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331074
 
#1

ChemMol: 51500092, 44011547, 30112445
AK Scientific: V1643
Alfa-Aesar: H63092
Angene Building Blocks: AGN-PC-0JTKOS
Anward: ANW-43989...54 total

ref: mol2, SDF, SMILES, flexibase
2.54,1.05,-4.28,0,3,0, 220.055, 3

Similar to: 34432609,
19850896
 
#2

AK Scientific: V8011
AKOS: AKOS015854912
Angene Building Blocks: AGN-PC-0LXOD9
Anward: ANW-37953
Ark Pharm Building Blocks: AK-36547...25 total

ref: mol2, SDF, SMILES, flexibase
1.47,3.68,-6.44,2,4,0, 245.076, 3

Similar to: 4362884,
38580619
 
#3

ChemMol: 42302106
Angene Building Blocks: AGN-PC-03NRCU
Ark Pharm Building Blocks: AK158132
Chembo Pharma: KB-252983
Combi-Blocks: ST-8743...15 total

ref: mol2, SDF, SMILES, flexibase
1.04,4.63,-6.39,1,4,0, 180.207, 4
ref: mol2, SDF, SMILES, flexibase
1.04,4.66,-8.78,1,4,0, 180.207, 4

Similar to: 40456602, 38580618, 159951, 31776830, ... 4 in total.
4003126
 
#4

ChemMol: 83600011, 30116322
eMolecules: 707009
Scientific Exchange (make on demand): F-405502
ACB Blocks: MIX-0594
AK Scientific: W7637...55 total

ref: mol2, SDF, SMILES, flexibase
0.82,7.11,-16.67,0,5,0, 191.19, 3

Similar to: 34454038,
91297594
 
#5

AK Scientific: Z4050
Angene Building Blocks: AGN-PC-0JF3ZZ
Ark Pharm Building Blocks: AK-30996
Chembo Pharma: KB-253523
Fluorochem: 319454...9 total

ref: mol2, SDF, SMILES, flexibase
2.50,7.37,-10.99,0,4,0, 258.199, 4
337662
 
#6

ChemMol: 44017854
AK Scientific: W7805
Aldrich CPR: L510556|ALDRICH
Angene Building Blocks: AGN-PC-0JWK1L
Anward: ANW-35381...46 total

ref: mol2, SDF, SMILES, flexibase
1.58,7.03,-11.28,0,4,0, 204.229, 3

Similar to: 31974021, 34429082, 36456350, 39270127, ... 4 in total.
161852
 
#7

ChemMol: 44000223, 97801981
eMolecules: 721743
Acros Organics: MO00216
AK Scientific: W7585
AKOS: AKOS015843538...44 total

ref: mol2, SDF, SMILES, flexibase
2.04,1.24,-9.23,0,5,0, 225.635, 3

Similar to: 34431034,
2563818
 
#8

AK Scientific: W3450
AKOS: AKOS015854665
Aldrich CPR: CDS005643|ALDRICH
Angene Building Blocks: AGN-PC-0030V3
Anward: ANW-50481...34 total

ref: mol2, SDF, SMILES, flexibase
1.18,4.42,-11.57,2,5,0, 205.217, 3

Similar to: 34361359, 36221635,
480120
 
#9

eMolecules: 3154799, 11466421
Molport: MolPort-001-770-732
ACB Blocks: MIX-0535
AK Scientific: X5353
AKOS: AKOS001042384...52 total

ref: mol2, SDF, SMILES, flexibase
2.38,1.88,-8.62,0,4,0, 224.647, 3

Similar to: 31974023, 39270129,
5728101
 
#10

AK Scientific: Y5527
AKOS: AKOS015843527
Aldrich CPR: SYX00148|ALDRICH
Alfa-Aesar: H35652
Amadis Chemical: A846288...37 total

ref: mol2, SDF, SMILES, flexibase
2.15,7.21,-10.8,0,4,0, 204.229, 3

Similar to: 39270128,
4235115
 
#11

ChemMol: 44012065, 30113972
eMolecules: 707109, 25040308
Molport: MolPort-009-195-891
ACB Blocks: MIX-0603
AK Scientific: Y6665...60 total

ref: mol2, SDF, SMILES, flexibase
2.51,1.26,-8.46,0,4,0, 269.098, 3

Similar to: 31974024, 39270130, 39320724,
416156
 
#12

eMolecules: 707111, 46472023
ACB Blocks: MIX-0604
AK Scientific: X0308
AKOS: AKOS000669633
Angene Building Blocks: AGN-PC-0JX604...56 total

ref: mol2, SDF, SMILES, flexibase
2.15,7.22,-11.37,0,4,0, 204.229, 3

Similar to: 34361359, 39270131, 44676348,
15021074
 
#13

AK Scientific: V8944
AKOS: AKOS015834033
Angene Building Blocks: AGN-PC-0570A0
Anward: ANW-39521
Ark Pharm Building Blocks: AK-92178...21 total

ref: mol2, SDF, SMILES, flexibase
2.89,7.73,-8.32,0,4,0, 283.125, 3
71787956
 
#14

Molport: MolPort-019-918-644
AK Scientific: X9653
AKOS: AKOS015834241
Angene Building Blocks: AGN-PC-0BHSE6
Anward: ANW-50480...22 total

ref: mol2, SDF, SMILES, flexibase
2.60,7.23,-9.48,0,4,0, 287.088, 3
12336586
 
#15

AK Scientific: V9531
Angene Building Blocks: AGN-PC-04HB41
Anward: ANW-40416
Ark Pharm Building Blocks: AK-91711
BePharm Building Blocks: B182697...24 total

ref: mol2, SDF, SMILES, flexibase
3.12,1.09,-8.81,0,4,0, 303.543, 3
15021068
 
#16

AK Scientific: V7951
Angene Building Blocks: AGN-PC-05709W
Anward: ANW-37830
Ark Pharm Building Blocks: AK-28380
Chembo Pharma: KB-253932...15 total

ref: mol2, SDF, SMILES, flexibase
2.89,7.77,-11.47,0,4,0, 283.125, 3
34564247
 
#17

ChemMol: 44021836
Molport: MolPort-016-579-179
AKOS: AKOS015840675
Angene Building Blocks: AGN-PC-009BU9
Anward: ANW-73945...23 total

ref: mol2, SDF, SMILES, flexibase
2.93,8.12,-10.46,0,4,0, 284.237, 5

Similar to: 44831539, 51903297, 57701,
167418
 
#18

ChemMol: 97804971, 44021842
AK Scientific: X8976
Alfa-Aesar: H61472
Angene Building Blocks: AGN-PC-0KL20M
Anward: ANW-47815...43 total

ref: mol2, SDF, SMILES, flexibase
1.66,4.78,-11.97,0,4,0, 222.166, 4
404009
 
#19

ChemMol: 96700880, 44001836
AK Scientific: N708
Alfa-Aesar: H29239
Angene Building Blocks: AGN-PC-0OPRS2
Anward: ANW-58957...23 total

ref: mol2, SDF, SMILES, flexibase
0.80,5.19,-15.68,0,4,0, 299.248, 4

Similar to: 34329816, 34336026, 34336038, 34336041, 34336043, ... 30 in total.
2380484
 
#20

ChemMol: 44007058, 30111058, 97801698
eMolecules: 841100
Acorn PharmaTech: ACN-S002900
AK Scientific: Q607
AKOS: AKOS000200207...82 total

ref: mol2, SDF, SMILES, flexibase
1.34,3.14,-5.96,2,3,0, 171.221, 3
38916186
 
#21

AK Scientific: W4150
AKOS: AKOS015919142
Angene Building Blocks: AGN-PC-0N4W09
Anward: ANW-49046
Ark Pharm Building Blocks: AK-47986...26 total

ref: mol2, SDF, SMILES, flexibase
1.96,5.67,-5.82,0,2,0, 170.233, 3

Similar to: 38584860,
389769
 
#22

AKOS: AKOS002663466
Angene Building Blocks: AGN-PC-0JNWXN
Anward: ANW-26503
Chembo Pharma: KB-25284
Fluorochem: 386973...20 total

ref: mol2, SDF, SMILES, flexibase
1.31,4.88,-6.06,0,3,0, 154.165, 3

Similar to: 32149198, 36761503, 38251208,
90470855
 
#23

AK Scientific: V7450
Angene Building Blocks: AGN-PC-0I6HOF
Ark Pharm Building Blocks: AK-64350
Combi-Blocks: ST-7371
Ryan Scientific BB: 048-13802...10 total

ref: mol2, SDF, SMILES, flexibase
-0.05,2.24,-7.09,2,5,0, 167.168, 3
34316820
 
#24

ChemMol: 97803334
Molport: MolPort-021-782-912
AK Scientific: 7125AA
American Custom Chemicals Corp.: HCH0316591
Angene Building Blocks: AGN-PC-001R2C...20 total

ref: mol2, SDF, SMILES, flexibase
1.15,3.59,-9.02,0,4,0, 186.598, 3
22008426
 
#25

ChemMol: 44001279
AK Scientific: 5094AB
Angene Building Blocks: AGN-PC-0NBPMA
Anward: ANW-71650
Ark Pharm Building Blocks: AK-77135...18 total

ref: mol2, SDF, SMILES, flexibase
-0.07,3.25,-6.73,0,4,0, 152.153, 3
16697860
 
#26

ChemMol: 97802876, 44001265
AK Scientific: X0336
Alfa-Aesar: H64662
Angene Building Blocks: AGN-PC-00NHVU
Anward: ANW-61877...33 total

ref: mol2, SDF, SMILES, flexibase
0.46,4.1,-6.6,0,4,0, 152.153, 3
2243814
 
#27

ChemMol: 97802158, 30106135, 51501242, 30110432, 44005147
eMolecules: 2731590
Molport: MolPort-000-001-314
ACT Chemical BB: ACT04454
Alfa-Aesar: H64188...69 total

ref: mol2, SDF, SMILES, flexibase
1.00,2.4,-5.19,2,4,0, 166.18, 3
34122852
 
#28

ChemMol: 44031808
AK Scientific: Z6813
Angene Building Blocks: AGN-PC-00NK3R
Anward: ANW-15249
Ark Pharm Building Blocks: AK-84825...20 total

ref: mol2, SDF, SMILES, flexibase
1.59,2.8,-6.8,0,4,0, 181.191, 4
19735565
 
#29

ChemMol: 44013244, 30116437, 96706478
Molport: MolPort-000-000-574
A&J Pharmtech: AJ-00928
Acorn PharmaTech: ACN-S003004
Adesis: 2-106...66 total

ref: mol2, SDF, SMILES, flexibase
1.02,3.02,-7.49,2,4,0, 166.18, 3
2599083
 
#30

ChemMol: 44021452, 51500864
eMolecules: 1839425
Molport: MolPort-001-761-142
AK Scientific: V1759
Alinda Building Blocks: ALBB-005503...55 total

ref: mol2, SDF, SMILES, flexibase
2.22,1.24,-5.12,0,3,0, 185.61, 3

Similar to: 6091365,
14628524
 
#31

ChemMol: 44024922, 51502869, 30117108
AK Scientific: Z5307
AKOS: AKOS015834212
Aldrich CPR: CDS003014|ALDRICH
Angene Building Blocks: AGN-PC-0L0XCD...35 total

ref: mol2, SDF, SMILES, flexibase
2.35,4.82,-5.09,0,3,0, 230.061, 3
12471773
 
#32

AK Scientific: V9812, Y8900
Angene Building Blocks: AGN-PC-00G7IP
Anward: ANW-28588, ANW-42257
Ark Pharm Building Blocks: AK-92084, AK-83253
BePharm Building Blocks: B230255...39 total

ref: mol2, SDF, SMILES, flexibase
1.80,6.63,-10.99,0,4,0, 190.202, 3
mid: mol2, SDF, SMILES, flexibase
1.80,7.11,-33.37,1,4,1, 191.21, 3
157298
 
#33

ChemMol: 30106251
AK Scientific: M393
Alfa-Aesar: A12302
Angene Building Blocks: AGN-PC-0CBISD
Anward: ANW-26334...49 total

ref: mol2, SDF, SMILES, flexibase
2.05,1.41,-5.97,0,2,0, 156.206, 3

Similar to: 32135515, 32135516, 34545742, 38254352, ... 4 in total.
164952
 
#34

ChemMol: 30103696, 44003500, 97801549
eMolecules: 722556
A&J Pharmtech: AJ-02750
AKOS: AKOS000121098
Aldrich CPR: PH011264|ALDRICH...63 total

ref: mol2, SDF, SMILES, flexibase
1.88,4.63,-8.79,0,3,0, 185.61, 3
21985503
 
#35

ChemMol: 30104175
AK Scientific: W8273
Angene Building Blocks: AGN-PC-0NK4CQ
Anward: ANW-46798
APIChem: AC-14850...21 total

ref: mol2, SDF, SMILES, flexibase
1.07,4.37,-13.33,0,4,0, 176.175, 3
1296737
 
#36

ChemMol: 44032116
AK Scientific: Y9350
AKOS: AKOS002670107
Alfa-Aesar: H52335
Angene Building Blocks: AGN-PC-0K4W2H...26 total

ref: mol2, SDF, SMILES, flexibase
2.01,0.61,-8.37,0,3,0, 230.061, 3

Similar to: 21984999, 21985005,
34301882
 
#37

Molport: MolPort-021-875-060
AK Scientific: Z3930
Angene Building Blocks: AGN-PC-001HNK
Ark Pharm Building Blocks: AK-72734
Chembo Pharma: KB-252046...10 total

ref: mol2, SDF, SMILES, flexibase
1.64,8.22,-11,0,4,0, 216.24, 4
lo: mol2, SDF, SMILES, flexibase
1.64,9.25,-29.73,1,4,1, 217.248, 4
254451
 
#38

ChemMol: 44001768
eMolecules: 2724050
Molport: MolPort-000-003-650
AKOS: AKOS005444246
Angene Building Blocks: AGN-PC-0LEVIQ...40 total

ref: mol2, SDF, SMILES, flexibase
0.79,1.68,-13.16,2,5,0, 229.257, 4

Similar to: 34669592, 39592309,
157490
 
#39

Acros Organics: 15049
AK Scientific: V0588
AKOS: AKOS000120529
Alfa-Aesar: A10101
Angene Building Blocks: AGN-PC-0JK8IE...81 total

ref: mol2, SDF, SMILES, flexibase
2.51,4.11,-7.89,1,3,0, 166.176, 3
hi: mol2, SDF, SMILES, flexibase
2.51,5.12,-49.72,0,3,-1, 165.168, 3

Similar to: 34477920, 39291640, 39382595,
1600505
 
#40

AK Scientific: W5709
AKOS: AKOS008017784
Angene Building Blocks: AGN-PC-0JLCRG
Anward: ANW-49847
Ark Pharm Building Blocks: AK-64767...40 total

ref: mol2, SDF, SMILES, flexibase
2.47,0.93,-5.39,1,3,0, 179.219, 4

Similar to: 32142177, 32237052, 563723,
2534761
 
#41

ChemMol: 30111789, 44019624
Molport: MolPort-002-499-624
AK Scientific: N044, W6945
Angene Building Blocks: AGN-PC-0JTICL
Anward: ANW-48032...34 total

ref: mol2, SDF, SMILES, flexibase
2.72,2.32,-6.91,0,3,0, 193.246, 4
1694399
 
#42

ChemMol: 1031911
Scientific Exchange (make on demand): K-084644
AK Scientific: I467
AKOS: AKOS008948024
Alfa-Aesar: A16564...41 total

ref: mol2, SDF, SMILES, flexibase
2.26,2.95,-9.1,0,2,0, 168.167, 3

Similar to: 32137832, 32148268, 32149119, 33838654, 44200642, ... 5 in total.
403512
 
#43

ChemMol: 1031931
Scientific Exchange (make on demand): K-084625
AK Scientific: Z5079
Alfa-Aesar: A10141
Angene Building Blocks: AGN-PC-0JLTHD...39 total

ref: mol2, SDF, SMILES, flexibase
2.78,2.13,-7.06,0,2,0, 184.622, 3

Similar to: 1948596, 32165735, 36448573, 39303990, 39308725, ... 8 in total.
1684989
 
#44

ChemMol: 97802082
Molport: MolPort-003-936-740
AK Scientific: Z4997
Angene Building Blocks: AGN-PC-0JOHMU
Anward: ANW-71470...27 total

ref: mol2, SDF, SMILES, flexibase
1.85,6.23,-12.35,0,3,0, 175.187, 3
162646
 
#45

ChemMol: 97800597
eMolecules: 498778
Acros Organics: 30853, RDP00160
AK Scientific: 9105AB
Alfa-Aesar: A13166...42 total

ref: mol2, SDF, SMILES, flexibase
2.91,1.57,-6.74,0,2,0, 229.073, 3

Similar to: 5691797, 6095217, 32137765, 32222349, 32222359, ... 7 in total.
404389
 
#46

Molport: MolPort-001-783-862
Scientific Exchange (make on demand): K-084619
TCM Database @ Taiwan: tcm03_002916, 28312
Acros Organics: 11809
AKOS: AKOS003596787...198 total

ref: mol2, SDF, SMILES, flexibase
2.48,2.3,-5.89,0,2,0, 150.177, 3
71260833
 
#47

ChemMol: 44024119
A&J Pharmtech: AJ-02833
AK Scientific: Y5619
Alfa-Aesar: H31995
Angene Building Blocks: AGN-PC-07HBFX...21 total

ref: mol2, SDF, SMILES, flexibase
1.79,4.58,-8.64,1,4,0, 190.202, 3
ref: mol2, SDF, SMILES, flexibase
1.79,4.68,-8.31,1,4,0, 190.202, 3
40545956
 
#48

AK Scientific: V8981
AKOS: AKOS000114334
Angene Building Blocks: AGN-PC-07JTK9
Anward: ANW-39572
Ark Pharm Building Blocks: AK107535...18 total

ref: mol2, SDF, SMILES, flexibase
4.07,8.71,-5.7,0,2,0, 279.133, 3

Similar to: 39347315,
2539264
 
#49

Acorn PharmaTech: ACN-S002855
AKOS: AKOS015854535
Angene Building Blocks: AGN-PC-0JTNQY
Anward: ANW-31066
Ark Pharm Building Blocks: AK-77718...31 total

ref: mol2, SDF, SMILES, flexibase
2.32,5.98,-10.22,1,3,0, 189.214, 3

Similar to: 34217874, 35823133, 38207503, 38777380, 39270852, ... 6 in total.
71260832
 
#50

ChemMol: 44024121
AK Scientific: W9102
Alfa-Aesar: H32468
Angene Building Blocks: AGN-PC-07HBFY
Anward: ANW-49926...28 total

ref: mol2, SDF, SMILES, flexibase
1.79,4.81,-9.76,1,4,0, 190.202, 3
ref: mol2, SDF, SMILES, flexibase
1.79,4.86,-17.24,1,4,0, 190.202, 3

Similar to: 32221431,
2561283
 
#51

ChemMol: 30115346
Acorn PharmaTech: ACN-S002812
Angene Building Blocks: AGN-PC-02K2S7
Anward: ANW-53913
APIChem: AC-22709...26 total

ref: mol2, SDF, SMILES, flexibase
2.32,6.16,-6.62,1,3,0, 189.214, 3

Similar to: 5821423, 5858324, 32263978, 32267073, 34633002, ... 5 in total.
20027320
 
#52

ChemMol: 51501605
Molport: MolPort-000-001-292
AK Scientific: W7903
Angene Building Blocks: AGN-PC-00IRWK
Apexmol Building Blocks: AM101148...35 total

ref: mol2, SDF, SMILES, flexibase
0.80,2.97,-9.43,2,4,0, 166.18, 3

Similar to: 39383911, 4088162,
34622230
 
#53

AK Scientific: W4418
AKOS: AKOS011693448
Alfa-Aesar: H61701
Angene Building Blocks: AGN-PC-0NF9OP
Anward: ANW-24369...24 total

ref: mol2, SDF, SMILES, flexibase
2.00,4.7,-7.58,0,3,0, 185.61, 3

Similar to: 1682743,
4255723
 
#54

ChemMol: 1203133, 97802262, 30109853, 44006499
Acorn PharmaTech: ACN-S004146
AKOS: AKOS015834714
Angene Building Blocks: AGN-PC-0KKMS1
Anward: ANW-24368...50 total

ref: mol2, SDF, SMILES, flexibase
2.13,0.4,-7.56,0,3,0, 230.061, 3
21300175
 
#55

AK Scientific: Z5115
Angene Building Blocks: AGN-PC-04RZF8
Anward: ANW-70852
Ark Pharm Building Blocks: AK104935
BePharm Building Blocks: B239143...16 total

ref: mol2, SDF, SMILES, flexibase
2.89,6.58,-9.37,0,2,0, 202.612, 3

Similar to: 34346973, 44200465, 44200488,
2566171
 
#56

ChemMol: 97800635
Angene Building Blocks: AGN-PC-03PQ4Q
Ark Pharm Building Blocks: AK-82352
Chembo Pharma: KB-252315
Combi-Blocks: ST-7273...17 total

ref: mol2, SDF, SMILES, flexibase
2.95,7.16,-5.26,0,2,0, 178.231, 3

Similar to: 32141878, 32220765, 34527838, 34558029, 34589842, ... 5 in total.
2567512
 
#57

ChemMol: 97803988
Aldrich CPR: BML00006|ALDRICH
Angene Building Blocks: AGN-PC-0KKVJQ
Anward: ANW-23856
Chembo Pharma: KB-86473...26 total

ref: mol2, SDF, SMILES, flexibase
4.25,2.84,-7.39,0,2,0, 226.275, 4

Similar to: 34472689, 34629682, 34649920, 40174799, 40174803, ... 11 in total.
388755
 
#58

ChemMol: 2200633, 80100641, 97806693
eMolecules: 491951
Molport: MolPort-000-869-479
Scientific Exchange (make on demand): K-084637
AK Scientific: K368...69 total

ref: mol2, SDF, SMILES, flexibase
1.98,3.23,-7.54,1,3,0, 166.176, 3

Similar to: 39368854,
25757103
 
#59

ChemMol: 97802731, 30110617
Alfa-Aesar: H55598
Angene Building Blocks: AGN-PC-0R24SQ
APIChem: AC-3000
Ark Pharm Building Blocks: AK-77580...19 total

ref: mol2, SDF, SMILES, flexibase
3.49,8.08,-9.28,0,6,0, 334.416, 6

Similar to: 39952207, 39952646,
403477
 
#60

Acros Organics: 25004
AK Scientific: W7144
AKOS: AKOS008947833
Alfa-Aesar: A14210
Angene Building Blocks: AGN-PC-0JMTBX...43 total

ref: mol2, SDF, SMILES, flexibase
3.54,1.47,-5.61,0,2,0, 276.073, 3

Similar to: 33828519, 34843410,
1694398
 
#61

ChemMol: 44009914, 1031932
AK Scientific: X2223
Alfa-Aesar: L01065
Angene Building Blocks: AGN-PC-0JL9XD
Anward: ANW-16538...39 total

ref: mol2, SDF, SMILES, flexibase
3.14,2.16,-5.82,0,2,0, 184.622, 3

Similar to: 6328062, 8253057, 32165741, 32165743, 32165745, ... 15 in total.
16123830
 
#62

ChemMol: 98002461
Angene Building Blocks: AGN-PC-002MTV
Anward: ANW-32120
Ark Pharm Building Blocks: AK116646
BePharm Building Blocks: B128493...25 total

ref: mol2, SDF, SMILES, flexibase
3.04,7.36,-6.79,0,2,0, 198.649, 4

Similar to: 32148380, 34476083, 34546265,
2170322
 
#63

ChemMol: 44011711
AK Scientific: X2217
Aldrich CPR: S554936|ALDRICH
Alfa-Aesar: A17888
Angene Building Blocks: AGN-PC-0JIG0S...36 total

ref: mol2, SDF, SMILES, flexibase
3.35,4.47,-6.64,0,2,0, 218.174, 4

Similar to: 2379306, 32137797, 32211375, 32211470, 32211545, ... 21 in total.
1767954
 
#64

AK Scientific: K004
Angene Building Blocks: AGN-PC-0JKAMH
Ark Pharm Building Blocks: AK114568
BePharm Building Blocks: B41903
Chembo Pharma: KB-251521...19 total

ref: mol2, SDF, SMILES, flexibase
3.01,3.41,-10.61,0,4,0, 222.24, 6

Similar to: 34561130, 34612256, 36373060, 38523387, 44229136, ... 5 in total.
2580263
 
#65

AK Scientific: 4845AB
Angene Building Blocks: AGN-PC-0069WD
Anward: ANW-28740
Ark Pharm Building Blocks: AK-83255
Chembo Pharma: KB-201548...15 total

ref: mol2, SDF, SMILES, flexibase
2.36,6.46,-7.25,0,3,0, 192.214, 4

Similar to: 16322000,
35101672
 
#66

Angene Building Blocks: AGN-PC-00KIWW
Combi-Blocks: CA-4668
Molport BB: MolPort-011-006-896
Ryan Scientific BB: 077-32592
PubChem: 13026687...9 total

ref: mol2, SDF, SMILES, flexibase
2.22,6.45,-8.91,0,3,0, 175.187, 3
407118
 
#67

ChemMol: 30108110
Scientific Exchange (make on demand): K-084620
Alfa-Aesar: B23925
Angene Building Blocks: AGN-PC-0C6KV7
Anward: ANW-65780...41 total

ref: mol2, SDF, SMILES, flexibase
2.91,2.63,-5.9,0,2,0, 164.204, 3

Similar to: 34469573, 34561130, 38523387,
165736
 
#68

ChemMol: 97801592, 1202984, 30105664, 44004752, 44000125
eMolecules: 567273
Acorn PharmaTech: ACN-S004188
ACT Chemical BB: ACT01682
AK Scientific: M423...69 total

ref: mol2, SDF, SMILES, flexibase
1.30,3.83,-7.34,1,3,0, 139.154, 3

Similar to: 32206953, 34560128,
95944467
 
#69

AK Scientific: V5162
Angene Building Blocks: AGN-PC-0JWTPN
ref: mol2, SDF, SMILES, flexibase
1.65,6.83,-14.31,0,4,0, 223.253, 3
95944466
 
#70

AK Scientific: V5155
Angene Building Blocks: AGN-PC-0R7IYC
ref: mol2, SDF, SMILES, flexibase
1.87,7.65,-13.45,0,4,0, 237.28, 3
50705
 
#71

ChemMol: 30107315, 44005872, 97801149
eMolecules: 828913
Scientific Exchange (make on demand): Z-007702
ACT Chemical BB: ACT10261
AK Scientific: W6604...95 total

ref: mol2, SDF, SMILES, flexibase
2.50,-1.34,-8.55,2,4,0, 222.269, 3
lo: mol2, SDF, SMILES, flexibase
2.50,-1.28,-34.36,3,4,1, 223.277, 3

Similar to: 25503115, 31893812,
8729855
 
#72

ChemMol: 44011775
AK Scientific: W8450
Angene Building Blocks: AGN-PC-0UDID6
Anward: ANW-50523
Apexmol Building Blocks: AM20061014...34 total

ref: mol2, SDF, SMILES, flexibase
3.70,0.23,-5.36,0,3,0, 241.699, 3
38844589
 
#73

AK Scientific: W9861
AKOS: AKOS002666390
Amadis Chemical: A845957
Angene Building Blocks: AGN-PC-0NHOB8
Anward: ANW-50525...29 total

ref: mol2, SDF, SMILES, flexibase
3.83,6.09,-5.46,0,3,0, 286.15, 3

Similar to: 44713308,
161821
 
#74

eMolecules: 721703
AK Scientific: W6540
AKOS: AKOS015850875
Angene Building Blocks: AGN-PC-0KLR38
Anward: ANW-50542...31 total

ref: mol2, SDF, SMILES, flexibase
1.88,4.52,-11.23,0,5,0, 205.217, 3
577474
 
#75

eMolecules: 9886761
Acros Organics: CC13623
AK Scientific: Y9374
AKOS: AKOS003589960
Angene Building Blocks: AGN-PC-0JYNT0...20 total

ref: mol2, SDF, SMILES, flexibase
2.02,7.39,-12.5,0,4,0, 204.229, 3

Similar to: 34484106, 39039059,
61042
 
#76

eMolecules: 636730
Molport: MolPort-001-822-769
AK Scientific: V9157
AKOS: AKOS003601366, AKOS000115287
Aldrich CPR: R465143|ALDRICH...39 total

ref: mol2, SDF, SMILES, flexibase
2.48,1.94,-12.23,0,4,0, 232.283, 4

Similar to: 6550353, 6650450,
75838637
 
#77

Molport: MolPort-021-875-182
AK Scientific: V7433
Angene Building Blocks: AGN-PC-0OGZ7B
Combi-Blocks: WZ-9173
Molport BB: MolPort-021-875-182...7 total

ref: mol2, SDF, SMILES, flexibase
2.11,7.2,-12.72,0,4,0, 218.256, 3
lo: mol2, SDF, SMILES, flexibase
2.11,7.64,-32.68,1,4,1, 219.264, 3
1420666
 
#78

ChemMol: 44024123
Molport: MolPort-000-003-552
AK Scientific: W4129
Alfa-Aesar: H32649
Angene Building Blocks: AGN-PC-0K63V4...43 total

ref: mol2, SDF, SMILES, flexibase
2.15,0.13,-7.53,1,4,0, 190.202, 3
mid: mol2, SDF, SMILES, flexibase
2.15,0.14,-11.93,1,4,0, 190.202, 3

Similar to: 32265595, 34455182,
13282938
 
#79

Molport: MolPort-014-836-243
AK Scientific: W8189
AKOS: AKOS011223671
Angene Building Blocks: AGN-PC-0JM0T9
Anward: ANW-49992...32 total

ref: mol2, SDF, SMILES, flexibase
2.47,6.43,-7.59,0,3,0, 201.225, 3
lo: mol2, SDF, SMILES, flexibase
2.47,6.71,-37.41,1,3,1, 202.233, 3

Similar to: 34626568, 34644546,
45068491
 
#80

AK Scientific: 6229AC
AKOS: AKOS015843548
Aldrich CPR: T153818|ALDRICH
Angene Building Blocks: AGN-PC-0NKYPM
Anward: ANW-67535...17 total

ref: mol2, SDF, SMILES, flexibase
4.83,10.44,-7.3,0,2,0, 250.297, 3

Similar to: 34347671, 34595098, 34602061, 34602065, 34843412, ... 10 in total.
2572399
 
#81

ChemMol: 44013234
Acorn PharmaTech: ACN-S002841
Angene Building Blocks: AGN-PC-0NDZKM
Anward: ANW-27515
Ark Pharm Building Blocks: AK-79419...28 total

ref: mol2, SDF, SMILES, flexibase
2.68,1.28,-8.76,1,3,0, 189.214, 3

Similar to: 34428302, 35904966, 38219103, 38241121, 38241256, ... 7 in total.
77028486
 
#82

AK Scientific: W9495
Angene Building Blocks: AGN-PC-0VU2LN
Anward: ANW-45900
Ark Pharm Building Blocks: AK-86748
BePharm Building Blocks: B227202...15 total

ref: mol2, SDF, SMILES, flexibase
2.91,8.23,-11.95,2,6,0, 296.33, 5
66351905
 
#83

ChemMol: 44024120
AK Scientific: Y5534
Alfa-Aesar: H32249
Angene Building Blocks: AGN-PC-02JCBJ
Anward: ANW-60864...20 total

ref: mol2, SDF, SMILES, flexibase
2.15,4.7,-7.69,1,4,0, 190.202, 3
ref: mol2, SDF, SMILES, flexibase
2.15,4.89,-11.68,1,4,0, 190.202, 3
157090
 
#84

ChemMol: 44021776
AK Scientific: X7026
AKOS: AKOS008952952
Alfa-Aesar: L06385
Angene Building Blocks: AGN-PC-0JSA8X...40 total

ref: mol2, SDF, SMILES, flexibase
2.85,1.07,-3.65,0,2,0, 190.651, 3

Similar to: 32188861,
2583440
 
#85

ChemMol: 44021750, 44028085
AK Scientific: W7091
AKOS: AKOS008950228
Aldrich CPR: CDS001116|ALDRICH
Alfa-Aesar: B22355...39 total

ref: mol2, SDF, SMILES, flexibase
2.98,0.44,-3.6,0,2,0, 235.102, 3

Similar to: 34234148,
399948
 
#86

AK Scientific: X5330
Aldrich CPR: S811386|ALDRICH
Alfa-Aesar: H52343
Angene Building Blocks: AGN-PC-0JMGQL
Anward: ANW-33770...22 total

ref: mol2, SDF, SMILES, flexibase
2.34,1.75,-4.46,0,3,0, 219.034, 3
21304746
 
#87

ChemMol: 97802979
AK Scientific: V9915
Angene Building Blocks: AGN-PC-04Z0ZO
Anward: ANW-44291
Ark Pharm Building Blocks: AK-82622...21 total

ref: mol2, SDF, SMILES, flexibase
0.29,1.9,-11.35,2,5,0, 167.168, 3
12016252
 
#88

ChemMol: 44017819, 2100974
Molport: MolPort-003-987-213
Acros Organics: 43111
AK Scientific: W8288
Angene Building Blocks: AGN-PC-0N319T...48 total

ref: mol2, SDF, SMILES, flexibase
1.49,1.52,-6.97,0,4,0, 186.598, 3
39058553
 
#89

ChemMol: 97803371
AK Scientific: 9829AB
AKOS: AKOS015902915
American Custom Chemicals Corp.: CHM0293045
Angene Building Blocks: AGN-PC-07ABSQ...20 total

ref: mol2, SDF, SMILES, flexibase
0.52,3.79,-8.99,0,4,0, 166.18, 3
19738642
 
#90

ChemMol: 51502893
AK Scientific: W5877
AKOS: AKOS015842201
Angene Building Blocks: AGN-PC-00BOWS
Anward: ANW-46694...29 total

ref: mol2, SDF, SMILES, flexibase
2.26,5.91,-5.62,0,3,0, 233.189, 4

Similar to: 31177842, 31177868, 31178171, 31178932, 31179860, ... 13 in total.
166523
 
#91

ChemMol: 44006914, 30112241
Acorn PharmaTech: ACN-S004366
Acros Organics: 45464
Alfa-Aesar: A14723
Angene Building Blocks: AGN-PC-0KLAGL...61 total

ref: mol2, SDF, SMILES, flexibase
1.93,4.74,-4.93,0,3,0, 185.61, 3

Similar to: 34327710, 34427981,
34601504
 
#92

Molport: MolPort-022-373-662
AK Scientific: Z4399
Angene Building Blocks: AGN-PC-00PTUU
Anward: ANW-57170
Ark Pharm Building Blocks: AK-64777...15 total

ref: mol2, SDF, SMILES, flexibase
0.77,4.01,-12.27,0,4,0, 179.175, 4

Similar to: 38285096, 1721679, 12336419, 32191127, ... 4 in total.
34364331
 
#93

ChemMol: 51502866
AK Scientific: X9828
AKOS: AKOS009456289
Angene Building Blocks: AGN-PC-002JID
Anward: ANW-49689...30 total

ref: mol2, SDF, SMILES, flexibase
2.06,4.8,-4.79,0,3,0, 230.061, 3

Similar to: 15021227, 2539912,
66309463
 
#94

Molport: MolPort-015-164-438
Angene Building Blocks: AGN-PC-09SGBG
Ark Pharm Building Blocks: AK-83627
Combi-Blocks: ST-7012
Molport BB: MolPort-015-164-438...13 total

ref: mol2, SDF, SMILES, flexibase
0.45,1.79,-13.81,0,5,0, 229.257, 4
39189707
 
#95

ChemMol: 51502757
AK Scientific: W6976
Angene Building Blocks: AGN-PC-0NI7OV
Anward: ANW-48917
Ark Pharm Building Blocks: AK-68218...28 total

ref: mol2, SDF, SMILES, flexibase
1.43,4.92,-7.48,0,3,0, 165.192, 3
2559913
 
#96

ChemMol: 51503160, 44007908
Molport: MolPort-002-345-474
AK Scientific: W8383
AKOS: AKOS012257297
Angene Building Blocks: AGN-PC-0NJW6N...38 total

ref: mol2, SDF, SMILES, flexibase
1.95,4.87,-5.2,0,3,0, 230.061, 3
20357975
 
#97

ChemMol: 2000048, 96710253
AK Scientific: 2827AA, Z3932
Angene Building Blocks: AGN-PC-000SHQ
Anward: ANW-61903
Apexmol Building Blocks: AM83208...28 total

ref: mol2, SDF, SMILES, flexibase
2.24,4.02,-4.31,2,3,0, 183.182, 3

Similar to: 37022895,
20156075
 
#98

AK Scientific: V6853
Aldrich CPR: PH000524|ALDRICH
Angene Building Blocks: AGN-PC-0NIKT2
Anward: ANW-33425
Ark Pharm Building Blocks: AK136366...17 total

ref: mol2, SDF, SMILES, flexibase
2.75,4.47,-4.05,2,3,0, 199.637, 3

Similar to: 38274348, 43444848,
47202628
 
#99

AK Scientific: W7681
AKOS: AKOS015920083
Angene Building Blocks: AGN-PC-0NKCBC
Anward: ANW-49741
Ark Pharm Building Blocks: AK-65051...21 total

ref: mol2, SDF, SMILES, flexibase
2.97,5.17,-3.99,2,3,0, 233.189, 4
36532953
 
#100

ChemMol: 44032326
Molport: MolPort-016-579-592
AK Scientific: 0548AB
Angene Building Blocks: AGN-PC-02130H
Anward: ANW-57740...18 total

ref: mol2, SDF, SMILES, flexibase
3.32,7.2,-6.24,0,2,0, 294.063, 3

Old detail retrieval took 2 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 = 565 ) limit 0,100

Smiles were