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12340765
 
#1

eMolecules: 1952314
Molport: MolPort-000-872-546
Scientific Exchange (make on demand): POD_18/0865
AKOS: AKOS000359154
Aldrich CPR: S38424|ALDRICH...32 total

ref: mol2, SDF, SMILES, flexibase
1.18,1.88,-8.06,2,4,0, 202.213, 3

Similar to: 5826427,
1570699
 
#2

Molport: MolPort-000-872-532
Chemstep: 844
Enamine: Z56813500
Enamine Building Blocks: EN300-02417
Molport BB: MolPort-000-872-532...18 total

ref: mol2, SDF, SMILES, flexibase
1.42,4.66,-9.83,1,2,0, 164.183, 3

Similar to: 32007089, 32007090, 32007098, 32007099, 36668965, ... 10 in total.
1729255
 
#3

Molport: MolPort-000-872-530
AKOS: AKOS001039268
Aldrich CPR: S295124|ALDRICH
Element Store BB: b2star-54475-92-2
Enamine: Z56931866...19 total

ref: mol2, SDF, SMILES, flexibase
1.91,5.11,-8.45,1,2,0, 180.638, 3

Similar to: 32009117, 32009118, 32009126, 32009128, 36679624, ... 9 in total.
3180988
 
#4

eMolecules: 2856351
Molport: MolPort-000-872-529
AKOS: AKOS001073415
Enamine Building Blocks: EN300-04961
Maybridge: EN00151...23 total

ref: mol2, SDF, SMILES, flexibase
1.31,3.89,-10.02,1,3,0, 176.219, 4

Similar to: 5845699, 5845708, 5846402, 5846406, 32008254, ... 17 in total.
2166004
 
#5

Molport: MolPort-000-872-528
Scientific Exchange (make on demand): F-452362
AKOS: AKOS001065180
Aldrich CPR: S745715|ALDRICH
Enamine: Z56887629...17 total

ref: mol2, SDF, SMILES, flexibase
1.70,5.27,-8.21,1,2,0, 160.22, 3

Similar to: 32006790, 32006801, 32006803, 32006810, 32006812, ... 15 in total.
12376742
 
#6

ChemMol: 1036770, 96705346
eMolecules: 534710
Molport: MolPort-000-872-526
Scientific Exchange (make on demand): POD_79/0818
AK Scientific: L484...50 total

ref: mol2, SDF, SMILES, flexibase
1.25,4.59,-8.17,1,2,0, 146.193, 3

Similar to: 32005979, 32005981, 32005983, 32005986, 36678298, ... 9 in total.
8615114
 
#7

ChemMol: 30101887, 44002271
eMolecules: 480772
Molport: MolPort-000-872-515
Scientific Exchange (make on demand): M-773091
Acros Organics: 15847...107 total

ref: mol2, SDF, SMILES, flexibase
2.61,3.74,-8.05,2,2,0, 184.651, 0

Similar to: 34578372, 38524866,
2385701
 
#8

ChemMol: 96705567
eMolecules: 813578
Molport: MolPort-000-872-495
AK Scientific: 4971AB
AKOS: AKOS001274848...42 total

ref: mol2, SDF, SMILES, flexibase
4.22,0.87,-5.81,0,1,0, 222.696, 2

Similar to: 34974622, 36984538,
138987
 
#9

eMolecules: 738062
Molport: MolPort-000-872-463
AKOS: AKOS000269278
Chembo Pharma: KB-12232
ChemDiv: 1682-0121...36 total

ref: mol2, SDF, SMILES, flexibase
0.38,1.11,-10.71,2,4,0, 176.175, 0
68806
 
#10

eMolecules: 2254829
Molport: MolPort-000-872-388
AKOS: AKOS000118321
Aldrich CPR: CDS011665|ALDRICH
Apexmol Building Blocks: AM803237...35 total

ref: mol2, SDF, SMILES, flexibase
3.20,1.21,-11.46,1,3,0, 204.225, 1

Similar to: 25493667, 34480190, 39251513,
332838
 
#11

Life Chemicals: F1045-0033
Mcule: MCULE-1929928357
Molport BB: MolPort-000-872-387
Ryan Scientific BB: 073-50379
Specs Building Blocks: AF-399/15187014...9 total

ref: mol2, SDF, SMILES, flexibase
1.37,0.75,-12.36,0,6,0, 253.645, 4

Similar to: 52272800,
160466
 
#12

Molport: MolPort-000-872-354
AKOS: AKOS002528566
Chembo Pharma: KB-83695
Enamine Building Blocks: EN300-07320
Labotest: LT00076809...20 total

ref: mol2, SDF, SMILES, flexibase
3.36,4.64,-4.95,2,3,0, 240.093, 1
2558608
 
#13

ChemMol: 1033321, 30101754, 97800838, 44002187
eMolecules: 2724466
Molport: MolPort-000-872-343
AKOS: AKOS000282944
Alfa-Aesar: H25821...49 total

ref: mol2, SDF, SMILES, flexibase
2.57,-1.2,-2.64,0,2,0, 227.876, 0
245263
 
#14

eMolecules: 1321698
Molport: MolPort-000-872-340
AKOS: AKOS000275984
Aldrich CPR: CDS002269|ALDRICH
Asinex: BAS01247542...39 total

ref: mol2, SDF, SMILES, flexibase
1.38,-0.7,-9.25,4,4,0, 208.242, 1
lo: mol2, SDF, SMILES, flexibase
1.38,-0.12,-31.27,5,4,1, 209.25, 1

Similar to: 5771917,
150885
 
#15

Molport: MolPort-000-872-339
AKOS: AKOS000112466
Aldrich CPR: CDS011497|ALDRICH
Chemstep: 56226
Enamine Building Blocks: EN300-45170...25 total

ref: mol2, SDF, SMILES, flexibase
2.53,-1.14,-8.45,2,3,0, 220.297, 3
lo: mol2, SDF, SMILES, flexibase
2.53,-1.16,-25.34,3,3,1, 221.305, 3

Similar to: 31892890,
14806673
 
#16

ChemMol: 30113392
AK Scientific: 7372AD
AKOS: AKOS000269477
APIChem: AC-8447
Chembo Pharma: KB-83785...25 total

ref: mol2, SDF, SMILES, flexibase
1.42,4.61,-11.39,1,3,0, 256.099, 3
291214
 
#17

eMolecules: 840664
Molport: MolPort-000-872-254
Scientific Exchange (make on demand): H-035336
AKOS: AKOS000269592
Ark Pharm Building Blocks: AK-97542...32 total

ref: mol2, SDF, SMILES, flexibase
2.41,-0.06,-8.34,1,3,0, 245.072, 3
1729595
 
#18

ChemMol: 30100382, 83601371
Acros Organics: 13789
AKOS: AKOS000120450
Alfa-Aesar: A14930
Angene Building Blocks: AGN-PC-0JKAGD...65 total

ref: mol2, SDF, SMILES, flexibase
1.52,3.96,-12.54,0,2,0, 134.134, 2

Similar to: 896404,
1482015
 
#19

ChemMol: 44031892
eMolecules: 536559
Molport: MolPort-000-872-249
Scientific Exchange (make on demand): R-064396
Acros Organics: 11068...63 total

ref: mol2, SDF, SMILES, flexibase
-2.57,-1.21,-17.93,3,4,0, 99.093, 1

Similar to: 34227059,
1871905
 
#20

eMolecules: 840238
Molport: MolPort-000-872-219
AK Scientific: X5171
Aldrich CPR: CDS016414|ALDRICH
Anward: ANW-55588...37 total

ref: mol2, SDF, SMILES, flexibase
1.73,-0.02,-9.2,2,3,0, 217.018, 1
17043787
 
#21

eMolecules: 840232
Molport: MolPort-000-872-218
Chembo Pharma: KB-46665
Enamine Building Blocks: EN300-37463
Innovapharm Building Blocks: BBS-00004671...17 total

ref: mol2, SDF, SMILES, flexibase
2.17,4.04,-8.77,0,3,0, 243.056, 1

Similar to: 34962606,
142738
 
#22

ChemMol: 44035096, 1203512
eMolecules: 717146
Molport: MolPort-000-872-211
Scientific Exchange: X-095753
AKOS: AKOS000269674...74 total

ref: mol2, SDF, SMILES, flexibase
1.96,3.96,-4.63,0,3,0, 205.007, 2
157318
 
#23

ChemMol: 30100673, 44008939, 1200393, 98000310
eMolecules: 500429
Molport: MolPort-000-872-210
Scientific Exchange (make on demand): F-441702
Acorn PharmaTech: ACN-S002229...90 total

ref: mol2, SDF, SMILES, flexibase
2.95,5.71,-7.13,0,1,0, 172.014, 0

Similar to: 5784333,
1682743
 
#24

ChemMol: 44008447, 30109743, 97801226
eMolecules: 840167
Molport: MolPort-000-872-208
Acorn PharmaTech: ACN-S004220, ACN-P000882
ACT Chemical BB: ACT03638...63 total

ref: mol2, SDF, SMILES, flexibase
1.62,3.77,-7.83,0,3,0, 171.583, 2

Similar to: 34622230,
3222755
 
#25

eMolecules: 840119
Molport: MolPort-000-872-201
Enamine: Z55848489
Enamine Building Blocks: EN300-04134
Innovapharm Building Blocks: BBS-00004634...18 total

ref: mol2, SDF, SMILES, flexibase
1.66,3.35,-11.36,4,6,0, 254.334, 7

Similar to: 37987025, 37987026, 37987027, 37987028, 37987029, ... 48 in total.
2852352
 
#26

eMolecules: 840111
Molport: MolPort-000-872-199
AKOS: AKOS000116083
ChemBridge: 7789663
Enamine: Z56869482...22 total

ref: mol2, SDF, SMILES, flexibase
4.79,1.61,-7.64,2,3,0, 288.35, 2

Similar to: 34040943,
1385063
 
#27

eMolecules: 840103
Molport: MolPort-000-872-198
Scientific Exchange (make on demand): POD_18/0931
AK Scientific: 2327AE
AKOS: AKOS000266045...33 total

ref: mol2, SDF, SMILES, flexibase
2.34,6.64,-10.1,0,2,0, 197.665, 3

Similar to: 1558027,
17173217
 
#28

eMolecules: 701519, 31661042, 840085, 1315427
Molport: MolPort-001-957-152, MolPort-000-872-195
Scientific Exchange (make on demand): Z-000793
AK Scientific: V4737
AKOS: AKOS000269709...94 total

ref: mol2, SDF, SMILES, flexibase
0.20,2.28,-11.31,3,4,0, 152.079, 1
hi: mol2, SDF, SMILES, flexibase
0.20,2.12,-35.12,2,4,-1, 151.071, 1

Similar to: 39283779,
3880452
 
#29

ChemMol: 97801477
eMolecules: 840075
Molport: MolPort-000-872-194
Scientific Exchange (make on demand): H-000898
AK Scientific: V6969...38 total

ref: mol2, SDF, SMILES, flexibase
0.30,0.4,-9.21,2,4,0, 200.263, 2

Similar to: 36978916, 37078266,
122695
 
#30

eMolecules: 840071
Molport: MolPort-000-872-193
Scientific Exchange (make on demand): Q-017782
AK Scientific: 4782AE
AKOS: AKOS000115269...41 total

ref: mol2, SDF, SMILES, flexibase
0.68,4.76,-17.96,1,3,0, 188.23, 4

Similar to: 35919453, 44810656, 44810658,
391172
 
#31

ChemMol: 1030252
eMolecules: 526873
Molport: MolPort-000-872-188
Acros Organics: 12576
AK Scientific: I235...61 total

ref: mol2, SDF, SMILES, flexibase
1.28,1.33,-5.04,1,2,0, 138.166, 2

Similar to: 2586029,
6576232
 
#32

Molport: MolPort-000-872-186
AK Scientific: 0680AA
AKOS: AKOS000269670
Anward: ANW-55854
Ark Pharm Building Blocks: AK-56029...39 total

ref: mol2, SDF, SMILES, flexibase
3.12,9.24,-12.12,1,3,0, 333.21, 1
mid: mol2, SDF, SMILES, flexibase
3.85,8.96,-40.78,0,3,-1, 332.202, 1

Similar to: 7045301, 38618299,
5912945
 
#33

Aldrich CPR: TMT00533|ALDRICH
Chembo Pharma: KB-98660
Enamine Building Blocks: EN300-110883
Innovapharm Building Blocks: BBS-00004591
Mcule: MCULE-9603893528...10 total

ref: mol2, SDF, SMILES, flexibase
2.13,-5.95,-10.71,4,5,0, 244.298, 3
9361185
 
#34

ChemMol: 44021801
eMolecules: 839983, 6374996
Molport: MolPort-000-872-175
Scientific Exchange (make on demand): F-331338
AKOS: AKOS000269726...36 total

ref: mol2, SDF, SMILES, flexibase
2.50,5.41,-6.97,1,5,0, 246.266, 5
ref: mol2, SDF, SMILES, flexibase
2.50,5.39,-8.8,1,5,0, 246.266, 5

Similar to: 4517794, 4607100,
387837
 
#35

Angene Building Blocks: AGN-PC-0OCXNL
Anward: ANW-33300
Chembo Pharma: KB-86294
Combi-Blocks: HC-3890
Enamine Building Blocks: EN300-110880...15 total

ref: mol2, SDF, SMILES, flexibase
2.89,6.79,-6.12,1,4,0, 230.267, 4
ref: mol2, SDF, SMILES, flexibase
2.89,6.77,-7.52,1,4,0, 230.267, 4

Similar to: 3882295, 12110468, 21752368, 21752372, ... 4 in total.
36724806
 
#36

Chembo Pharma: KB-98562
Enamine Building Blocks: EN300-110879
EvoBlocks: EB26786
Innovapharm Building Blocks: BBS-00004587
Molport BB: MolPort-000-872-173...8 total

ref: mol2, SDF, SMILES, flexibase
3.26,7.32,-6.36,1,4,0, 244.294, 4
36724804
 
#37

eMolecules: 25054438
Molport: MolPort-000-872-171
AKOS: AKOS000269697
Chembo Pharma: KB-89273
Enamine Building Blocks: EN300-110875...17 total

ref: mol2, SDF, SMILES, flexibase
-1.02,-0.28,-12.82,1,6,0, 244.32, 2
mid: mol2, SDF, SMILES, flexibase
-1.02,0.97,-49.33,2,6,1, 245.328, 2
97021
 
#38

eMolecules: 839931
Molport: MolPort-000-872-166
AK Scientific: HTS005232, 2153AE
AKOS: AKOS000198489
Aldrich CPR: S549460|ALDRICH...42 total

ref: mol2, SDF, SMILES, flexibase
1.31,4.53,-11.82,0,4,0, 186.17, 1

Similar to: 6582992, 25492299, 39278957,
80737
 
#39

ChemMol: 30101543
eMolecules: 535003
Molport: MolPort-000-872-165
Scientific Exchange (make on demand): POD_74/0977
AKOS: AKOS000567737...46 total

ref: mol2, SDF, SMILES, flexibase
3.23,9.62,-11.67,0,2,0, 222.243, 1

Similar to: 2145182, 5945938, 33844395, 34606257, 34821273, ... 8 in total.
1712794
 
#40

eMolecules: 475008
Molport: MolPort-000-872-154
Acorn PharmaTech: ACN-S002408
Acros Organics: 18131
Alfa-Aesar: B21174...95 total

ref: mol2, SDF, SMILES, flexibase
0.97,5.29,-8.12,0,4,0, 174.196, 7

Similar to: 2597026, 1680660, 1699959, 1613269, ... 4 in total.
1689806
 
#41

Chembo Pharma: KB-86664
Element Store BB: b2star-6626-23-9
Enamine Building Blocks: EN300-110856
Innovapharm Building Blocks: BBS-00004543
Molport BB: MolPort-000-872-151...19 total

ref: mol2, SDF, SMILES, flexibase
4.07,1.62,-4.08,0,0,0, 190.673, 1
58290
 
#42

eMolecules: 678220
Molport: MolPort-000-872-149
Scientific Exchange: POD_33/0905
AKOS: AKOS000269721
Aldrich CPR: R818569|ALDRICH...29 total

ref: mol2, SDF, SMILES, flexibase
1.78,4.37,-8.6,1,3,0, 188.23, 1

Similar to: 34468512, 34483022, 39645942, 41229013, ... 4 in total.
5416767
 
#43

Molport: MolPort-000-872-148
AKOS: AKOS000269713
Chembo Pharma: KB-93845
Enamine Building Blocks: EN300-110853
Innovapharm Building Blocks: BBS-00004538...12 total

ref: mol2, SDF, SMILES, flexibase
3.91,-2.28,-6.03,0,3,0, 261.756, 1

Similar to: 6625317, 2404980,
331724
 
#44

ChemMol: 30111982, 44019252, 51500222
eMolecules: 839833
Molport: MolPort-000-872-147
Scientific Exchange (make on demand): M-697377
A&J Pharmtech: AJ-00700...71 total

ref: mol2, SDF, SMILES, flexibase
2.76,-0.9,-6.67,0,2,0, 178.622, 0

Similar to: 6584293, 39270978, 39273597,
21981770
 
#45

ChemMol: 44027167, 1032627
eMolecules: 839829
Molport: MolPort-000-872-146
AK Scientific: Y5044
Aldrich CPR: S927333|ALDRICH...35 total

ref: mol2, SDF, SMILES, flexibase
1.13,0.72,-7.57,4,3,0, 202.055, 0
18995692
 
#46

ChemMol: 1032630, 42307151, 44008690
eMolecules: 716747
Molport: MolPort-000-872-145
Acros Organics: 35034
AK Scientific: X3364...53 total

ref: mol2, SDF, SMILES, flexibase
0.78,0.13,-4.62,4,3,0, 143.577, 0
2146936
 
#47

ChemMol: 83602938
eMolecules: 839823
Molport: MolPort-000-872-143
AK Scientific: 6094AE, HTS004754
AKOS: AKOS000199246...37 total

ref: mol2, SDF, SMILES, flexibase
0.75,1.59,-10.42,3,4,0, 180.207, 3

Similar to: 33790336, 1257001, 1259550,
36724790
 
#48

Chembo Pharma: KB-98512
Enamine Building Blocks: EN300-110850
Innovapharm Building Blocks: BBS-00004532
Molport BB: MolPort-000-872-142
Ryan Scientific BB: 047-77872...7 total

ref: mol2, SDF, SMILES, flexibase
1.44,2.96,-10.74,4,5,0, 230.271, 2
8968756
 
#49

eMolecules: 589214
Molport: MolPort-000-872-141
AKOS: AKOS000269693
Chembo Pharma: KB-98544
ChemDiv: 3253-3963...26 total

ref: mol2, SDF, SMILES, flexibase
0.62,1.02,-12.64,4,6,0, 232.243, 3

Similar to: 32264998,
5941603
 
#50

eMolecules: 25054412
Molport: MolPort-000-872-140
AK Scientific: HTS004690
Alinda Building Blocks: ALBB-020840
Chembo Pharma: KB-98563...20 total

ref: mol2, SDF, SMILES, flexibase
1.44,2.65,-10.94,4,5,0, 230.271, 2
ref: mol2, SDF, SMILES, flexibase
1.44,2.59,-9.62,4,5,0, 230.271, 2
6118700
 
#51

Enamine Building Blocks: EN300-110842
Innovapharm Building Blocks: BBS-00004524
Molport BB: MolPort-000-872-139
Ryan Scientific BB: 047-77864
Innovapharm Make-on-Demand: VT-00681869...14 total

ref: mol2, SDF, SMILES, flexibase
0.47,-10.96,-10.74,6,6,0, 190.21, 2
408746
 
#52

Chembo Pharma: KB-98642
Enamine Building Blocks: EN300-110841
Innovapharm: STT-00378082
Innovapharm Building Blocks: BBS-00004523
Molport BB: MolPort-000-872-138...11 total

ref: mol2, SDF, SMILES, flexibase
1.53,-6.27,-10.82,4,5,0, 230.271, 3
18217719
 
#53

eMolecules: 857770, 857857, 839765
Molport: MolPort-000-872-131
AKOS: AKOS000269644
Chembo Pharma: KB-108831, KB-99225
Enamine Building Blocks: EN300-110833...36 total

ref: mol2, SDF, SMILES, flexibase
2.20,5.86,-11.19,0,3,0, 188.23, 1
mid: mol2, SDF, SMILES, flexibase
2.42,3.75,-8.63,1,3,0, 188.23, 1

Similar to: 3646337, 6609934, 9530926,
5212215
 
#54

eMolecules: 1967725, 857788, 520870
Molport: MolPort-002-325-457, MolPort-000-872-130, MolPort-000-844-873
Scientific Exchange (make on demand): F-175356, H-083012
AK Scientific: R638
AKOS: AKOS000269643...71 total

ref: mol2, SDF, SMILES, flexibase
2.01,5.47,-13.14,1,3,0, 208.648, 1
ref: mol2, SDF, SMILES, flexibase
2.46,5.72,-9.41,0,3,0, 208.648, 1
mid: mol2, SDF, SMILES, flexibase
2.46,3.55,-6.07,1,3,0, 208.648, 1

Similar to: 38004135,
30769205
 
#55

eMolecules: 25054402
Molport: MolPort-000-872-129
AKOS: AKOS000112495
Chembo Pharma: KB-98643
Enamine: Z847506740...17 total

ref: mol2, SDF, SMILES, flexibase
2.98,6.6,-7.77,1,4,0, 230.267, 4
2559127
 
#56

ChemMol: 83603216
eMolecules: 839733
Molport: MolPort-000-872-128
Scientific Exchange (make on demand): F-331340
AK Scientific: HTS028185...41 total

ref: mol2, SDF, SMILES, flexibase
3.55,1.34,-8.32,0,2,0, 204.66, 1

Similar to: 26420476, 34451534,
2571499
 
#57

eMolecules: 562319
Molport: MolPort-000-872-124
Scientific Exchange (make on demand): F-112658
Acorn PharmaTech: ACN-000071
AKOS: AKOS000260328...50 total

ref: mol2, SDF, SMILES, flexibase
2.08,1.25,-6.67,2,5,0, 265.7, 4

Similar to: 39381776,
12412607
 
#58

ChemMol: 30106953, 83601389
eMolecules: 207297884, 839707
Molport: MolPort-019-724-317, MolPort-000-872-122, MolPort-000-874-937
Scientific Exchange (make on demand): POD_84/0130
AK Scientific: M452...68 total

ref: mol2, SDF, SMILES, flexibase
3.45,7.2,-8.72,0,2,0, 201.269, 1

Similar to: 33782045, 225702,
331637
 
#59

CCP W191G non-binders: MFCD00006372
ChemMol: 1201312, 30103855, 44003590
eMolecules: 494759
Molport: MolPort-000-872-120
Scientific Exchange (make on demand): Z-001798...112 total

ref: mol2, SDF, SMILES, flexibase
0.46,3.14,-6.03,0,2,0, 104.112, 0
lo: mol2, SDF, SMILES, flexibase
0.46,3.41,-41.57,1,2,1, 105.12, 0
331641
 
#60

ChemMol: 1201313, 44015331, 1201328, 96700300
eMolecules: 494763
Molport: MolPort-000-872-119
Acorn PharmaTech: ACN-S002217
Acros Organics: 11087...115 total

ref: mol2, SDF, SMILES, flexibase
0.40,3.12,-5.52,0,2,0, 104.112, 0
lo: mol2, SDF, SMILES, flexibase
0.40,3.4,-42.12,1,2,1, 105.12, 0
4126715
 
#61

ChemMol: 1030856
eMolecules: 493193
Molport: MolPort-000-872-116
Scientific Exchange (make on demand): X-047757
AKOS: AKOS000119461...44 total

ref: mol2, SDF, SMILES, flexibase
3.01,-0.44,-7.88,2,3,0, 213.236, 1

Similar to: 31484016,
1393427
 
#62

eMolecules: 839665
Molport: MolPort-000-872-113
AKOS: AKOS000269089
Alfa-Aesar: H50494, H33125
Chembo Pharma: KB-152247...29 total

ref: mol2, SDF, SMILES, flexibase
4.74,1.27,-10.67,0,2,0, 254.72, 2
13952160
 
#63

Amidohydrolase AH-EFI: 2-aminopyridine
ChemMol: 1201309, 83600912, 44014077, 44016490
eMolecules: 477183
Molport: MolPort-000-872-112
Scientific Exchange (make on demand): Z-098443...244 total

ref: mol2, SDF, SMILES, flexibase
0.52,1.48,-4.52,2,2,0, 94.117, 0

Similar to: 4798508,
14008042
 
#64

Molport: MolPort-009-196-467
AK Scientific: 2304AA
Anward: ANW-55836
Ark Pharm Building Blocks: AK-56389, AK-31746
BePharm Building Blocks: B107260...28 total

ref: mol2, SDF, SMILES, flexibase
3.08,5.03,-6.39,2,2,0, 255.14, 1
lo: mol2, SDF, SMILES, flexibase
3.08,5.3,-29.19,3,2,1, 256.148, 1
36724781
 
#65

eMolecules: 25054400
Molport: MolPort-000-872-108
Chembo Pharma: KB-98731
Enamine: Z1431321887
Enamine Building Blocks: EN300-110814...12 total

ref: mol2, SDF, SMILES, flexibase
2.45,10.23,-11.14,0,3,0, 272.344, 3
mid: mol2, SDF, SMILES, flexibase
3.03,8.76,-45.66,0,3,-1, 271.336, 3
324209
 
#66

eMolecules: 839629, 6829654
Molport: MolPort-002-741-085, MolPort-000-872-107
Scientific Exchange (make on demand): F-139148, F-139160
AKOS: AKOS000269085
Alinda: IBS-L0040112...24 total

ref: mol2, SDF, SMILES, flexibase
2.68,9.74,-19.11,0,3,0, 292.762, 3
mid: mol2, SDF, SMILES, flexibase
3.26,9.8,-43.64,0,3,-1, 291.754, 3
mid: mol2, SDF, SMILES, flexibase
3.26,7.17,-11.91,1,3,0, 292.762, 3
34204071
 
#67

Chembo Pharma: KB-93220
Enamine Building Blocks: EN300-110812
Innovapharm Building Blocks: BBS-00004458
Molport BB: MolPort-000-872-106
Ryan Scientific BB: 047-77834...8 total

ref: mol2, SDF, SMILES, flexibase
2.06,8.83,-11.56,0,4,0, 288.343, 4
mid: mol2, SDF, SMILES, flexibase
2.64,7.4,-44.56,0,4,-1, 287.335, 4

Similar to: 34401706, 39388668,
1648270
 
#68

ChemMol: 83600674
eMolecules: 480976
Molport: MolPort-000-872-105
Acros Organics: 15918
AK Scientific: K733...81 total

ref: mol2, SDF, SMILES, flexibase
0.79,4.56,-4.82,0,4,0, 146.142, 5
372404
 
#69

eMolecules: 441587
Molport: MolPort-000-872-103
Scientific Exchange: SB_01/K2413
Scientific Exchange (make on demand): C-096526
AKOS: AKOS000104099...46 total

ref: mol2, SDF, SMILES, flexibase
2.70,-1.24,-15.97,1,3,0, 240.715, 2

Similar to: 4201880,
2039318
 
#70

ChemMol: 1031716, 44027971
AK Scientific: Z5471
Ark Pharm Building Blocks: AK110950
BePharm Building Blocks: B78639
Bide Pharmatech BB: BD78639...32 total

ref: mol2, SDF, SMILES, flexibase
3.54,6.15,-1.88,0,0,0, 140.251, 1

Similar to: 5761688, 32005445,
1724464
 
#71

ChemMol: 30111472
eMolecules: 535300
Molport: MolPort-000-872-094
Scientific Exchange (make on demand): POD_72/0500
AK Scientific: L896...45 total

ref: mol2, SDF, SMILES, flexibase
4.16,9.2,-4.31,0,0,0, 245.119, 0
1706
 
#72

ChemMol: 30100397, 44008526, 1202892
eMolecules: 519007
Molport: MolPort-000-872-088
TCM Database @ Taiwan: 30538
Acros Organics: 12721...114 total

ref: mol2, SDF, SMILES, flexibase
0.53,3.38,-6.29,0,3,0, 137.138, 2
85247
 
#73

ChemMol: 1031084, 30106392, 97800539, 44005316
eMolecules: 492754, 839542
Molport: MolPort-000-872-087
Scientific Exchange (make on demand): F-393750
ACB Blocks: AHY-0006...109 total

ref: mol2, SDF, SMILES, flexibase
1.83,2.68,-3.81,3,2,0, 142.589, 1

Similar to: 39284046,
1648294
 
#74

eMolecules: 476688
Molport: MolPort-000-872-086
Acorn PharmaTech: ACN-S002411
Acros Organics: 15054
Alfa-Aesar: A15777...77 total

ref: mol2, SDF, SMILES, flexibase
0.71,5.58,-5.7,0,4,0, 174.196, 7

Similar to: 2387305, 32155058,
5943507
 
#75

ChemMol: 30106612, 83601284, 97800852, 44002484, 83601336
eMolecules: 36623276, 532575
Molport: MolPort-000-872-085, MolPort-003-749-451
Acros Organics: 13928, 18899
AKOS: AKOS000120326...253 total

ref: mol2, SDF, SMILES, flexibase
-0.61,2.47,-7.08,1,3,0, 69.067, 0
968333
 
#76

ChemMol: 30112555
eMolecules: 480275
Molport: MolPort-000-872-083
Acros Organics: 15613
ACT Chemical BB: ACT08954...326 total

ref: mol2, SDF, SMILES, flexibase
3.83,1.27,-4.59,0,0,0, 166.223, 0

Similar to: 32254221,
1680639
 
#77

ChemMol: 44029399, 97804516
L99A binders: PHENYLACETYLENE
L99A/M102Q binders: PHENYLACETYLENE
Molport: MolPort-000-872-082
Acros Organics: 15246...190 total

ref: mol2, SDF, SMILES, flexibase
1.70,2.66,-3.96,0,0,0, 102.136, 0
3860302
 
#78

eMolecules: 495291
Molport: MolPort-000-872-080
Scientific Exchange (make on demand): M-663131
Acros Organics: 11120
AK Scientific: M218...98 total

ref: mol2, SDF, SMILES, flexibase
1.85,1.81,-4.49,1,2,0, 113.16, 0
ref: mol2, SDF, SMILES, flexibase
2.04,2.22,-1.58,0,2,0, 113.16, 1
1712
 
#79

ChemMol: 98000256, 44033183, 1201242, 30104685
eMolecules: 513564
Molport: MolPort-000-872-072
TCM Database @ Taiwan: 42596
Acros Organics: 12696...256 total

ref: mol2, SDF, SMILES, flexibase
1.63,2.31,-6.78,1,3,0, 152.149, 2
8579603
 
#80

CCP W191G binders: MFCD00005325
ChemMol: 44010272, 97804499
eMolecules: 477239
Molport: MolPort-002-323-929, MolPort-023-219-642, MolPort-000-872-071
Scientific Exchange (make on demand): POD_14/0948...187 total

ref: mol2, SDF, SMILES, flexibase
0.48,0.61,-5.02,2,2,0, 100.146, 0
lo: mol2, SDF, SMILES, flexibase
0.48,1.12,-27.14,3,2,1, 101.154, 0
8294959
 
#81

ChemMol: 44013931
Molport: MolPort-000-872-070
Alfa-Aesar: L03489
Chembo Pharma: KB-28426
Enamine Building Blocks: EN300-93082...50 total

ref: mol2, SDF, SMILES, flexibase
1.53,3.93,-4.11,0,1,0, 107.156, 0
lo: mol2, SDF, SMILES, flexibase
1.53,4.21,-28.52,1,1,1, 108.164, 0

Similar to: 34327568,
1608901
 
#82

ChemMol: 44007549
Molport: MolPort-000-872-066
Acros Organics: 12619
Alfa-Aesar: A13128
Amadis Chemical: A845578...204 total

ref: mol2, SDF, SMILES, flexibase
0.82,2.64,-5.55,0,2,0, 86.09, 2
1532047
 
#83

eMolecules: 480994
Molport: MolPort-000-872-065
Acros Organics: 15927
Alfa-Aesar: A15359
Angene Building Blocks: AGN-PC-0JK9VT...58 total

ref: mol2, SDF, SMILES, flexibase
0.04,2.71,-5.5,0,4,0, 118.088, 3
407043
 
#84

eMolecules: 489722
Molport: MolPort-000-872-064
AK Scientific: 9207AB
AKOS: AKOS000119414
Alfa-Aesar: A11979...42 total

ref: mol2, SDF, SMILES, flexibase
0.94,3.95,-6.24,0,3,0, 140.138, 2

Similar to: 32149198, 36761503,
967345
 
#85

ChemMol: 30106906
eMolecules: 481359
L99A non-binders: 2-BENZYLPYRIDINE
Molport: MolPort-000-872-063
AK Scientific: L201...73 total

ref: mol2, SDF, SMILES, flexibase
2.73,0.97,-5.14,0,1,0, 169.227, 2
lo: mol2, SDF, SMILES, flexibase
2.73,1.16,-29.79,1,1,1, 170.235, 2

Similar to: 32009658, 34356002, 39241531, 39241532, 39298977, ... 5 in total.
967928
 
#86

ChemMol: 44010204, 30100435
eMolecules: 480445
Molport: MolPort-000-872-059
Scientific Exchange (make on demand): Q-016151
Acros Organics: 15697...247 total

ref: mol2, SDF, SMILES, flexibase
2.64,3.92,-5,1,1,0, 144.173, 0
143376
 
#87

ChemMol: 83603004, 1034162, 30103324, 44003164
eMolecules: 476553
Molport: MolPort-000-872-056
Scientific Exchange (make on demand): C-047207
Acros Organics: 10316...101 total

ref: mol2, SDF, SMILES, flexibase
2.83,5.86,-6.82,2,2,0, 197.237, 2

Similar to: 34376560, 39643330,
1736702
 
#88

eMolecules: 475859
Molport: MolPort-000-872-053
Acros Organics: 37686
AK Scientific: X0341
Alfa-Aesar: A19492...46 total

ref: mol2, SDF, SMILES, flexibase
1.98,1.91,-1.94,0,1,0, 87.147, 1
157657
 
#89

eMolecules: 839477
Molport: MolPort-000-872-052
Scientific Exchange: POD_06/0174
Acorn PharmaTech: ACN-C001136
AK Scientific: 4409AD...57 total

ref: mol2, SDF, SMILES, flexibase
2.60,4.03,-3.08,4,2,0, 184.242, 1

Similar to: 1259547, 39311167,
388099
 
#90

ChemMol: 44009161
L99A/M102Q non-binders: MFCD00007573
Molport: MolPort-003-925-976, MolPort-000-872-047, MolPort-023-219-639
Acros Organics: 15155, 29668
AK Scientific: S662...226 total

ref: mol2, SDF, SMILES, flexibase
1.18,2.17,-3.39,3,2,0, 108.144, 1
lo: mol2, SDF, SMILES, flexibase
1.18,1.98,-43.78,4,2,1, 109.152, 1

Similar to: 6661295,
3861356
 
#91

ChemMol: 44006094, 83603561
eMolecules: 476760
Molport: MolPort-000-872-046
Acorn PharmaTech: ACN-000264
Acros Organics: 18156...228 total

ref: mol2, SDF, SMILES, flexibase
-1.05,-3.85,-9.36,0,6,0, 264.318, 0
1866749
 
#92

ChemMol: 44022233, 96700136
eMolecules: 489076
Molport: MolPort-000-872-045
Acros Organics: 10826
AK Scientific: K546...354 total

ref: mol2, SDF, SMILES, flexibase
3.47,6.71,-5.59,1,1,0, 167.211, 0

Similar to: 39047179, 39261870, 39319718,
895934
 
#93

ChemMol: 30106595, 44005439
eMolecules: 530624
L99A/M102Q binders: 2-PHENYLETHANOL
Molport: MolPort-000-872-041
TCM Database @ Taiwan: tcm03_000856...233 total

ref: mol2, SDF, SMILES, flexibase
1.49,2.6,-3.48,1,1,0, 122.167, 2

Similar to: 4072081,
1690325
 
#94

ChemMol: 44010705, 96700153
eMolecules: 537912
Molport: MolPort-000-872-036
Acorn PharmaTech: ACN-S002752
AK Scientific: M761...57 total

ref: mol2, SDF, SMILES, flexibase
3.91,1.65,-6.03,0,1,0, 195.265, 1

Similar to: 34632993, 38226757, 39250917,
2038441
 
#95

eMolecules: 494405
Molport: MolPort-000-872-030
TCM Database @ Taiwan: tcm03_005326, tcm03_004462
Acros Organics: 12560
Alfa-Aesar: A15111...74 total

ref: mol2, SDF, SMILES, flexibase
1.53,4.13,-4.42,0,1,0, 98.145, 1

Similar to: 34573247,
1845882
 
#96

ChemMol: 44006182, 1201795
eMolecules: 486034
Molport: MolPort-000-872-029
Acros Organics: 17764
Alfa-Aesar: A15641...70 total

ref: mol2, SDF, SMILES, flexibase
0.29,5.31,-14.46,0,3,0, 164.588, 5

Similar to: 5856537, 5857231, 38272077, 39375236, 39375237, ... 5 in total.
5650471
 
#97

ChemMol: 1203053, 44001843, 30108918
eMolecules: 474186
Acros Organics: 22040, 11797
Aldrich CPR: S813079|ALDRICH
Alfa-Aesar: A12544...236 total

ref: mol2, SDF, SMILES, flexibase
0.59,0.34,-6.37,2,3,0, 130.143, 3
hi: mol2, SDF, SMILES, flexibase
0.59,1.33,-41.82,1,3,-1, 129.135, 3

Similar to: 39243814,
5133396
 
#98

eMolecules: 531629
Molport: MolPort-000-872-027
TCM Database @ Taiwan: 45044
Acros Organics: 34865
Alfa-Aesar: A13503...348 total

ref: mol2, SDF, SMILES, flexibase
-0.86,-0.67,-9.3,1,3,0, 99.089, 0
1699888
 
#99

ChemMol: 44026745, 44006420
L99A binders: INDENE
L99A/M102Q binders: INDENE
Molport: MolPort-000-872-023
Acros Organics: 12214...219 total

ref: mol2, SDF, SMILES, flexibase
2.48,6.29,-3.37,0,0,0, 116.163, 0
2034866
 
#100

ChemMol: 1201557
Molport: MolPort-000-872-022
Acros Organics: 18108, 11825, 43079
Alfa-Aesar: L06311
Anward: ANW-44937...59 total

ref: mol2, SDF, SMILES, flexibase
1.14,2.83,-2.67,0,2,0, 108.524, 2

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 = 548 ) limit 0,100

Smiles were