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

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98369417
 
#1

SynInnova Labs BB: SL-446
ref: mol2, SDF, SMILES, flexibase
2.09,5.47,-29.97,5,9,0, 507.701, 18
98369416
 
#2

SynInnova Labs BB: SL-445
ref: mol2, SDF, SMILES, flexibase
1.43,3.97,-24.09,4,7,0, 394.541, 12
98369415
 
#3

SynInnova Labs BB: SL-444
ref: mol2, SDF, SMILES, flexibase
0.93,3.19,-26.74,4,7,0, 380.514, 11
98369414
 
#4

Molport BB: MolPort-035-943-068
SynInnova Labs BB: SL-443
ref: mol2, SDF, SMILES, flexibase
0.78,2.48,-18.31,3,5,0, 281.381, 6
98369413
 
#5

SynInnova Labs BB: SL-436
ref: mol2, SDF, SMILES, flexibase
1.30,-1.27,-22.14,3,9,0, 356.452, 11
98369412
 
#6

SynInnova Labs BB: SL-434
ref: mol2, SDF, SMILES, flexibase
2.87,1.73,-20.44,3,8,0, 368.507, 12
98369411
 
#7

SynInnova Labs BB: SL-433
ref: mol2, SDF, SMILES, flexibase
1.59,-0.61,-19.32,3,8,0, 326.426, 9
98369410
 
#8

SynInnova Labs BB: SL-430
ref: mol2, SDF, SMILES, flexibase
2.35,5.17,-27.41,6,8,0, 441.642, 16
98369409
 
#9

Molport BB: MolPort-039-063-285
SynInnova Labs BB: SL-429
ref: mol2, SDF, SMILES, flexibase
3.94,8.91,-62.19,3,7,-1, 426.603, 16
lo: mol2, SDF, SMILES, flexibase
3.94,6.93,-23.7,4,7,0, 427.611, 16
98369408
 
#10

SynInnova Labs BB: SL-420
ref: mol2, SDF, SMILES, flexibase
5.37,12.89,-22.69,4,10,0, 507.676, 22
98369407
 
#11

SynInnova Labs BB: SL-420
ref: mol2, SDF, SMILES, flexibase
5.37,12.89,-22.66,4,10,0, 507.676, 22
98369406
 
#12

SynInnova Labs BB: SL-419
ref: mol2, SDF, SMILES, flexibase
-0.33,5.11,-33.44,5,12,0, 451.509, 11
98369405
 
#13

SynInnova Labs BB: SL-378
ref: mol2, SDF, SMILES, flexibase
3.44,8.51,-32.49,3,8,0, 498.82, 6
98369404
 
#14

SynInnova Labs BB: SL-373
ref: mol2, SDF, SMILES, flexibase
3.94,6.67,-8.55,0,5,0, 379.185, 4
98369403
 
#15

SynInnova Labs BB: SL-371
ref: mol2, SDF, SMILES, flexibase
3.68,12.44,-20.23,1,7,0, 491.361, 6
95616600
 
#16

eMolecules: 902550, 594884
AK Scientific: H977
Chembo Pharma: KB-147102, KB-278210
Element Store BB: b2star-63590-64-7
Enamine: Z1172269406...66 total

95616599
 
#17

eMolecules: 902550, 594884
AK Scientific: H977
Chembo Pharma: KB-278210, KB-147102
Element Store BB: b2star-63590-64-7
Enamine: Z1172269406...61 total

95616601
 
#18

eMolecules: 670703, 531061
AK Scientific: H764
Aldrich CPR: R736384|ALDRICH
Ark Pharm Building Blocks: AK116466
BioSynth: W-107722...73 total

98369402
 
#19

SynInnova Labs BB: SL-331
ref: mol2, SDF, SMILES, flexibase
6.14,10.78,-11.46,1,3,0, 475.18, 5
98369401
 
#20

SynInnova Labs BB: SL-331
ref: mol2, SDF, SMILES, flexibase
6.14,10.79,-11.44,1,3,0, 475.18, 5
28582921
 
#21

SynInnova Labs BB: SL-320
ref: mol2, SDF, SMILES, flexibase
3.86,8.21,-14.65,2,5,0, 366.804, 4
98369400
 
#22

SynInnova Labs BB: SL-220
ref: mol2, SDF, SMILES, flexibase
2.96,6.73,-53.64,1,6,-1, 308.354, 10
lo: mol2, SDF, SMILES, flexibase
2.96,4.75,-14.65,2,6,0, 309.362, 10
98369399
 
#23

SynInnova Labs BB: SL-207
ref: mol2, SDF, SMILES, flexibase
3.35,7.77,-12.44,2,5,0, 350.349, 4
98369398
 
#24

SynInnova Labs BB: SL-206
ref: mol2, SDF, SMILES, flexibase
4.26,8.79,-14.21,2,5,0, 458.255, 4
98369397
 
#25

SynInnova Labs BB: SL-205
ref: mol2, SDF, SMILES, flexibase
3.99,8.32,-14.45,2,5,0, 411.255, 4
98369396
 
#26

SynInnova Labs BB: SL-204
ref: mol2, SDF, SMILES, flexibase
2.37,7.77,-15.3,2,5,0, 350.349, 4
98369395
 
#27

SynInnova Labs BB: SL-201
ref: mol2, SDF, SMILES, flexibase
2.51,3.12,-21.19,3,7,0, 324.377, 10
95908877
 
#28

Ark Pharm Building Blocks: AK-64018
Chembo Pharma: KB-33506, KB-239027, KB-237128
Element Store BB: b2star-164391-47-3
Ryan Scientific: 048-04503
Ryan Scientific BB: 093-61800...16 total

22454217
 
#29

Active BioPharma: 1143
American Custom Chemicals Corp.: HCH0114315
Molport BB: MolPort-003-983-578
SynInnova Labs BB: SL-038
Tocris: 1417...22 total

ref: mol2, SDF, SMILES, flexibase
6.07,15.09,-44.26,1,3,1, 449.565, 9
mid: mol2, SDF, SMILES, flexibase
6.07,15.05,-42.25,1,3,1, 449.565, 9
hi: mol2, SDF, SMILES, flexibase
6.07,12.77,-6.89,0,3,0, 448.557, 9
96068521
 
#30

AK Scientific: Y8806
Ark Pharm Building Blocks: AK-28256, AK-76348
Chembo Pharma: KB-215900
SynInnova Labs BB: SI-772
Tractus: TRA0053600...6 total

98369394
 
#31

SynInnova Labs BB: SI-743
ref: mol2, SDF, SMILES, flexibase
7.21,14.55,-7.05,0,0,0, 304.392, 1
21986445
 
#32

SynInnova Labs BB: SI-734
Leadscope via PubChem: LS-24453
SMDC ChBr Diverse: 28015
ref: mol2, SDF, SMILES, flexibase
1.87,0.38,-118.72,0,5,-2, 230.223, 2
mid: mol2, SDF, SMILES, flexibase
1.41,4.18,-37.03,1,5,-1, 231.231, 2

Similar to: 31570680,
98369393
 
#33

SynInnova Labs BB: SI-727
ref: mol2, SDF, SMILES, flexibase
-3.57,-10.44,-47.16,7,6,1, 180.18, 1
mid: mol2, SDF, SMILES, flexibase
-3.57,-10.77,-8.14,6,6,0, 179.172, 1
98369392
 
#34

SynInnova Labs BB: SI-673
ref: mol2, SDF, SMILES, flexibase
1.05,7.43,-17.79,0,7,0, 267.237, 7
98369391
 
#35

SynInnova Labs BB: SI-661
ref: mol2, SDF, SMILES, flexibase
2.15,3.44,-6.38,0,3,0, 260.034, 1
98369390
 
#36

SynInnova Labs BB: SI-656
ref: mol2, SDF, SMILES, flexibase
1.40,3.86,-11.05,0,4,0, 217.171, 5
33796395
 
#37

SynInnova Labs BB: SI-647
ref: mol2, SDF, SMILES, flexibase
0.42,0.75,-52.79,2,6,-1, 230.24, 5

Similar to: 22052737, 2583466, 15446454, 15446452, 15446451, ... 9 in total.
2578921
 
#38

SynInnova Labs BB: SI-615
ref: mol2, SDF, SMILES, flexibase
3.23,5.45,-3.75,0,1,0, 148.633, 4

Similar to: 2584576, 4202500, 4290267,
5760843
 
#39

SynInnova Labs BB: SI-591
ref: mol2, SDF, SMILES, flexibase
1.68,3.47,-1.89,0,1,0, 100.161, 3
98369389
 
#40

SynInnova Labs BB: SI-579
ref: mol2, SDF, SMILES, flexibase
1.38,7.26,-53.84,0,4,-1, 207.205, 5
98369388
 
#41

SynInnova Labs BB: SI-574
ref: mol2, SDF, SMILES, flexibase
2.69,7.79,-35.54,2,2,1, 203.309, 2
hi: mol2, SDF, SMILES, flexibase
2.69,5.33,-5.29,1,2,0, 202.301, 2
98369387
 
#42

SynInnova Labs BB: SI-518
ref: mol2, SDF, SMILES, flexibase
2.55,4.41,-8.73,0,4,0, 275.098, 4
98369386
 
#43

SynInnova Labs BB: SI-487
ref: mol2, SDF, SMILES, flexibase
4.74,9.98,-7.36,0,3,0, 329.362, 4
98369385
 
#44

SynInnova Labs BB: SI-486
ref: mol2, SDF, SMILES, flexibase
3.72,9.47,-10.24,0,4,0, 303.402, 4
98369384
 
#45

SynInnova Labs BB: SI-485
ref: mol2, SDF, SMILES, flexibase
3.09,10.23,-10.17,0,8,0, 364.398, 6
98369383
 
#46

SynInnova Labs BB: SI-484
ref: mol2, SDF, SMILES, flexibase
3.19,8.82,-8.76,0,6,0, 349.427, 6
98369382
 
#47

SynInnova Labs BB: SI-482
ref: mol2, SDF, SMILES, flexibase
4.28,10.01,-7.44,0,3,0, 307.459, 4
36422235
 
#48

SynInnova Labs BB: SI-481
ref: mol2, SDF, SMILES, flexibase
4.26,10,-6.75,0,3,0, 307.459, 4
98369381
 
#49

SynInnova Labs BB: SI-480
ref: mol2, SDF, SMILES, flexibase
3.76,9.89,-6.1,0,3,0, 307.459, 4
98369380
 
#50

SynInnova Labs BB: SI-473
ref: mol2, SDF, SMILES, flexibase
3.83,7.18,-8.68,1,3,0, 269.344, 5
98369379
 
#51

SynInnova Labs BB: SI-472
ref: mol2, SDF, SMILES, flexibase
3.48,7.15,-11.58,1,3,0, 251.285, 4
98369378
 
#52

SynInnova Labs BB: SI-471
ref: mol2, SDF, SMILES, flexibase
3.35,5.91,-10.58,1,5,0, 316.353, 7
98369377
 
#53

SynInnova Labs BB: SI-470
ref: mol2, SDF, SMILES, flexibase
4.91,9.02,-8.49,1,2,0, 276.335, 4
98369376
 
#54

SynInnova Labs BB: SI-469
ref: mol2, SDF, SMILES, flexibase
6.56,13.93,-12.78,1,4,0, 438.523, 10
98369375
 
#55

SynInnova Labs BB: SI-468
ref: mol2, SDF, SMILES, flexibase
3.61,5.45,-12.7,1,4,0, 270.284, 4
98369374
 
#56

SynInnova Labs BB: SI-467
ref: mol2, SDF, SMILES, flexibase
3.37,5.98,-10.7,1,4,0, 286.327, 6
98369373
 
#57

SynInnova Labs BB: SI-438
ref: mol2, SDF, SMILES, flexibase
3.29,8.45,-11.54,0,5,0, 255.657, 5
36406265
 
#58

SynInnova Labs BB: SI-437
ref: mol2, SDF, SMILES, flexibase
1.53,3.34,-45.99,4,5,1, 251.306, 8
mid: mol2, SDF, SMILES, flexibase
1.53,2.19,-10.62,3,5,0, 250.298, 8
36462264
 
#59

SynInnova Labs BB: SI-436
ref: mol2, SDF, SMILES, flexibase
3.35,7.22,-43.82,3,5,1, 307.414, 11
mid: mol2, SDF, SMILES, flexibase
3.35,6.2,-11.78,2,5,0, 306.406, 11

Similar to: 15065241, 15065242,
34555350
 
#60

SynInnova Labs BB: SI-434
ref: mol2, SDF, SMILES, flexibase
1.13,6.28,-10.3,1,5,0, 265.309, 9
mid: mol2, SDF, SMILES, flexibase
1.13,7.24,-44.72,2,5,1, 266.317, 9

Similar to: 1670948, 2043242, 1754572,
98369372
 
#61

SynInnova Labs BB: SI-416
ref: mol2, SDF, SMILES, flexibase
3.23,7.22,-9.19,0,1,0, 206.191, 1
98369371
 
#62

SynInnova Labs BB: SI-414
ref: mol2, SDF, SMILES, flexibase
2.90,7.24,-41.96,0,2,-1, 207.155, 1
34535164
 
#63

SynInnova Labs BB: SI-412
ref: mol2, SDF, SMILES, flexibase
0.96,7.31,-49.51,0,2,-1, 207.155, 1

Similar to: 1673213, 62673, 16158723,
34558019
 
#64

SynInnova Labs BB: SI-409
ref: mol2, SDF, SMILES, flexibase
1.52,7.64,-9.13,0,3,0, 236.242, 3
34558017
 
#65

SynInnova Labs BB: SI-409
ref: mol2, SDF, SMILES, flexibase
1.52,7.64,-9.13,0,3,0, 236.242, 3
38221810
 
#66

SynInnova Labs BB: SI-408
ref: mol2, SDF, SMILES, flexibase
1.52,7.64,-8.28,0,3,0, 236.242, 3
38221809
 
#67

SynInnova Labs BB: SI-408
ref: mol2, SDF, SMILES, flexibase
1.52,7.64,-8.28,0,3,0, 236.242, 3
36439551
 
#68

SynInnova Labs BB: SI-407
ref: mol2, SDF, SMILES, flexibase
1.50,7.62,-9.56,0,3,0, 236.242, 3
36439550
 
#69

SynInnova Labs BB: SI-407
ref: mol2, SDF, SMILES, flexibase
1.50,7.62,-9.58,0,3,0, 236.242, 3
39079644
 
#70

SynInnova Labs BB: SI-399
ref: mol2, SDF, SMILES, flexibase
2.93,7.66,-12.6,0,4,0, 255.273, 5
34415464
 
#71

SynInnova Labs BB: SI-398
ref: mol2, SDF, SMILES, flexibase
2.14,6.48,-13.07,0,3,0, 208.22, 2
39040487
 
#72

SynInnova Labs BB: SI-395
ref: mol2, SDF, SMILES, flexibase
2.31,7.48,-11.26,0,5,0, 225.207, 2

Similar to: 1437361, 1437373,
38998065
 
#73

SynInnova Labs BB: SI-391
ref: mol2, SDF, SMILES, flexibase
3.53,9.03,-8.39,0,2,0, 230.27, 1
34484038
 
#74

SynInnova Labs BB: SI-385
ref: mol2, SDF, SMILES, flexibase
2.05,1.04,-7.82,1,3,0, 247.088, 3
34460540
 
#75

SynInnova Labs BB: SI-384
ref: mol2, SDF, SMILES, flexibase
2.55,4.45,-11.63,0,4,0, 275.098, 4
39155559
 
#76

SynInnova Labs BB: SI-379
ref: mol2, SDF, SMILES, flexibase
3.58,6.49,-4.63,1,1,0, 288.97, 1
98369370
 
#77

SynInnova Labs BB: SI-370
Alfa Chemistry (Depleted): ACM188052144
ref: mol2, SDF, SMILES, flexibase
3.17,7.92,-6.04,0,3,0, 292.132, 4
34437470
 
#78

SynInnova Labs BB: SI-358
ref: mol2, SDF, SMILES, flexibase
3.31,7.36,-11.37,0,3,0, 256.301, 5

Similar to: 2565500, 1669607,
2526202
 
#79

AK Scientific: 7050AB
Ark Pharm Building Blocks: AK116291
BePharm Building Blocks: B124903
Chembo Pharma: KB-251382
Element Store BB: b2star-50917-73-2...19 total

ref: mol2, SDF, SMILES, flexibase
1.81,5.73,-12.55,0,4,0, 255.254, 7
ref: mol2, SDF, SMILES, flexibase
1.81,5.08,-12.77,0,4,0, 255.254, 7
mid: mol2, SDF, SMILES, flexibase
1.81,6.62,-32.53,1,4,1, 256.262, 7
mid: mol2, SDF, SMILES, flexibase
1.81,6.13,-34.63,1,4,1, 256.262, 7
34461788
 
#80

SynInnova Labs BB: SI-341
ref: mol2, SDF, SMILES, flexibase
3.10,6.19,-10.81,1,6,0, 293.319, 7
hi: mol2, SDF, SMILES, flexibase
2.72,6.29,-37,0,6,-1, 292.311, 7

Similar to: 36310249, 2582971, 2582934, 2582969, 476816, ... 9 in total.
34459812
 
#81

SynInnova Labs BB: SI-335
ref: mol2, SDF, SMILES, flexibase
3.83,8.3,-56.35,0,2,-1, 264.098, 1

Similar to: 134472,
39002230
 
#82

SynInnova Labs BB: SI-334
ref: mol2, SDF, SMILES, flexibase
4.09,8.34,-10.16,0,2,0, 279.133, 2
98369369
 
#83

SynInnova Labs BB: SI-333
ref: mol2, SDF, SMILES, flexibase
3.35,7.93,-8.32,0,2,0, 200.237, 2
34458722
 
#84

SynInnova Labs BB: SI-330
ref: mol2, SDF, SMILES, flexibase
4.05,7.36,-7.67,0,1,0, 249.107, 1

Similar to: 2507999, 3080772, 3845649,
34507622
 
#85

SynInnova Labs BB: SI-329
ref: mol2, SDF, SMILES, flexibase
4.01,7.95,-9.48,0,1,0, 246.107, 0
34601122
 
#86

SynInnova Labs BB: SI-327
ref: mol2, SDF, SMILES, flexibase
2.06,2.74,-7.87,1,5,0, 291.097, 4
hi: mol2, SDF, SMILES, flexibase
2.06,3.63,-44.01,0,5,-1, 290.089, 4

Similar to: 16124101, 1676020, 161472, 1757347, 1787461, ... 5 in total.
39120887
 
#87

SynInnova Labs BB: SI-319
ref: mol2, SDF, SMILES, flexibase
2.05,3.06,-6.88,3,5,0, 234.255, 3

Similar to: 12410869, 83618,
34400093
 
#88

SynInnova Labs BB: SI-318
ref: mol2, SDF, SMILES, flexibase
2.28,6.6,-41.15,0,8,-1, 279.228, 4
34461666
 
#89

SynInnova Labs BB: SI-315
ref: mol2, SDF, SMILES, flexibase
2.44,4.16,-7.06,0,4,0, 291.141, 6

Similar to: 1616016,
39155049
 
#90

SynInnova Labs BB: SI-305
ref: mol2, SDF, SMILES, flexibase
1.26,0.3,-16.44,3,5,0, 282.365, 6
36432059
 
#91

SynInnova Labs BB: SI-303
ref: mol2, SDF, SMILES, flexibase
4.32,7.63,-6.23,0,2,0, 281.149, 2
98369368
 
#92

SynInnova Labs BB: SI-302
ref: mol2, SDF, SMILES, flexibase
4.05,5.61,-5.76,1,2,0, 267.122, 1
hi: mol2, SDF, SMILES, flexibase
4.05,6.61,-45.51,0,2,-1, 266.114, 1
38985909
 
#93

SynInnova Labs BB: SI-301
ref: mol2, SDF, SMILES, flexibase
3.20,5.8,-11.52,0,3,0, 341.226, 4
39004064
 
#94

SynInnova Labs BB: SI-300
ref: mol2, SDF, SMILES, flexibase
3.78,7.48,-51.59,4,2,1, 304.413, 5
39004063
 
#95

SynInnova Labs BB: SI-300
ref: mol2, SDF, SMILES, flexibase
3.78,7.7,-48.77,4,2,1, 304.413, 5
98369367
 
#96

SynInnova Labs BB: SI-299
ref: mol2, SDF, SMILES, flexibase
4.69,10.56,-15.92,1,4,0, 333.387, 6
98369366
 
#97

SynInnova Labs BB: SI-299
ref: mol2, SDF, SMILES, flexibase
4.69,10.51,-15.98,1,4,0, 333.387, 6
39008887
 
#98

SynInnova Labs BB: SI-298
ref: mol2, SDF, SMILES, flexibase
4.87,13.89,-14.12,0,5,0, 361.397, 7
39008886
 
#99

SynInnova Labs BB: SI-298
ref: mol2, SDF, SMILES, flexibase
4.87,13.93,-13.96,0,5,0, 361.397, 7
39000665
 
#100

SynInnova Labs BB: SI-296
ref: mol2, SDF, SMILES, flexibase
4.67,9.02,-8.21,0,2,0, 262.308, 3

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 = 840 ) limit 0,100

Smiles were