860
8.290414
11.717032
9.879452
10.473830
11.976928
9.353923
11.347514
9.089633
8.790063
9.076449
10.279977
11.127537
10.796594
10.109317
8.911649
9.941099
11.327616
11.214087
9.860164
8.899686
8.354381
8.761620
11.199805
8.674825
9.979308
9.576952
11.840327
9.737602
9.919858
8.932768
10.084292
11.442244
10.860073
10.066836
8.240730
11.070284
11.543199
11.597522
10.167180
8.211676
11.482650
11.212134
8.616718
9.855403
9.164342
8.005249
9.265175
9.566942
11.617176
11.839228
8.292489
8.126469
11.223609
10.102847
10.393872
9.003204
11.650380
8.245003
8.095706
8.039674
10.769250
10.455153
9.251381
10.723960
10.445387
8.868313
9.591601
8.420423
9.068392
11.667959
9.204016
10.938444
10.700400
10.462111
9.818049
10.810511
10.715781
9.309122
11.769402
8.657735
11.808710
11.765130
11.518906
11.014863
10.242744
8.330943
10.601398
9.992370
10.217475
8.673360
8.879177
8.148564
10.227363
8.992218
8.974883
9.948668
11.287820
10.913419
8.759423
11.183569
10.903409
10.279122
8.769433
11.725944
8.653584
8.212287
11.429548
10.995697
11.269875
10.828211
10.954070
11.513169
11.081027
9.971007
10.803674
9.911313
9.700003
11.347636
11.571398
8.785791
8.827906
10.435499
10.174139
8.754540
8.051027
10.539140
9.222327
10.103458
11.503525
11.368999
9.446211
11.393780
11.273782
10.520096
8.050050
10.405103
9.427046
10.223334
11.872433
10.788903
10.521073
11.745354
8.224738
11.807855
10.487869
9.811701
10.286569
8.537492
9.758354
9.428877
11.927976
11.902463
8.504410
9.479537
8.838771
11.923215
11.872311
11.465926
8.836451
9.550584
11.083712
9.777032
8.229011
8.460219
8.279794
9.854549
9.107334
8.182257
10.980804
10.631062
10.442335
9.942930
8.038820
9.617969
11.861934
8.591815
8.957915
11.016572
10.982391
9.990417
10.456130
11.226295
9.170080
11.235450
8.144169
10.128605
10.606647
11.094699
9.197546
10.517655
9.535203
8.027467
11.894772
10.054750
10.560137
9.167272
11.897458
8.121342
8.877712
11.638417
9.149815
11.946165
11.310282
11.585925
11.267434
8.378918
0.577637	# Label of molecule (30)
3	# Number of Instances of molecule (31)
10.538249
8.965043
9.701326
10.469261
12.271919
8.883876
11.507496
9.352085
10.501648
8.789489
8.540134
9.857744
9.594648
9.529760
12.411319
10.607000
11.824223
10.918657
11.291664
11.296701
11.557043
8.702086
11.159413
9.637681
9.868820
11.967370
10.452018
9.731555
10.815307
11.701730
12.174655
12.345055
11.958572
11.424858
11.429265
10.873691
10.149086
9.661784
9.225009
12.134898
9.813227
10.120905
12.851595
8.789587
9.156972
12.162118
11.126195
9.992349
11.673067
11.864368
12.496604
8.290246
9.799156
11.415721
9.446255
11.109320
8.498272
12.584869
9.346538
8.735259
10.427579
12.067904
10.878324
8.981178
10.749480
9.072208
10.554938
9.111868
9.730635
10.050750
10.400978
7.042657
7.959359
9.383047
7.433724
6.541834
7.769087
9.378686
6.122387
9.879760
9.244939
7.582031
7.035999
9.292944
7.754489
9.078577
10.047774
7.281220
11.368189
8.138818
10.300747
8.263551
11.792717
9.304864
10.602508
11.196336
10.877719
9.745444
11.418599
12.116989
6.269756
8.448010
8.537790
10.542328
11.532804
7.829340
6.975240
7.104598
10.209017
7.750458
8.268994
9.495844
8.329485
9.926487
7.830891
7.333917
9.631373
10.012275
10.581410
10.611812
8.904220
7.179676
6.156285
9.002484
7.884970
12.338850
8.841247
10.307416
7.736391
9.323559
11.784449
8.764675
9.772844
7.311101
6.625639
10.331248
8.539524
9.045201
9.202276
11.739781
8.122390
7.957735
9.864223
8.245930
6.748987
8.015481
9.221091
7.925014
11.958882
9.420673
11.666068
5.795624
7.652665
10.770040
5.762744
10.990860
7.807723
10.132662
5.264500
9.398216
8.877155
9.691095
8.849148
9.423333
7.949703
8.077304
6.480908
6.856376
8.707895
6.756086
10.146704
6.662646
9.366415
6.497512
11.286267
8.902063
8.261425
8.868298
5.770264
7.240860
6.460213
9.543175
7.920427
9.319770
6.371724
10.147700
8.179043
9.254773
6.498425
5.308438
9.328012
7.491498
8.601494
8.815005
10.968372
7.351658
10.113586
8.592309
11.268315
9.405086
6.194029
7.248183
8.790170
10.759413
9.315685
11.576468
11.410305
10.028249
12.282802
5.088573
9.341553
6.652080
7.251133
10.733936
12.499651
10.136986
8.507703
6.299791
7.778258
11.386738
8.712515
11.004812
8.761811
7.493177
10.801192
6.267104
9.276706
8.323041
10.833821
5.224103
8.800535
7.356451
9.704325
11.554685
9.821707
6.747274
9.960809
10.818941
9.342746
6.866860
11.711692
5.129669
8.836980
9.320934
9.870634
8.798421
9.246854
5.989112
11.339266
6.977389
7.479576
6.557476
6.128379
10.748061
6.668879
12.030463
9.979456
8.790431
6.522505
8.546148
9.283516
8.953450
6.218826
7.326936
9.888861
10.163330
9.175694
8.005763
7.316032
9.791081
6.629901
8.010352
10.512435
5.445353
11.694180
8.965119
6.420953
10.364488
11.107367
10.544833
11.000015
7.173279
8.889153
11.661733
9.420820
11.077853
10.706626
9.493210
10.370067
11.597400
11.010346
11.706656
8.180914
8.594134
8.139653
9.934385
8.995636
11.315287
11.962645
9.706107
8.765282
10.884121
9.518479
10.124088
10.106998
8.956450
10.747520
9.467818
9.496261
8.993439
11.490463
9.603931
10.171575
10.026185
8.140019
10.075747
10.123356
8.788232
8.313608
8.746849
8.545183
10.090884
11.924924
11.875362
8.120243
11.313578
11.029267
10.491775
8.518693
8.888699
10.817347
9.957701
8.481582
8.652608
8.132450
9.578051
11.864986
11.938719
9.885922
11.143895
11.020112
11.287454
11.745598
9.279458
10.885220
11.649770
11.474105
10.469192
11.162816
10.956633
9.288736
9.639088
9.956969
11.930662
9.621876
11.167943
10.248726
11.015717
8.652608
11.203223
8.579974
8.298471
9.988464
8.156987
11.325297
8.296396
8.869900
10.256050
9.923399
11.489242
11.273171
11.021455
8.445326
10.466018
8.286874
9.553880
10.872890
10.566240
8.137455
10.497513
9.463790
8.886258
10.236518
8.559465
9.577074
11.529771
11.627918
8.458266
8.334849
10.973357
10.208441
9.176916
10.494827
11.426496
11.096286
11.396954
10.908780
8.056764
8.522599
8.985137
10.941862
11.958983
9.622974
11.411969
10.228339
10.739463
8.500381
9.972839
9.137486
8.594745
8.938261
10.691000
11.326395
11.756218
8.136113
10.773034
9.752251
11.176244
11.843989
9.495529
9.522385
8.333628
9.269692
10.396558
10.953703
8.029298
10.135685
9.645192
10.219184
8.049684
8.257820
11.467757
8.954131
9.573168
10.024476
9.501999
10.199896
10.192450
8.146611
10.957610
8.057009
11.430036
11.058931
10.454787
8.425184
10.619953
8.342418
10.418897
8.203986
9.033357
10.546709
10.903775
10.329661
10.119449
11.784783
9.720267
10.022034
11.739006
9.476852
11.744621
9.618824
10.266549
9.617603
8.280648
9.369671
8.432752
11.941404
9.353069
11.566271
8.785180
11.361309
9.803766
9.384320
8.640889
10.056948
8.069216
9.810114
10.406323
8.584735
10.512040
10.029237
11.139256
10.387402
8.181768
8.650288
9.227821
8.076785
10.881680
11.140355
8.062258
9.864925
9.412885
10.845180
10.573443
10.518632
10.876431
8.972442
8.513077
9.212439
9.901669
10.908414
8.352428
10.655232
8.682272
10.247383
9.672048
11.865108
8.689474
9.905942
9.919004
10.967620
10.941984
11.699576
11.406842
8.392346
11.703970
11.753044
8.431410
8.844020
10.488968
9.123814
10.381176
10.420118
9.242836
9.010407
10.711631
9.253090
11.581896
11.921873
9.664846
10.051698
8.959380
10.182440
8.604266
10.914151
10.639241
11.149022
11.842769
8.790918
8.346080
8.512467
9.836726
9.970397
8.473403
9.061556
11.624134
11.963134
10.718955
8.281137
8.377697
9.159825
10.025575
10.163152
11.952269
8.637226
8.702292
8.601947
10.297311
8.487930
11.599231
9.751885
11.613636
9.047884
11.212867
8.719260
11.125706
11.967284
8.347179
11.517197
9.944151
10.804651
8.713157
8.447645
8.745994
9.336955
9.454390
10.875942
9.350993
8.253304
11.589221
8.472304
11.850093
11.823603
9.907529
8.386731
8.133915
11.482040
10.821741
11.265236
9.005646
9.371746
9.959899
11.165136
8.223273
11.225196
11.376690
11.744987
8.346324
11.955077
8.254891
9.101108
11.263894
11.332011
10.977142
9.629078
10.274483
11.122532
10.435743
9.282144
10.599078
11.063204
10.463332
10.604816
11.195654
11.045747
9.253822
11.913694
10.755577
8.887844
11.651112
9.001740
10.753502
9.065828
8.179327
11.742058
10.427442
11.781121
10.691977
11.963378
10.563677
9.740287
8.510147
8.975860
8.960479
10.019471
10.932218
9.118931
8.448256
8.389660
11.981079
9.708060
8.337046
9.479049
11.272439
11.755486
8.170782
8.144780
10.872890
11.838008
10.659993
9.431928
10.026429
9.489669
8.669576
10.492996
9.622608
8.492447
11.136814
9.842952
8.281625
8.439589
8.792627
11.325907
9.932310
8.948637
10.564653
8.166753
8.757103
10.896695
11.532334
10.485427
11.378521
9.055330
11.314310
9.644704
10.164006
8.497574
11.759026
10.811365
11.521592
11.154881
8.814844
11.101535
9.064241
8.896023
11.456282
10.687704
9.515183
9.505417
10.537797
10.242134
9.230628
11.934690
10.454543
10.089785
9.215613
9.202185
10.481155
8.448988
10.505570
11.317118
8.665914
10.131291
9.791314
10.600055
11.154637
11.078707
9.160436
9.779473
11.818598
10.110782
11.831904
11.234596
9.063143
9.258705
9.755669
11.762688
8.690573
10.058901
10.957732
9.244667
11.692007
11.184301
8.499039
9.584033
11.845088
10.784997
10.929533
8.294198
9.990539
10.915738
8.106326
11.109348
9.863948
11.424055
8.257332
11.993652
10.357006
10.674520
8.159429
8.924223
11.082858
8.483657
8.310312
11.822138
10.122501
8.640889
10.966765
11.006684
10.824793
8.390881
8.925687
8.549211
8.535905
8.250740
10.921842
8.898709
10.135197
9.539232
11.518296
11.157323
9.247963
8.991607
11.363140
11.378155
10.016053
9.835139
11.689932
9.262490
10.295480
10.700644
8.933378
11.630238
9.160192
11.745231
9.339030
11.037568
9.585742
11.360698
9.438887
11.920042
9.185827
8.842921
10.269723
10.632771
9.881283
10.397534
11.208838
9.764336
11.370830
9.855647
11.301126
9.098910
11.283914
9.476852
11.954711
9.602710
8.886868
8.211432
8.876858
8.808008
11.219214
10.800745
11.129734
11.970580
10.534257
9.085971
11.174780
9.376019
11.920652
8.904935
11.788202
8.169683
11.976318
9.949034
9.715506
9.084262
11.414411
11.955687
9.945006
8.441420
10.472854
10.612140
10.472610
11.801874
10.003479
8.545915
11.434553
11.637928
11.115940
8.774682
8.481460
11.406598
8.251961
11.993408
8.270638
8.393445
8.563250
9.071322
9.949278
9.707694
8.469741
10.136296
10.505936
9.797662
8.272713
9.618458
9.863460
11.867672
0.549130	# Label of molecule (31)
5	# Number of Instances of molecule (32)
10.548045
8.932429
9.603042
10.676385
12.311224
8.989844
11.199676
9.300411
10.294695
8.780212
8.691072
9.755437
9.683888
9.608301
12.765290
10.276629
11.277096
11.129707
11.297127
11.689264
11.945306
8.946291
11.067641
9.292482
9.542475
12.583358
10.623889
10.089199
10.979876
11.968462
12.386395
11.944135
11.986864
11.112570
11.565468
10.577638
9.897852
9.539864
9.079553
11.726639
10.270936
10.460371
12.468429
8.901118
9.317269
12.503408
11.679511
9.869050
11.776147
11.806216
12.746201
8.293938
9.347631
11.199598
9.271474
11.054719
8.222268
12.394476
9.729798
8.455169
10.119445
12.379341
10.873301
6.833399
7.872923
8.568314
8.174279
9.252556
9.838657
9.951375
8.913804
7.965102
9.460604
8.972054
8.369228
7.202368
10.050389
9.443554
8.211713
9.698027
11.729505
8.556160
9.061254
6.830358
7.376765
6.601606
11.326148
7.217646
10.520561
8.512314
9.959338
9.321919
11.270794
8.110897
9.348820
10.168663
8.596483
8.221810
9.951967
11.613132
6.842761
7.751834
7.319621
9.551014
11.784252
8.606983
6.418007
6.561750
9.276852
9.017914
10.869521
9.530430
8.587888
11.935104
8.900020
9.839532
8.618720
12.092913
11.258576
12.394285
10.230380
9.853101
7.322509
9.595842
8.986249
12.762917
10.750096
11.140195
9.281599
9.285812
10.186200
6.384001
9.012678
7.775711
8.779194
10.986923
9.340927
12.673605
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11.752434
0.583023	# Label of molecule (32)
5	# Number of Instances of molecule (33)
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0.541300	# Label of molecule (33)
5	# Number of Instances of molecule (34)
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0.583078	# Label of molecule (34)
5	# Number of Instances of molecule (35)
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0.559516	# Label of molecule (35)
3	# Number of Instances of molecule (36)
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11.658193
8.432875
8.152226
9.508591
8.132328
10.082217
11.529771
9.792047
11.245338
10.003479
9.858211
11.330790
9.641408
8.329356
8.646504
9.204505
8.648579
11.936888
8.197516
9.470260
9.426679
11.034761
8.097537
9.793146
8.141972
10.309153
10.166814
8.322031
9.538133
9.496628
9.246864
10.680990
11.282083
10.262520
11.197485
10.952605
9.456954
8.259285
11.480087
8.529679
9.580004
11.239479
9.702689
8.708640
9.517258
10.097110
9.499924
8.899075
10.673299
11.716666
11.124729
10.327586
11.828120
8.498306
10.124821
9.106235
9.997986
9.440474
9.481491
10.545976
10.695273
11.650380
10.583941
8.584613
11.960326
9.160314
10.413526
10.209296
8.543229
9.923399
10.315500
10.744224
8.608417
9.863460
11.730583
11.881710
9.337199
10.855312
8.262703
8.330088
11.804682
11.509384
9.458663
10.954314
9.504318
9.635914
9.671560
8.282357
10.896939
9.264077
9.387371
10.255684
10.356517
11.090915
10.386547
8.095218
11.891232
11.234474
8.115970
10.160833
8.011353
11.167089
10.648396
11.676748
10.122623
11.702872
11.601062
10.200262
8.815088
9.915586
10.391064
8.707297
8.428236
11.860958
11.202368
10.169744
10.263131
11.977660
10.037538
9.500168
8.818140
8.044679
9.230995
10.739586
11.423322
10.567461
8.798120
11.360332
9.647755
11.468612
9.995422
9.563768
8.856594
10.958098
8.466201
8.443251
8.289560
11.459578
8.348155
8.890042
10.039857
9.464400
10.715781
9.115635
9.304971
10.192083
11.733757
10.668172
8.287118
11.928709
11.897702
8.813501
10.116276
8.921903
11.734245
11.160497
11.171972
11.704093
11.337504
10.402173
8.178472
9.720756
9.116977
11.050264
10.448805
11.139378
9.131138
8.035401
9.651173
8.710837
8.381359
9.051546
9.475265
10.563433
9.442915
10.515336
11.570544
8.798730
9.805719
11.019135
8.133793
8.769433
9.301675
8.151006
9.520676
11.910398
10.993622
10.556597
9.253945
10.999603
8.897855
11.118381
10.806604
10.724693
9.921323
9.126743
10.533280
8.428480
11.380596
11.319315
9.124546
11.908933
9.484787
11.660634
9.960387
0.557336	# Label of molecule (36)
3	# Number of Instances of molecule (37)
10.613704
8.959949
9.492508
10.631456
12.541059
9.099141
11.372465
9.149068
10.418694
8.802595
8.779977
9.633548
9.169761
9.542360
12.572352
10.670060
11.699444
11.358124
11.876543
11.603209
11.953496
8.809090
10.735662
9.728397
9.726129
12.168567
10.674238
10.031317
11.079358
11.991003
12.333416
12.114226
11.893428
11.432872
11.459533
10.932721
9.698917
9.973717
9.107557
11.496063
9.808367
10.449164
12.679871
8.784211
9.005694
12.695374
11.187275
9.917179
11.373506
11.822896
12.193818
8.534369
9.746669
11.263968
9.202495
10.826102
8.123947
12.348122
9.467697
8.254942
10.251192
12.419774
10.601259
8.668692
10.436760
9.256875
10.158473
9.095279
10.015171
9.852312
8.651994
8.947264
9.027182
7.838986
8.009162
6.771400
9.408094
9.827686
7.955758
8.252776
9.969177
7.407149
8.822737
7.846463
7.518676
8.840571
8.961582
8.583384
8.682677
7.889474
8.158610
9.881234
11.020347
9.294602
11.674855
10.025674
9.773888
8.276162
9.068736
10.276878
9.193874
7.086187
6.382671
10.513082
8.203547
6.312335
6.263438
7.947678
11.098473
9.181971
8.051513
9.583498
7.884793
9.413496
8.894565
9.497172
10.189615
8.855423
9.514490
12.583313
7.223256
7.153384
7.189185
9.084053
7.709476
11.230268
9.082041
10.110523
8.185271
7.461423
8.381143
5.978468
10.230217
7.311871
8.410016
8.851103
7.720915
12.663503
10.415774
10.437651
11.183609
8.034600
7.577281
9.570604
5.866562
7.635623
7.678714
6.511003
8.542341
9.968255
9.226464
11.455690
7.133199
6.394649
7.309158
8.597207
8.876471
7.712135
10.590178
9.313313
7.428775
7.926560
5.882949
9.867785
4.772017
9.267355
11.124610
9.774037
7.081389
10.244951
8.658932
6.356456
10.642167
7.447310
8.973694
8.317652
8.273734
8.185348
7.791200
7.707079
9.128579
8.188143
11.565313
10.421362
10.515408
6.734808
8.889444
6.482407
11.736671
9.727906
7.654739
8.709476
10.146716
9.477629
5.772141
9.564915
9.103218
5.570136
5.745607
5.550562
8.924754
10.899757
7.025970
9.464788
7.047276
11.246196
10.089110
8.595793
8.443974
8.447355
9.949098
11.087948
7.005268
11.064126
10.064868
10.974236
8.641447
9.308649
8.483287
9.812936
4.387421
5.256861
10.081324
5.645364
6.675161
6.213205
7.276390
4.652139
9.954728
7.756355
6.244557
7.929495
5.288516
10.283654
11.137705
8.514927
6.135514
6.710507
9.357109
7.356221
8.576227
10.409293
4.749217
10.209942
9.234463
6.896464
8.379328
8.117941
7.297297
9.432134
11.522101
10.847480
8.394608
10.718345
9.114409
6.548902
7.028183
9.833997
8.568562
6.949997
10.170924
8.735153
7.762375
10.521182
6.847231
10.993126
6.280540
7.693193
7.515787
5.878841
10.096209
6.736065
11.164566
8.663313
11.323917
7.428965
5.848286
5.980187
10.123818
8.834726
5.628321
10.301720
7.797244
11.968749
9.312906
10.844325
8.599017
8.744896
10.028626
10.289865
11.655019
11.396466
8.339122
11.796136
8.027589
10.761925
11.571886
11.158666
11.829463
8.109134
10.376049
8.433363
9.677419
11.076754
8.532609
8.482437
10.499954
11.793817
10.350047
10.388623
9.866146
8.055666
9.021516
9.610157
11.213721
10.429273
9.317789
10.754723
8.350597
8.162114
11.990844
10.843471
11.605090
8.771996
9.263222
10.944304
9.998474
8.190924
10.780114
8.045778
11.817743
10.339183
9.394452
9.049348
11.959960
9.002960
10.164983
10.752525
8.426405
10.893643
11.940428
11.700430
8.339854
8.759301
8.902493
11.779046
9.859432
11.428327
9.447920
9.425703
8.369762
11.655751
11.778558
8.331431
9.319254
10.650594
9.578906
11.511216
8.079348
8.157109
11.154759
10.615314
11.205542
8.966338
9.406537
8.359142
11.468612
10.731651
10.015320
9.944639
11.036592
11.964721
11.212745
9.348308
9.179235
9.085360
10.513749
10.352245
8.870998
9.402264
11.784417
8.192389
10.667562
8.896512
8.020020
11.698355
8.230232
9.687429
9.210974
11.800531
9.875179
10.049989
10.667440
8.279916
8.519425
9.864803
11.181249
8.635273
8.401624
8.371105
8.398816
10.940886
10.950407
9.099765
8.779443
8.573504
8.176275
8.861110
11.514512
8.680441
9.962584
9.662526
11.783074
10.264840
9.629444
10.430616
10.718223
9.763237
10.145695
9.412763
9.459273
11.990844
11.365215
10.134098
10.664754
10.328074
8.660787
9.783624
8.861721
10.025208
11.332621
10.904874
9.006012
10.498123
11.163182
11.266701
10.627888
8.492447
9.497848
8.788598
8.938871
9.989319
9.222938
8.395764
10.275094
8.727805
8.016236
11.678701
9.250893
11.220679
11.248146
8.231819
8.998444
10.136052
8.903836
9.549242
11.868526
9.922788
10.905972
8.346690
9.966857
10.551347
9.209387
8.191168
10.902554
9.247963
9.044710
10.308176
8.120243
10.096255
9.686087
10.445143
11.196142
9.379315
9.115757
8.663594
9.466597
10.541459
8.963775
8.936552
8.371105
8.639668
10.095279
11.425153
11.878536
10.164861
11.220801
10.310129
10.375195
8.101932
8.906278
8.053224
11.390118
10.111148
11.355327
10.963591
8.528459
11.697501
8.340464
8.941923
9.994079
8.250862
9.657888
8.282601
10.070376
9.826106
10.480056
8.402356
8.938627
8.540422
11.982910
11.375469
8.206671
10.465041
11.619739
11.147801
11.524155
9.880795
11.420515
11.306253
9.656789
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10.688192
10.277291
11.399884
10.477004
11.468856
10.830287
11.699454
10.228462
11.170507
8.760887
10.361400
11.697989
10.705283
9.628468
8.720725
10.180120
8.529679
8.423719
9.647145
9.435102
8.959014
9.040925
8.260628
9.015778
11.129002
10.429884
10.735069
8.962798
10.982391
8.302133
8.559709
11.741569
10.652791
11.267556
9.639821
11.296609
11.622913
8.274789
9.605884
9.097568
10.029725
10.232734
8.709616
11.053316
9.681692
9.167150
8.853542
8.413953
9.923276
9.810236
8.152959
8.854152
11.410993
8.486221
10.305734
11.177099
9.686209
8.964385
11.760979
9.937803
9.305704
10.653157
9.576708
10.148259
11.128636
10.092227
10.265816
8.655660
10.813196
8.436781
11.788446
8.700095
9.901181
10.808313
11.069796
8.528214
10.862148
9.387616
11.415510
10.935026
9.472945
8.125614
10.200751
10.610920
11.910520
8.945952
9.207556
10.169256
9.927427
9.314371
11.985717
9.727592
9.491623
11.051607
10.611286
8.918485
10.259590
10.261299
10.221015
10.206000
11.261696
8.252937
9.691702
10.381054
8.173223
9.329264
10.845790
9.111606
9.546190
9.317301
10.554277
9.423017
9.377361
8.716575
8.112918
10.982025
11.387066
10.339061
10.267281
11.062105
10.383374
11.316630
10.261055
10.061342
10.088931
9.350017
11.282937
8.452162
10.801477
9.076449
10.686605
8.034425
10.267037
8.427870
11.359600
8.368175
11.138157
10.857265
8.615375
11.261940
10.393384
11.306619
10.983978
8.189581
8.092532
9.792779
11.275246
11.513535
10.843593
8.485000
10.292306
8.385388
11.353984
10.149480
9.566576
10.203558
11.444319
9.836482
11.492782
8.498306
9.897763
9.684988
11.235817
10.124210
10.519486
8.718406
10.787317
10.629353
11.783197
9.508469
11.545640
10.680990
9.437544
9.581225
11.793329
10.421461
9.449629
11.439436
9.448408
10.626301
10.658284
11.078097
8.465224
11.544908
10.513993
10.866909
9.256874
10.293893
9.279580
8.674215
9.517380
11.681143
10.066958
9.109531
11.816889
9.333903
10.084536
8.756371
8.344859
8.007080
8.470595
9.274209
11.178442
11.946409
10.088076
10.241646
10.445997
10.179876
10.654500
11.616199
8.768090
11.616199
10.583819
9.687674
10.343822
8.820582
10.913175
8.397473
9.061312
11.347148
10.691366
9.901303
10.008118
11.499496
11.202734
10.247383
8.752953
11.396710
10.402539
8.048463
10.777551
10.219428
8.937773
8.020631
11.430647
8.509781
11.129002
11.263527
10.781213
8.401379
10.288278
10.158269
11.745354
10.654012
9.748222
11.758049
11.860591
11.367779
8.976348
11.545152
9.084384
11.252785
10.151311
9.430708
11.991333
8.327158
10.573565
9.871029
10.742637
10.921110
8.289071
9.976867
11.205420
9.859188
10.297067
9.489059
8.594378
10.698813
10.719565
10.497391
11.012787
8.897732
8.307016
8.775414
9.265664
8.785791
10.654378
8.608417
11.323222
9.216834
10.503494
10.988372
9.805597
8.775536
9.506027
11.050508
8.868191
9.413739
10.823084
10.628010
10.858852
11.390606
11.934446
9.798151
9.123325
10.393872
11.035615
11.295633
11.336650
9.715384
10.393994
9.668996
11.729362
10.355419
10.041810
11.052828
8.589740
11.932493
11.180395
11.433454
9.414106
11.273049
10.669271
11.280984
8.079470
11.555284
9.977355
10.423902
8.415418
8.882717
11.969726
9.040803
10.549883
9.163244
8.904080
10.644124
10.401807
0.545853	# Label of molecule (37)
4	# Number of Instances of molecule (38)
10.616570
9.046791
9.528605
10.574838
12.260469
8.979225
11.328800
9.211943
10.480223
8.732991
8.714007
9.865899
9.528610
9.923035
12.523029
10.420208
11.715497
11.355259
11.887035
11.447795
12.030191
8.622578
10.722537
9.359818
9.479522
12.328601
10.465011
9.732209
10.661101
11.588628
12.037814
11.720683
11.995423
10.933950
11.705140
10.743865
10.088279
9.874213
9.245384
11.786343
9.789021
10.344101
12.243762
8.593247
9.412109
12.416797
11.362365
9.999147
11.534168
11.227273
12.760656
8.533588
9.527625
11.557650
8.991336
10.745847
8.620433
12.330497
9.611192
8.280437
10.083048
12.019815
8.372971
6.671399
9.877499
8.921339
7.334320
7.793078
8.644048
8.210758
9.061079
7.148184
7.074682
7.009981
5.741865
7.781781
9.169451
8.990040
6.326641
7.823715
9.728840
8.826207
9.263454
8.064509
9.455503
8.258668
10.934545
5.959873
8.527904
7.735242
9.669988
11.074248
12.005909
6.749675
10.685329
9.031780
11.478875
9.819588
9.018054
8.458625
7.359179
9.633661
8.413495
10.371802
9.752638
6.460364
8.215622
8.186776
11.314106
9.244843
9.840728
10.192994
7.057864
10.301885
8.335948
8.431354
8.182418
10.742230
10.555854
9.596135
7.603447
7.800818
6.367579
8.365966
8.237438
11.825494
10.775959
10.122073
7.707798
8.355851
8.293585
8.672781
9.383902
6.554198
8.556617
10.715430
10.681009
9.587435
8.836900
9.982966
10.503262
8.865671
8.532138
10.770420
6.698782
10.327426
9.986303
8.318616
11.415489
10.253768
9.165483
6.553674
7.532958
8.914399
8.614307
6.720283
9.000192
11.126371
7.452255
8.563286
11.279463
6.192370
11.040553
7.973860
9.078620
8.187122
7.375848
9.339600
7.978554
7.741832
9.910764
8.803579
9.195979
10.439214
6.832013
7.200991
10.569426
11.718913
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10.326121
0.521195	# Label of molecule (38)
4	# Number of Instances of molecule (39)
10.475621
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0.540970	# Label of molecule (39)
4	# Number of Instances of molecule (40)
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9.024934
0.537296	# Label of molecule (40)
5	# Number of Instances of molecule (41)
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9.370159
0.530164	# Label of molecule (41)
5	# Number of Instances of molecule (42)
10.616435
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9.395550
0.574961	# Label of molecule (42)
3	# Number of Instances of molecule (43)
10.371009
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0.541651	# Label of molecule (43)
5	# Number of Instances of molecule (44)
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9.402875
0.538170	# Label of molecule (44)
4	# Number of Instances of molecule (45)
10.590241
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0.573674	# Label of molecule (45)
5	# Number of Instances of molecule (46)
10.657965
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