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Supplier information; Representations
Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
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43932035
 
#1

UORSY Make-on-demand: PB899250456
PubChem: 60596301, 52196033
AKOS (make-on-demand): AKOS008864851
ref: mol2, SDF, SMILES, flexibase
5.03,7.79,-42.24,3,6,1, 396.577, 8
mid: mol2, SDF, SMILES, flexibase
5.03,6.17,-6.36,2,6,0, 395.569, 8

Similar to: 43932038, 43932041, 43932044, 60142993, 60142994, ... 7 in total.
72043367
 
#2

UORSY Make-on-demand: PB899250452
PubChem: 60596272
AKOS (make-on-demand): AKOS008864811
ref: mol2, SDF, SMILES, flexibase
3.81,8.83,-42.4,3,6,1, 416.567, 9
hi: mol2, SDF, SMILES, flexibase
3.81,6.52,-9.22,2,6,0, 415.559, 9
72043366
 
#3

UORSY Make-on-demand: PB899250452
PubChem: 60596272
AKOS (make-on-demand): AKOS008864811
ref: mol2, SDF, SMILES, flexibase
3.81,9.23,-41.91,3,6,1, 416.567, 9
hi: mol2, SDF, SMILES, flexibase
3.81,7.21,-7.85,2,6,0, 415.559, 9
72043336
 
#4

UORSY Make-on-demand: PB899230438
PubChem: 60596051
AKOS (make-on-demand): AKOS008864474
ref: mol2, SDF, SMILES, flexibase
3.44,9.4,-18.15,0,8,0, 431.514, 6

Similar to: 8380182, 8380184,
72043335
 
#5

UORSY Make-on-demand: PB899230430
PubChem: 60596050
AKOS (make-on-demand): AKOS008864473
ref: mol2, SDF, SMILES, flexibase
2.54,7.5,-17.75,0,8,0, 472.292, 4
72043334
 
#6

UORSY Make-on-demand: PB899230428
PubChem: 60596432
AKOS (make-on-demand): AKOS008865044
ref: mol2, SDF, SMILES, flexibase
2.63,7.89,-19.07,0,8,0, 461.393, 5
60142379
 
#7

UORSY Make-on-demand: PB899229160
PubChem: 60596321, 52774886
AKOS (make-on-demand): AKOS008864884
ref: mol2, SDF, SMILES, flexibase
3.32,10.15,-45.89,2,6,1, 390.548, 8
mid: mol2, SDF, SMILES, flexibase
3.32,8.09,-11.65,1,6,0, 389.54, 8
60142375
 
#8

UORSY Make-on-demand: PB899229160
PubChem: 60596321, 52774884
AKOS (make-on-demand): AKOS008864884
ref: mol2, SDF, SMILES, flexibase
3.32,10.13,-44.77,2,6,1, 390.548, 8
mid: mol2, SDF, SMILES, flexibase
3.32,7.6,-10.81,1,6,0, 389.54, 8
72043325
 
#9

UORSY Make-on-demand: PB899226944
PubChem: 60596218
AKOS (make-on-demand): AKOS008864734
ref: mol2, SDF, SMILES, flexibase
5.54,9.05,-49.94,1,6,-1, 471.986, 8
mid: mol2, SDF, SMILES, flexibase
5.54,8.54,-13.99,2,6,0, 472.994, 8

Similar to: 15897811, 15897812, 15897916, 15897919, 15898051, ... 7 in total.
67124894
 
#10

UORSY Make-on-demand: PB899204660
PubChem: 60596643
AKOS (make-on-demand): AKOS008865297
ref: mol2, SDF, SMILES, flexibase
3.26,5.92,-102.83,0,6,-2, 378.768, 4
mid: mol2, SDF, SMILES, flexibase
3.26,5.9,-51.77,1,6,-1, 379.776, 4

Similar to: 55648394,
72043248
 
#11

UORSY Make-on-demand: PB899204594
PubChem: 60596614
AKOS (make-on-demand): AKOS008865266
ref: mol2, SDF, SMILES, flexibase
4.63,8.58,-54.11,1,5,-1, 386.836, 5
mid: mol2, SDF, SMILES, flexibase
4.63,9.28,-109.84,0,5,-2, 385.828, 5
72043246
 
#12

UORSY Make-on-demand: PB899203938
PubChem: 60596583
AKOS (make-on-demand): AKOS008865235
ref: mol2, SDF, SMILES, flexibase
3.87,6.47,-96.97,0,5,-2, 395.717, 5
mid: mol2, SDF, SMILES, flexibase
3.87,6.46,-46.87,1,5,-1, 396.725, 5
72043245
 
#13

UORSY Make-on-demand: PB899203930
PubChem: 56151307
AKOS (make-on-demand): AKOS007483205
ref: mol2, SDF, SMILES, flexibase
3.81,6.51,-112.17,0,6,-2, 412.32, 5
lo: mol2, SDF, SMILES, flexibase
3.81,6.5,-53.6,1,6,-1, 413.328, 5
57782124
 
#14

UORSY Make-on-demand: PB89916151
PubChem: 52473913
ref: mol2, SDF, SMILES, flexibase
3.92,14.46,-37.03,1,5,1, 395.552, 9
mid: mol2, SDF, SMILES, flexibase
3.92,12.05,-10.64,0,5,0, 394.544, 9
72043145
 
#15

UORSY Make-on-demand: PB899066518
PubChem: 56150974
AKOS (make-on-demand): AKOS007482865
ref: mol2, SDF, SMILES, flexibase
3.68,11.2,-24.2,1,8,0, 436.321, 5
5320190
 
#16

UORSY Make-on-demand: PB89904492
PubChem: 7630339
ref: mol2, SDF, SMILES, flexibase
3.90,8.05,-20.85,2,7,0, 375.429, 6

Similar to: 8332100, 23430635,
72043015
 
#17

UORSY Make-on-demand: PB898937866
PubChem: 60596518
AKOS (make-on-demand): AKOS008865154
ref: mol2, SDF, SMILES, flexibase
5.25,12.48,-12.33,1,6,0, 393.468, 4
72043014
 
#18

UORSY Make-on-demand: PB898937866
PubChem: 60596518
AKOS (make-on-demand): AKOS008865154
ref: mol2, SDF, SMILES, flexibase
5.25,12.48,-12.37,1,6,0, 393.468, 4
72043001
 
#19

UORSY Make-on-demand: PB898937050
PubChem: 60596880
AKOS (make-on-demand): AKOS008865573
ref: mol2, SDF, SMILES, flexibase
4.85,12.36,-21.46,1,7,0, 409.467, 6
72043000
 
#20

UORSY Make-on-demand: PB898937050
PubChem: 60596880
AKOS (make-on-demand): AKOS008865573
ref: mol2, SDF, SMILES, flexibase
4.85,12.36,-21.45,1,7,0, 409.467, 6
72042995
 
#21

UORSY Make-on-demand: PB898936784
PubChem: 60596828
AKOS (make-on-demand): AKOS008865509
ref: mol2, SDF, SMILES, flexibase
5.48,12.33,-15.89,1,6,0, 413.886, 4
72042994
 
#22

UORSY Make-on-demand: PB898936784
PubChem: 60596828
AKOS (make-on-demand): AKOS008865509
ref: mol2, SDF, SMILES, flexibase
5.48,12.33,-15.9,1,6,0, 413.886, 4
67067734
 
#23

UORSY Make-on-demand: PB898936726
PubChem: 60596768
AKOS (make-on-demand): AKOS008865440
ref: mol2, SDF, SMILES, flexibase
4.83,12.46,-23.28,1,6,0, 379.441, 4
67067733
 
#24

UORSY Make-on-demand: PB898936726
PubChem: 60596768
AKOS (make-on-demand): AKOS008865440
ref: mol2, SDF, SMILES, flexibase
4.83,12.46,-23.28,1,6,0, 379.441, 4
72042987
 
#25

UORSY Make-on-demand: PB898936668
PubChem: 60596767
AKOS (make-on-demand): AKOS008865439
ref: mol2, SDF, SMILES, flexibase
4.86,11.9,-23.32,1,7,0, 409.467, 5
72042986
 
#26

UORSY Make-on-demand: PB898936668
PubChem: 60596767
AKOS (make-on-demand): AKOS008865439
ref: mol2, SDF, SMILES, flexibase
4.86,11.9,-23.34,1,7,0, 409.467, 5
72042979
 
#27

UORSY Make-on-demand: PB898920210
PubChem: 60596683
AKOS (make-on-demand): AKOS008865344
ref: mol2, SDF, SMILES, flexibase
3.09,5.92,-20.23,2,8,0, 405.476, 9
72042978
 
#28

UORSY Make-on-demand: PB898920202
PubChem: 60596657
AKOS (make-on-demand): AKOS008865314
ref: mol2, SDF, SMILES, flexibase
2.66,4.34,-23.83,2,8,0, 446.254, 7
72042977
 
#29

UORSY Make-on-demand: PB898920200
PubChem: 60596656
AKOS (make-on-demand): AKOS008865313
ref: mol2, SDF, SMILES, flexibase
2.75,4.72,-25.43,2,8,0, 435.355, 8
67055685
 
#30

UORSY Make-on-demand: PB898866826
PubChem: 60596487
AKOS (make-on-demand): AKOS008865117
ref: mol2, SDF, SMILES, flexibase
4.33,9.94,-9.25,1,6,0, 379.21, 4
72042971
 
#31

UORSY Make-on-demand: PB898864100
PubChem: 60596461
AKOS (make-on-demand): AKOS008865083
ref: mol2, SDF, SMILES, flexibase
3.82,13.62,-14.65,0,7,0, 382.416, 6

Similar to: 8447193, 8447194, 8447687, 8447688, 8449047, ... 8 in total.
72042970
 
#32

UORSY Make-on-demand: PB898864100
PubChem: 60596461
AKOS (make-on-demand): AKOS008865083
ref: mol2, SDF, SMILES, flexibase
3.82,13.63,-14.65,0,7,0, 382.416, 6

Similar to: 8447193, 8447194, 8447687, 8447688, 8449047, ... 8 in total.
67054415
 
#33

UORSY Make-on-demand: PB898854494
PubChem: 60596826
AKOS (make-on-demand): AKOS008865506
ref: mol2, SDF, SMILES, flexibase
1.95,7.36,-17.86,1,8,0, 369.377, 4
72042960
 
#34

UORSY Make-on-demand: PB898846366
PubChem: 60596682
AKOS (make-on-demand): AKOS008865343
ref: mol2, SDF, SMILES, flexibase
4.84,11.46,-18.28,1,8,0, 435.823, 4

Similar to: 34933246, 34933252,
72042956
 
#35

UORSY Make-on-demand: PB898841144
PubChem: 60596654
AKOS (make-on-demand): AKOS008865311
ref: mol2, SDF, SMILES, flexibase
4.03,9.08,-9.14,1,7,0, 435.883, 6
lo: mol2, SDF, SMILES, flexibase
4.03,10.62,-35.51,2,7,1, 436.891, 6
72042955
 
#36

UORSY Make-on-demand: PB898841144
PubChem: 60596654
AKOS (make-on-demand): AKOS008865311
ref: mol2, SDF, SMILES, flexibase
4.03,7.3,-9.31,1,7,0, 435.883, 6
lo: mol2, SDF, SMILES, flexibase
4.03,10.62,-35.61,2,7,1, 436.891, 6
72042953
 
#37

UORSY Make-on-demand: PB898838728
PubChem: 60596627
AKOS (make-on-demand): AKOS008865280
ref: mol2, SDF, SMILES, flexibase
5.04,11.19,-12.8,2,7,0, 461.371, 6
67052409
 
#38

UORSY Make-on-demand: PB898832410
PubChem: 60596542
AKOS (make-on-demand): AKOS008865185
ref: mol2, SDF, SMILES, flexibase
3.90,9.75,-12.88,1,7,0, 369.402, 5

Similar to: 15637405, 9804593,
72042946
 
#39

UORSY Make-on-demand: PB898826622
PubChem: 60596486
AKOS (make-on-demand): AKOS008865115
ref: mol2, SDF, SMILES, flexibase
4.86,9.94,-9.99,0,6,0, 380.322, 4

Similar to: 10541846, 10542047,
72042945
 
#40

UORSY Make-on-demand: PB898823222
PubChem: 60596485
AKOS (make-on-demand): AKOS008865114
ref: mol2, SDF, SMILES, flexibase
4.15,8.23,-9.85,2,8,0, 389.383, 6

Similar to: 42571817,
72042935
 
#41

UORSY Make-on-demand: PB898813454
PubChem: 60596793
AKOS (make-on-demand): AKOS008865468
ref: mol2, SDF, SMILES, flexibase
2.59,10.39,-14.03,0,7,0, 421.375, 4

Similar to: 15767419,
72042934
 
#42

UORSY Make-on-demand: PB898780334
PubChem: 60596737
AKOS (make-on-demand): AKOS008865404
ref: mol2, SDF, SMILES, flexibase
3.72,10.37,-8.92,0,6,0, 387.867, 4
lo: mol2, SDF, SMILES, flexibase
3.72,12.12,-45.52,1,6,1, 388.875, 4
72042933
 
#43

UORSY Make-on-demand: PB898780334
PubChem: 60596737
AKOS (make-on-demand): AKOS008865404
ref: mol2, SDF, SMILES, flexibase
3.72,10.56,-8.66,0,6,0, 387.867, 4
lo: mol2, SDF, SMILES, flexibase
3.72,12.04,-45.29,1,6,1, 388.875, 4
67035242
 
#44

UORSY Make-on-demand: PB898778658
PubChem: 60596680
AKOS (make-on-demand): AKOS008865341
ref: mol2, SDF, SMILES, flexibase
1.75,8.68,-14.5,0,8,0, 383.404, 4

Similar to: 10104169, 30661647,
67035235
 
#45

UORSY Make-on-demand: PB898778592
PubChem: 60596652
AKOS (make-on-demand): AKOS008865309
ref: mol2, SDF, SMILES, flexibase
1.73,8.68,-16.46,0,8,0, 383.404, 4
72042926
 
#46

UORSY Make-on-demand: PB898777946
PubChem: 60596595
AKOS (make-on-demand): AKOS008865247
ref: mol2, SDF, SMILES, flexibase
2.98,10.41,-12.23,0,7,0, 422.268, 3
67034304
 
#47

UORSY Make-on-demand: PB898765282
PubChem: 60596512
AKOS (make-on-demand): AKOS008865146
ref: mol2, SDF, SMILES, flexibase
1.93,7.68,-13.02,1,8,0, 369.377, 4

Similar to: 27971981, 27976604,
72042916
 
#48

UORSY Make-on-demand: PB898757666
PubChem: 60596822
AKOS (make-on-demand): AKOS008865502
ref: mol2, SDF, SMILES, flexibase
4.82,13.05,-42.33,2,6,1, 382.484, 6
hi: mol2, SDF, SMILES, flexibase
4.82,10.7,-6.69,1,6,0, 381.476, 6
67032385
 
#49

UORSY Make-on-demand: PB898753938
PubChem: 60596705
AKOS (make-on-demand): AKOS008865369
ref: mol2, SDF, SMILES, flexibase
3.71,11.03,-13.45,1,8,0, 377.404, 4
72042907
 
#50

UORSY Make-on-demand: PB898753602
PubChem: 60596651
AKOS (make-on-demand): AKOS008865308
ref: mol2, SDF, SMILES, flexibase
3.92,9.83,-12.39,1,7,0, 381.413, 4
72042904
 
#51

UORSY Make-on-demand: PB898753378
PubChem: 60596624
AKOS (make-on-demand): AKOS008865276
ref: mol2, SDF, SMILES, flexibase
4.87,8.66,-14.48,1,7,0, 373.368, 4
72042903
 
#52

UORSY Make-on-demand: PB898753030
PubChem: 60596593
AKOS (make-on-demand): AKOS008865245
ref: mol2, SDF, SMILES, flexibase
4.53,13.43,-14.71,0,8,0, 439.493, 8
72042893
 
#53

UORSY Make-on-demand: PB898749692
PubChem: 60596454
AKOS (make-on-demand): AKOS008865076
ref: mol2, SDF, SMILES, flexibase
4.84,12.3,-17.48,1,7,0, 443.381, 4
72042889
 
#54

UORSY Make-on-demand: PB898746846
PubChem: 60596845
AKOS (make-on-demand): AKOS008865531
ref: mol2, SDF, SMILES, flexibase
4.09,11.01,-11.66,1,7,0, 415.247, 5
72042887
 
#55

UORSY Make-on-demand: PB898745472
PubChem: 60596790
AKOS (make-on-demand): AKOS008865465
ref: mol2, SDF, SMILES, flexibase
4.59,11.34,-13.17,1,7,0, 405.241, 5
67031768
 
#56

UORSY Make-on-demand: PB898745434
PubChem: 60596789
AKOS (make-on-demand): AKOS008865464
ref: mol2, SDF, SMILES, flexibase
3.15,9.69,-15.37,1,9,0, 396.403, 7
72042886
 
#57

UORSY Make-on-demand: PB898745224
PubChem: 60596761
AKOS (make-on-demand): AKOS008865431
ref: mol2, SDF, SMILES, flexibase
3.61,9.3,-15.69,0,8,0, 429.498, 4
72042884
 
#58

UORSY Make-on-demand: PB898742322
PubChem: 60596704
AKOS (make-on-demand): AKOS008865368
ref: mol2, SDF, SMILES, flexibase
3.92,10.77,-11.81,1,7,0, 390.321, 5

Similar to: 15640409, 15640410, 15640417, 15640421, 15640477, ... 10 in total.
72042881
 
#59

UORSY Make-on-demand: PB898741358
PubChem: 60596676
AKOS (make-on-demand): AKOS008865336
ref: mol2, SDF, SMILES, flexibase
4.34,11.21,-12.45,1,8,0, 411.439, 7
72042879
 
#60

UORSY Make-on-demand: PB898740480
PubChem: 60596649
AKOS (make-on-demand): AKOS008865306
ref: mol2, SDF, SMILES, flexibase
4.73,10.14,-14.25,1,7,0, 419.409, 6
72042873
 
#61

UORSY Make-on-demand: PB898739272
PubChem: 60596534
AKOS (make-on-demand): AKOS008865177
ref: mol2, SDF, SMILES, flexibase
4.83,12.2,-14.57,2,8,0, 473.529, 9
72042872
 
#62

UORSY Make-on-demand: PB898739272
PubChem: 60596534
AKOS (make-on-demand): AKOS008865177
ref: mol2, SDF, SMILES, flexibase
4.83,12.21,-14.57,2,8,0, 473.529, 9
72042859
 
#63

UORSY Make-on-demand: PB898733092
PubChem: 60596759
AKOS (make-on-demand): AKOS008865429
ref: mol2, SDF, SMILES, flexibase
5.05,13.32,-12.7,1,7,0, 463.559, 5
72042853
 
#64

UORSY Make-on-demand: PB898727184
PubChem: 60596478
AKOS (make-on-demand): AKOS008865106
ref: mol2, SDF, SMILES, flexibase
4.03,10.8,-53.53,2,6,1, 402.902, 4
mid: mol2, SDF, SMILES, flexibase
4.03,8.59,-11.66,1,6,0, 401.894, 4
72042852
 
#65

UORSY Make-on-demand: PB898727182
PubChem: 60596451
AKOS (make-on-demand): AKOS008865073
ref: mol2, SDF, SMILES, flexibase
4.14,12.02,-44.79,2,7,1, 403.89, 5
mid: mol2, SDF, SMILES, flexibase
4.14,9.79,-7.06,1,7,0, 402.882, 5
67026009
 
#66

UORSY Make-on-demand: PB898720138
PubChem: 60596617
AKOS (make-on-demand): AKOS008865269
ref: mol2, SDF, SMILES, flexibase
3.15,7.26,-14.01,1,8,0, 391.449, 6
72042826
 
#67

UORSY Make-on-demand: PB898719152
PubChem: 60596560
AKOS (make-on-demand): AKOS008865207
ref: mol2, SDF, SMILES, flexibase
3.98,10.88,-12.98,1,8,0, 465.531, 5
21870844
 
#68

UORSY Make-on-demand: PB28267341
PubChem: 43001724, 29840712
AKOS (make-on-demand): AKOS008481188
ref: mol2, SDF, SMILES, flexibase
2.57,8.36,-22.05,1,4,0, 320.458, 5

Similar to: 8160117, 8160128, 8160137, 8160144, 7654517, ... 6 in total.
21870841
 
#69

UORSY Make-on-demand: PB28267341
PubChem: 43001724, 29840710
AKOS (make-on-demand): AKOS008481188
ref: mol2, SDF, SMILES, flexibase
2.57,8.36,-22.04,1,4,0, 320.458, 5

Similar to: 8160117, 8160128, 8160137, 8160144, 7654517, ... 5 in total.
72042824
 
#70

UORSY Make-on-demand: PB898718262
PubChem: 60596504
AKOS (make-on-demand): AKOS008865138
ref: mol2, SDF, SMILES, flexibase
4.38,9.13,-13.57,1,8,0, 431.514, 6
72042823
 
#71

UORSY Make-on-demand: PB898718242
PubChem: 60596477
AKOS (make-on-demand): AKOS008865105
ref: mol2, SDF, SMILES, flexibase
3.63,8.47,-13.95,1,8,0, 417.487, 5
72042822
 
#72

UORSY Make-on-demand: PB898718242
PubChem: 60596477
AKOS (make-on-demand): AKOS008865105
ref: mol2, SDF, SMILES, flexibase
3.63,8.45,-13.46,1,8,0, 417.487, 5
72042813
 
#73

UORSY Make-on-demand: PB898715968
PubChem: 60596816
AKOS (make-on-demand): AKOS008865495
ref: mol2, SDF, SMILES, flexibase
3.88,9.82,-15.45,1,8,0, 439.493, 7
45026303
 
#74

UORSY Make-on-demand: PB328755864
PubChem: 47159288
AKOS (make-on-demand): AKOS008598353
ref: mol2, SDF, SMILES, flexibase
2.14,8.67,-15.63,2,7,0, 307.77, 2
45025055
 
#75

UORSY Make-on-demand: PB328719604
PubChem: 47159152
AKOS (make-on-demand): AKOS008598221
Enamine BB Make on Demand: BBV-43562887
UORSY BB Make-on-demand: BBV-43562887...5 total

ref: mol2, SDF, SMILES, flexibase
1.64,2.62,-6.06,2,5,0, 222.635, 2
48434160
 
#76

UORSY Make-on-demand: PB327325868
PubChem: 47158958
AKOS (make-on-demand): AKOS008595940
Enamine BB Make on Demand: BBV-43562767
UORSY BB Make-on-demand: BBV-43562767...5 total

ref: mol2, SDF, SMILES, flexibase
3.92,7.84,-4.95,2,3,0, 265.769, 2
46581601
 
#77

UORSY Make-on-demand: PB324717988
PubChem: 52241115, 46572974
AKOS (make-on-demand): AKOS008592288
ref: mol2, SDF, SMILES, flexibase
4.45,12.24,-13.64,0,4,0, 415.543, 6
46581599
 
#78

UORSY Make-on-demand: PB324717988
PubChem: 52241114, 46572974
AKOS (make-on-demand): AKOS008592288
ref: mol2, SDF, SMILES, flexibase
4.45,12.25,-13.68,0,4,0, 415.543, 6
46582152
 
#79

UORSY Make-on-demand: PB324706550
PubChem: 52241133, 46573181
AKOS (make-on-demand): AKOS008592486
ref: mol2, SDF, SMILES, flexibase
3.98,10.82,-14.24,0,4,0, 407.545, 6

Similar to: 7748067, 7748080,
46582150
 
#80

UORSY Make-on-demand: PB324706550
PubChem: 52241132, 46573181
AKOS (make-on-demand): AKOS008592486
ref: mol2, SDF, SMILES, flexibase
3.98,10.82,-14.17,0,4,0, 407.545, 6

Similar to: 7748067, 7748080,
46569006
 
#81

UORSY Make-on-demand: PB319646462
PubChem: 46567240
AKOS (make-on-demand): AKOS008584052
ref: mol2, SDF, SMILES, flexibase
4.10,7.83,-18.17,0,4,0, 392.274, 3
46568304
 
#82

UORSY Make-on-demand: PB319635164
PubChem: 46566855
AKOS (make-on-demand): AKOS008583533
ref: mol2, SDF, SMILES, flexibase
3.31,5.34,-17.41,1,5,0, 384.251, 4
46568234
 
#83

UORSY Make-on-demand: PB319632172
PubChem: 46566804
AKOS (make-on-demand): AKOS008583678
ref: mol2, SDF, SMILES, flexibase
4.12,5.74,-11.92,0,4,0, 357.225, 4
48433511
 
#84

UORSY Make-on-demand: PB319629700
PubChem: 47157189
AKOS (make-on-demand): AKOS008584046
ref: mol2, SDF, SMILES, flexibase
4.86,7.4,-8.81,0,3,0, 379.634, 3
46568429
 
#85

UORSY Make-on-demand: PB319628040
PubChem: 46566911
AKOS (make-on-demand): AKOS008583935
ref: mol2, SDF, SMILES, flexibase
4.63,8.9,-13.39,0,5,0, 356.399, 5
46568381
 
#86

UORSY Make-on-demand: PB319626786
PubChem: 46566886
AKOS (make-on-demand): AKOS008583675
ref: mol2, SDF, SMILES, flexibase
3.45,6.61,-12.89,0,5,0, 306.339, 5
43767981
 
#87

UORSY Make-on-demand: PB319625884
PubChem: 46604343
AKOS (make-on-demand): AKOS008583567
ref: mol2, SDF, SMILES, flexibase
4.05,7.22,-17.68,0,4,0, 378.247, 3
58659028
 
#88

UORSY Make-on-demand: PB317531750
PubChem: 52567190
AKOS (make-on-demand): AKOS008577726
ref: mol2, SDF, SMILES, flexibase
4.01,10.5,-15.74,2,6,0, 426.538, 9
28239951
 
#89

UORSY Make-on-demand: PB317531662
ref: mol2, SDF, SMILES, flexibase
3.26,4.35,-12.39,3,7,0, 386.227, 4
mid: mol2, SDF, SMILES, flexibase
3.26,4.43,-40.78,2,7,-1, 385.219, 4

Similar to: 26544259,
58659023
 
#90

UORSY Make-on-demand: PB317531006
PubChem: 52567189
AKOS (make-on-demand): AKOS008577629
ref: mol2, SDF, SMILES, flexibase
4.34,9.5,-15.3,2,5,0, 429.954, 6
58658895
 
#91

UORSY Make-on-demand: PB317515114
PubChem: 52567176
AKOS (make-on-demand): AKOS008577913
ref: mol2, SDF, SMILES, flexibase
4.24,9.31,-19.62,2,5,0, 397.887, 5
58658862
 
#92

UORSY Make-on-demand: PB317509604
PubChem: 52567169
AKOS (make-on-demand): AKOS008577947
ref: mol2, SDF, SMILES, flexibase
4.27,10.16,-8.08,0,4,0, 314.381, 8
58658843
 
#93

UORSY Make-on-demand: PB317499962
PubChem: 52567163
AKOS (make-on-demand): AKOS008577813
ref: mol2, SDF, SMILES, flexibase
4.76,10.54,-18.1,2,5,0, 398.462, 7

Similar to: 44666970,
28193332
 
#94

UORSY Make-on-demand: PB317495982
PubChem: 35503933
AKOS (make-on-demand): AKOS008578008
ref: mol2, SDF, SMILES, flexibase
3.99,9.01,-18.97,2,6,0, 407.495, 7
60381072
 
#95

UORSY Make-on-demand: PB1102118881
PubChem: 52886302
AKOS (make-on-demand): AKOS008191597
ref: mol2, SDF, SMILES, flexibase
4.49,6.74,-51.89,0,5,-1, 437.872, 6
lo: mol2, SDF, SMILES, flexibase
4.49,6.26,-13.48,1,5,0, 438.88, 6
60380603
 
#96

UORSY Make-on-demand: PB1100067961
PubChem: 52885778
AKOS (make-on-demand): AKOS008188612
ref: mol2, SDF, SMILES, flexibase
4.20,10.21,-15.53,2,6,0, 470.569, 8
60380578
 
#97

UORSY Make-on-demand: PB1099015257
PubChem: 52885753
AKOS (make-on-demand): AKOS008189950
ref: mol2, SDF, SMILES, flexibase
1.99,4.74,-22.25,2,6,0, 359.879, 5
60380240
 
#98

UORSY Make-on-demand: PB1097099368
PubChem: 60240513
AKOS (make-on-demand): AKOS008186785
ref: mol2, SDF, SMILES, flexibase
3.12,15.2,-19.93,0,9,0, 404.43, 4
60380239
 
#99

UORSY Make-on-demand: PB1097099368
PubChem: 60240513
AKOS (make-on-demand): AKOS008186785
ref: mol2, SDF, SMILES, flexibase
3.12,14.59,-19.29,0,9,0, 404.43, 4
58656482
 
#100

UORSY Make-on-demand: PB316356238
PubChem: 52566753
AKOS (make-on-demand): AKOS008573574
ref: mol2, SDF, SMILES, flexibase
4.78,11.77,-10.5,0,4,0, 353.491, 8

Similar to: 27813211,

Old detail retrieval took 1 seconds.

start 0 size 100

select distinct(s.sub_id),s.smiles from substance s, catalog_item ci, catalog c where s.sub_id = ci.sub_id_fk and ci.cat_id_fk = c.cat_id and c.free=1 and ( c.cat_id = 664 ) limit 0,100

Smiles were