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34229401
 
#1

Molport: MolPort-023-220-629
Acorn PharmaTech: ACN-C001143
AK Scientific: V0761
Anward: ANW-54000
Ark Pharm Building Blocks: AK-86048...28 total

ref: mol2, SDF, SMILES, flexibase
4.82,9.63,-9.97,1,5,0, 383.879, 6

Similar to: 40770924, 40770952, 40771096, 40771104, ... 9 in total.
2572329
 
#2

ChemMol: 30104884, 97801632, 44004307
Angene Building Blocks: AGN-PC-0KKPCJ
Anward: ANW-46163
Apexmol Building Blocks: AM90548
APIChem: AC-1163...64 total

ref: mol2, SDF, SMILES, flexibase
2.48,-0.73,-4.26,0,1,0, 168.048, 1
2140829
 
#3

ChemMol: 44016175, 30101485
eMolecules: 486801
Molport: MolPort-000-871-740
Acros Organics: 34549
Alfa-Aesar: A11856...50 total

ref: mol2, SDF, SMILES, flexibase
4.22,8.1,-2.27,0,0,0, 182.694, 2
391826
 
#4

ChemMol: 97800034, 30100271, 44000374
eMolecules: 509035
Molport: MolPort-002-498-184
TCM Database @ Taiwan: 31637, tcm03_006499
Acros Organics: 12955...138 total

ref: mol2, SDF, SMILES, flexibase
1.36,-0.54,-5.48,2,2,0, 124.139, 0
hi: mol2, SDF, SMILES, flexibase
0.87,2.41,-47.04,0,2,-1, 123.131, 0
105208
 
#5

ChemMol: 96700167, 1037561, 80101408
eMolecules: 507503
Molport: MolPort-001-766-684
Scientific Exchange (make on demand): POD_11/0532
Acros Organics: 11738...79 total

ref: mol2, SDF, SMILES, flexibase
4.06,0.09,-7.4,0,2,0, 221.259, 2

Similar to: 726069, 3178432, 5781758, 32136924, 33836343, ... 9 in total.
1641023
 
#6

ChemMol: 44010100
eMolecules: 478542
Molport: MolPort-001-767-916
Acros Organics: 14939
Alfa-Aesar: L12570...90 total

ref: mol2, SDF, SMILES, flexibase
-0.86,-0.71,-6.36,1,2,0, 71.079, 1
1706222
 
#7

ChemMol: 30100965, 97806319, 97806322, 97806325, 97806329, 44010107, 83600425, 44003548, 97806234, 97806237, 97806317, 97806320, 97806323, 83601338, 44032756, 97806326, 44022704, 97806332, 44010108, 97800566, 97802816, 97806235, 97806266, 30100966, 97806318, 97806321, 1202767, 97806324, 97806328, 44021981, 97806339, 97803238, 97806236, 97806316
Molport: MolPort-020-006-412, MolPort-020-006-416, MolPort-020-006-419, MolPort-020-006-422, MolPort-020-006-425, MolPort-020-006-429, MolPort-020-006-433, MolPort-020-006-413, MolPort-001-768-916, MolPort-020-006-417, MolPort-020-006-420, MolPort-020-006-423, MolPort-020-006-426, MolPort-020-006-430, MolPort-020-006-436, MolPort-020-006-109, MolPort-020-006-415, MolPort-020-006-418, MolPort-020-006-421, MolPort-020-006-424, MolPort-020-006-427, MolPort-020-006-431
Scientific Exchange: L19/LTRi-263, POD_29/0148
Scientific Exchange (make on demand): POD_14/0979
Acorn PharmaTech: ACN-S003618...3293 total

ref: mol2, SDF, SMILES, flexibase
2.12,12.53,-28.85,0,1,1, 242.471, 12

Similar to: 1722767, 2026895, 32136911, 32151675, 32153456, ... 13 in total.
2510898
 
#8

Ark Pharm Building Blocks: AK117705, AK123289
Catsyn: SC11862
Chembo Pharma: KB-296217
Sigma Aldrich (Building Blocks): 77939|ALDRICH
Tetrahedron Building Blocks: TS82992...13 total

ref: mol2, SDF, SMILES, flexibase
8.79,1.03,-5.05,2,2,0, 406.61, 3

Similar to: 38209157, 38248478,
2506811
 
#9

Catsyn: SC11859
J&K Chemical: A01589527
Molport BB: MolPort-003-936-253
Sigma Aldrich (Building Blocks): 540595|ALDRICH, 540587|ALDRICH
Tetrahedron Building Blocks: TS82427...14 total

ref: mol2, SDF, SMILES, flexibase
6.99,-3.55,-6.27,2,2,0, 452.186, 1

Similar to: 8689806,
1700183
 
#10

ChemMol: 44023026, 1030737, 1030738
AK Scientific: X6102, 9994AB
Ark Pharm Building Blocks: AK-11085, AK-42949, AK-11090
BePharm Building Blocks: B210308, B48120
Capot Chemical: 8169...53 total

ref: mol2, SDF, SMILES, flexibase
7.09,-3.22,-6.57,2,2,0, 444.122, 1
2510896
 
#11

ChemMol: 44023392
AK Scientific: 6933AA, 8973AA
Alfa-Aesar: H31791, H32889
Ark Pharm Building Blocks: AK-42965, AK-42950, AK-42966
BePharm Building Blocks: B210276...28 total

ref: mol2, SDF, SMILES, flexibase
6.01,1.81,-10.59,0,4,0, 374.436, 7

Similar to: 32147635, 34353637, 34576788, 38233666, 38264916, ... 9 in total.
2576980
 
#12

AK Scientific: 0008AC
Alfa-Aesar: H36142, H37716
Ark Pharm Building Blocks: AK-41006, AK-42961, AK-44447
BePharm Building Blocks: B168302, B1234
Catsyn: SC11841...37 total

ref: mol2, SDF, SMILES, flexibase
5.52,-2.18,-5.92,2,2,0, 294.394, 1

Similar to: 5750223,
2506658
 
#13

ChemMol: 44028691, 44000421, 1030736
Acros Organics: 38465
Alfa-Aesar: H55445
Aromalake BB: LS30129
Capot Chemical: 8159...37 total

ref: mol2, SDF, SMILES, flexibase
6.99,-3.05,-7.94,2,2,0, 444.122, 1
2584043
 
#14

AK Scientific: 2305AC
Ark Pharm Building Blocks: AK113357
BePharm Building Blocks: B64182
Catsyn: SC11835
Chembo Pharma: KB-224822...10 total

ref: mol2, SDF, SMILES, flexibase
2.66,8.35,-13.15,0,2,0, 198.306, 5

Similar to: 26545027, 1648385,
4807339
 
#15

Molport: MolPort-000-929-291
Acros Organics: 38632
AK Scientific: 1341AC
AKOS: AKOS004115499
Alfa-Aesar: L13104...41 total

ref: mol2, SDF, SMILES, flexibase
1.00,6.08,-13.8,0,2,0, 142.198, 3
1688310
 
#16

ChemMol: 30114407, 44010311
eMolecules: 485950
Molport: MolPort-001-783-877
Acros Organics: 34619
AK Scientific: W8968...56 total

ref: mol2, SDF, SMILES, flexibase
0.81,4.47,-9.85,0,2,0, 140.182, 1

Similar to: 32150932, 38233915, 38233916, 39249069, 39249070, ... 7 in total.
388460
 
#17

Acros Organics: 36701
AKOS: AKOS000278431
Anward: ANW-63725
Ark Pharm Building Blocks: AK-72770
BePharm Building Blocks: B76492...22 total

ref: mol2, SDF, SMILES, flexibase
1.13,5.17,-8.97,0,3,0, 156.181, 2

Similar to: 5743107, 32225812, 33822445, 34568365, 34568367, ... 14 in total.
388459
 
#18

Acros Organics: 36701
AKOS: AKOS000278431
Anward: ANW-63725
Ark Pharm Building Blocks: AK-72770
BePharm Building Blocks: B76492...21 total

ref: mol2, SDF, SMILES, flexibase
1.13,5.18,-8.6,0,3,0, 156.181, 2

Similar to: 4823293, 4823306, 5743107, 32225812, 33822445, ... 16 in total.
160798
 
#19

ChemMol: 44003169, 30103335
eMolecules: 484922
Molport: MolPort-000-860-789
Acros Organics: 17358
ACT Chemical BB: ACT02958...88 total

ref: mol2, SDF, SMILES, flexibase
1.00,4.81,-6.95,0,3,0, 156.181, 3

Similar to: 1561951, 34618556, 34618558, 38218650, 38218651, ... 7 in total.
160796
 
#20

ChemMol: 44003169, 30103335
eMolecules: 484922
Molport: MolPort-000-860-789
Acros Organics: 17358
ACT Chemical BB: ACT02958...84 total

ref: mol2, SDF, SMILES, flexibase
1.00,4.81,-6.96,0,3,0, 156.181, 3

Similar to: 1561951, 34618556, 34618558, 38218650, 38218651, ... 7 in total.
45074622
 
#21

AK Scientific: R699
AKOS: AKOS012624058
Anward: ANW-53988
Ark Pharm Building Blocks: AK-98135
BePharm Building Blocks: B76092...31 total

ref: mol2, SDF, SMILES, flexibase
1.56,5.9,-9.49,0,2,0, 168.236, 2

Similar to: 39274475, 39274474, 39259235, 39259236, ... 4 in total.
45074623
 
#22

AK Scientific: R699
AKOS: AKOS012624058
Anward: ANW-53988
Ark Pharm Building Blocks: AK-98135
BePharm Building Blocks: B76092...31 total

ref: mol2, SDF, SMILES, flexibase
1.56,5.89,-8.66,0,2,0, 168.236, 2

Similar to: 39274475, 39274474, 39259235, 39259236, ... 4 in total.
6569118
 
#23

ChemMol: 1030606, 97602505
eMolecules: 4329092
Molport: MolPort-001-770-300
Anward: ANW-40033
Apexmol Building Blocks: AM62783...69 total

ref: mol2, SDF, SMILES, flexibase
4.90,11.59,-5.03,2,4,0, 466.577, 6

Similar to: 32222198, 32222199, 32222200, 34435737, 36473847, ... 8 in total.
2539295
 
#24

ChemMol: 1030604, 97602536
eMolecules: 4329092
Molport: MolPort-001-770-300
Anward: ANW-40033
Apexmol Building Blocks: AM62782...88 total

ref: mol2, SDF, SMILES, flexibase
4.90,13.24,-6.68,2,4,0, 466.577, 6

Similar to: 6569118, 32222198, 32222199, 32222200, 34435737, ... 8 in total.
2386669
 
#25

Aldrich CPR: RNI00143|ALDRICH
Catsyn: SC11805
Sigma Aldrich (Building Blocks): RNI00143|ALDRICH
Tetrahedron Building Blocks: TS82977
Aldrich CPR (Depleted): RNI00138|ALDRICH...61 total

ref: mol2, SDF, SMILES, flexibase
8.57,18.51,-4.74,0,3,0, 481.728, 8
ref: mol2, SDF, SMILES, flexibase
8.57,16.73,-6.91,0,3,0, 481.728, 8
ref: mol2, SDF, SMILES, flexibase
8.57,17.45,-5.24,0,3,0, 481.728, 8
lo: mol2, SDF, SMILES, flexibase
8.57,17.83,-29.44,1,3,1, 482.736, 8
lo: mol2, SDF, SMILES, flexibase
8.57,17.77,-28.42,1,3,1, 482.736, 8

Similar to: 38264589, 38265071,
15230312
 
#26

eMolecules: 207298169
Molport: MolPort-019-781-955
AK Scientific: Y1396
Catsyn: SC11797
Mcule: MCULE-5401529330...71 total

ref: mol2, SDF, SMILES, flexibase
8.26,16.38,-3.35,0,2,0, 404.642, 7

Similar to: 33796427, 33796428, 39365154,
163277
 
#27

ChemMol: 83601017
eMolecules: 5817090
Molport: MolPort-002-904-430
AK Scientific: 9104AA
Ark Pharm Building Blocks: AK120864...21 total

ref: mol2, SDF, SMILES, flexibase
3.25,5.38,-9.69,0,4,0, 330.387, 2
mid: mol2, SDF, SMILES, flexibase
3.07,6.96,-27.6,2,4,1, 331.395, 1

Similar to: 163280, 163282, 1081225, 12958147, 12958151, ... 6 in total.
56891
 
#28

eMolecules: 771539, 505229
Molport: MolPort-002-916-143, MolPort-002-146-379
Acros Organics: 42752
AK Scientific: 5901AA
Anward: ANW-19388...59 total

ref: mol2, SDF, SMILES, flexibase
4.39,-3.29,-4.63,0,4,0, 294.439, 4

Similar to: 6425767, 34403116, 34485998, 35838128, 35838129, ... 9 in total.
56895
 
#29

ChemMol: 83601611
eMolecules: 482512
Molport: MolPort-002-904-432
AK Scientific: 3197AA
American Custom Chemicals Corp.: CCH0008481...68 total

ref: mol2, SDF, SMILES, flexibase
2.54,1.01,-9.04,0,5,0, 301.39, 4
mid: mol2, SDF, SMILES, flexibase
2.54,2.36,-34.03,1,5,1, 302.398, 4
lo: mol2, SDF, SMILES, flexibase
2.54,3.67,-79.91,2,5,2, 303.406, 4

Similar to: 386428, 386431, 12401704, 34450894, 34556274, ... 18 in total.
2387275
 
#30

ChemMol: 30114474, 83601615, 44014398
American Custom Chemicals Corp.: COR0001576
Angene Building Blocks: AGN-PC-0O4XQO
APIChem: AC-22427
Ark Pharm Building Blocks: AK-10750...70 total

ref: mol2, SDF, SMILES, flexibase
3.48,-6.56,-11.01,0,5,0, 369.424, 4

Similar to: 2387277, 34467340, 34650749, 38245953, 38274780, ... 6 in total.
2387277
 
#31

ChemMol: 83601614
AKOS: AKOS015895278
American Custom Chemicals Corp.: COR0001575
Ark Pharm Building Blocks: AK-10745
BePharm Building Blocks: B43012...54 total

ref: mol2, SDF, SMILES, flexibase
3.48,-6.6,-11.01,0,5,0, 369.424, 4

Similar to: 34467340, 34650749, 38245953, 38274780, 39048373, ... 6 in total.
39428
 
#32

eMolecules: 2349690
Molport: MolPort-002-145-821
AK Scientific: 5821AA
American Custom Chemicals Corp.: CHM0001456
Anward: ANW-19310...51 total

ref: mol2, SDF, SMILES, flexibase
4.17,-4.81,-7.33,0,4,0, 334.419, 4

Similar to: 39431, 12401159, 34567061, 34612012, 34612099, ... 9 in total.
39431
 
#33

ChemMol: 44023379
eMolecules: 2349690
Molport: MolPort-002-145-821
American Custom Chemicals Corp.: CHM0001456
Anward: ANW-21283...50 total

ref: mol2, SDF, SMILES, flexibase
4.17,-4.79,-7.32,0,4,0, 334.419, 4

Similar to: 12401159, 34567061, 34612012, 34612099, 34827759, ... 9 in total.
38880549
 
#34

AK Scientific: 4468AB, 4467AB, 4466AB
Ark Pharm Building Blocks: AK-54590
BePharm Building Blocks: B214228
Bide Pharmatech BB: BD214228
Catsyn: SC11771...13 total

ref: mol2, SDF, SMILES, flexibase
3.44,4.38,-11.44,0,5,0, 393.446, 2
lo: mol2, SDF, SMILES, flexibase
3.44,7.45,-87.97,2,5,2, 395.462, 2

Similar to: 43199392, 43199393,
34518776
 
#35

AK Scientific: 9693AA
Ark Pharm Building Blocks: AK-54582
BePharm Building Blocks: B214220
Catsyn: SC11769
Chembo Pharma: KB-225996...15 total

ref: mol2, SDF, SMILES, flexibase
3.44,4.39,-11.46,0,5,0, 393.446, 2
mid: mol2, SDF, SMILES, flexibase
3.44,5.96,-39.73,1,5,1, 394.454, 2
lo: mol2, SDF, SMILES, flexibase
3.44,7.45,-88.03,2,5,2, 395.462, 2

Similar to: 43199392, 43199393,
9065
 
#36

eMolecules: 490543
Molport: MolPort-001-758-634
AKOS: AKOS001032185
Alfa-Aesar: A17750
Angene Building Blocks: AGN-PC-0JL9YU...287 total

ref: mol2, SDF, SMILES, flexibase
2.19,6.98,-9.07,0,3,0, 233.274, 2

Similar to: 38281342,
120136
 
#37

ChemMol: 30111291, 1033216, 44009437
eMolecules: 491398
Molport: MolPort-001-758-632
Scientific Exchange (make on demand): F-218762
Acorn PharmaTech: ACN-S002665...151 total

ref: mol2, SDF, SMILES, flexibase
2.24,0.79,-7.32,0,2,0, 184.242, 1

Similar to: 32270058, 34000093, 34333937, 34576939, 34628458, ... 5 in total.
105227
 
#38

ChemMol: 30100604, 83603437, 30116851, 1202565, 44008650
Acros Organics: 20875, 11750
ACT Chemical BB: ACT09618
AK Scientific: 7411AA, 6961AB
AKOS: AKOS004901459...1336 total

ref: mol2, SDF, SMILES, flexibase
1.44,4.87,-7.26,0,2,0, 156.188, 1
2584040
 
#39

AK Scientific: 8849AA
Ark Pharm Building Blocks: AK-61124
BePharm Building Blocks: B43131
Bosche Scientific: D4657
Catsyn: SC11743...24 total

ref: mol2, SDF, SMILES, flexibase
1.00,4.46,-11.74,2,6,0, 324.384, 4

Similar to: 2584041, 38398843, 38398844,
2584041
 
#40

Catsyn: SC11740
Chembo Pharma: KB-44937
Element Store BB: b2star-172138-95-3
Sigma Aldrich (Building Blocks): 692751|ALDRICH, 677523|ALDRICH
Tetrahedron Building Blocks: TS77492...19 total

ref: mol2, SDF, SMILES, flexibase
1.00,4.45,-11.71,2,6,0, 324.384, 4

Similar to: 38398843, 38398844, 2584040,
2379592
 
#41

AK Scientific: 4136AA
Anward: ANW-17867
Ark Pharm Building Blocks: AK-55475
BePharm Building Blocks: B49310
Catsyn: SC11729...16 total

ref: mol2, SDF, SMILES, flexibase
8.89,-5.14,-13.64,2,6,0, 476.42, 9

Similar to: 16921937, 2379590,
2379590
 
#42

AK Scientific: 4135AA
American Custom Chemicals Corp.: HCH0009361
Anward: ANW-17866
Ark Pharm Building Blocks: AK-55432
BePharm Building Blocks: B47928...24 total

ref: mol2, SDF, SMILES, flexibase
8.89,-5.28,-9.46,2,6,0, 476.42, 9

Similar to: 2379592, 16921937,
2540592
 
#43

ChemMol: 44017099
AKOS: AKOS015833186
Anward: ANW-22621
Ark Pharm Building Blocks: AK-60414
Bide Pharmatech BB: BD53776...86 total

ref: mol2, SDF, SMILES, flexibase
6.02,-0.6,-4.08,0,2,0, 308.469, 2

Similar to: 35822512, 60232260,
2513722
 
#44

Acros Organics: 38243
AKOS: AKOS015832940
Alfa-Aesar: H27798
Anward: ANW-26431
Apollo Scientific: PC49102...39 total

ref: mol2, SDF, SMILES, flexibase
-2.00,3.96,-25.18,0,2,1, 153.249, 2

Similar to: 34457692, 39351347,
2513721
 
#45

ChemMol: 44022371
Molport: MolPort-002-884-138
AK Scientific: 7874AA
AKOS: AKOS005105887
Anward: ANW-25970...30 total

ref: mol2, SDF, SMILES, flexibase
-1.11,9.24,-22.81,0,2,1, 181.303, 2

Similar to: 34457692, 39351347,
2510892
 
#46

AK Scientific: 6882AA
Ark Pharm Building Blocks: AK-59281
BePharm Building Blocks: B53815
Catsyn: SC11705
Chembo Pharma: KB-216403...11 total

ref: mol2, SDF, SMILES, flexibase
0.85,13.1,-34.36,0,2,1, 290.173, 2
2584038
 
#47

ChemMol: 83601631, 44017100
Acros Organics: 35619
AKOS: AKOS015833176
Alfa-Aesar: H27535
Angene Building Blocks: AGN-PC-0O27Y0...50 total

ref: mol2, SDF, SMILES, flexibase
2.32,5.8,-22.78,0,2,1, 305.445, 2

Similar to: 33794167, 33794169, 39365328,
2584039
 
#48

Acros Organics: 37833
ACT Chemical BB: ACT09113
AK Scientific: 8260AD, Y1415
AKOS: AKOS015832956
Apeiron Synthesis: AS1001...53 total

ref: mol2, SDF, SMILES, flexibase
1.88,6.28,-24.48,0,2,1, 307.461, 2

Similar to: 35879995,
2529855
 
#49

ChemMol: 83601635
Molport: MolPort-019-904-403
Acros Organics: 38242, 37834
AK Scientific: Y5782
AKOS: AKOS015832942...51 total

ref: mol2, SDF, SMILES, flexibase
3.44,8.21,-23.39,0,2,1, 391.623, 6

Similar to: 34660928,
2584042
 
#50

ChemMol: 44017073, 2101178
Acros Organics: 37831
AK Scientific: W4827
AKOS: AKOS015909582
Alfa-Aesar: H27150...55 total

ref: mol2, SDF, SMILES, flexibase
3.88,7.57,-21.32,0,2,1, 389.607, 6
396158
 
#51

Catsyn: SC11547
Chembo Pharma: KB-10067
Sigma Aldrich (Building Blocks): 450332|ALDRICH
Tetrahedron Building Blocks: TS06642
ChemDB: 6687070...10 total

ref: mol2, SDF, SMILES, flexibase
3.21,4.1,-3.33,0,0,0, 142.078, 0
4352590
 
#52

AK Scientific: 7810AA
Ark Pharm Building Blocks: AK119068
Catsyn: SC11529
Chembo Pharma: KB-241759
Sigma Aldrich (Building Blocks): 724602|ALDRICH...9 total

ref: mol2, SDF, SMILES, flexibase
7.13,11.88,-10.05,0,2,0, 350.741, 0
43763934
 
#53

Ark Pharm Building Blocks: AK142201
Catsyn: SC11503
Chembo Pharma: KB-09824
Element Store BB: b2star-500103-26-4
Tractus: TRA0064572...11 total

ref: mol2, SDF, SMILES, flexibase
8.15,15.29,-7.97,0,3,0, 439.495, 5

Similar to: 35849686,
2529090
 
#54

AK Scientific: 5047AB
Ark Pharm Building Blocks: AK-43030, AK-42960, AK-43031
BePharm Building Blocks: B210286
Catsyn: SC11378
Chembo Pharma: KB-300208...10 total

ref: mol2, SDF, SMILES, flexibase
6.56,11.61,-7.7,0,3,0, 367.429, 1
43681909
 
#55

Ark Pharm Building Blocks: AK-43019, AK-43020, AK-42957
BePharm Building Blocks: B210283
Catsyn: SC11376
Chembo Pharma: KB-215741
Sigma Aldrich (Building Blocks): 665479|ALDRICH...11 total

ref: mol2, SDF, SMILES, flexibase
7.47,13.1,-10.31,0,3,0, 399.43, 1

Similar to: 35836953,
38279801
 
#56

AK Scientific: 9700AA
Ark Pharm Building Blocks: AK102089
BePharm Building Blocks: B233628
Catsyn: SC11373
Chembo Pharma: KB-289160...9 total

ref: mol2, SDF, SMILES, flexibase
6.41,10.71,-10.7,0,4,0, 401.402, 1
2581132
 
#57

ChemMol: 83601692, 83601691
AK Scientific: 7896AA, 9699AA
Ark Pharm Building Blocks: AK-43010, AK-42951, AK-43011
BePharm Building Blocks: B210277, B210337
Bide Pharmatech BB: BD210277...24 total

ref: mol2, SDF, SMILES, flexibase
6.56,11.15,-10.6,0,3,0, 359.365, 1

Similar to: 8444560,
82046496
 
#58

AK Scientific: 2005AB
Ark Pharm Building Blocks: AK-43009, AK-43008, AK-42955
BePharm Building Blocks: B210280
Catsyn: SC11366
Chembo Pharma: KB-300153...9 total

ref: mol2, SDF, SMILES, flexibase
7.31,12.45,-9.58,0,3,0, 387.419, 3
2529086
 
#59

ChemMol: 83601702
AK Scientific: 6661AB
Ark Pharm Building Blocks: AK119090
BroadPharm: BP-12190
Catsyn: SC11360...10 total

ref: mol2, SDF, SMILES, flexibase
7.96,15.02,-11.44,0,3,0, 435.463, 3
2529089
 
#60

ChemMol: 83601689
AK Scientific: 5831AB
Ark Pharm Building Blocks: AK-43025, AK-43024, AK-42962
BePharm Building Blocks: B210289
BroadPharm: BP-12206...14 total

ref: mol2, SDF, SMILES, flexibase
8.24,14.84,-10.55,1,3,0, 435.463, 3
2529084
 
#61

ChemMol: 83601688
AK Scientific: 9701AA
Aldrich CPR: CDS020527|ALDRICH
Ark Pharm Building Blocks: AK119074
BroadPharm: BP-12207...11 total

ref: mol2, SDF, SMILES, flexibase
7.31,1.35,-8.57,0,3,0, 387.419, 1
12359415
 
#62

Alfa-Aesar: H27420
Ark Pharm Building Blocks: AK141979
Catsyn: SC11340
Sigma Aldrich (Building Blocks): 667196|ALDRICH
Tractus: TRA0089416...9 total

ref: mol2, SDF, SMILES, flexibase
7.85,7.43,-5.09,0,1,0, 498.672, 6

Similar to: 43220912,
43220891
 
#63

Molport: MolPort-023-220-832
AK Scientific: X7077
Ark Pharm Building Blocks: AK110743, AK110571
BePharm Building Blocks: B212547
Catsyn: SC11299...27 total

ref: mol2, SDF, SMILES, flexibase
9.24,19.55,-4.31,0,2,0, 536.781, 9
mid: mol2, SDF, SMILES, flexibase
9.24,19.86,-24.67,0,2,1, 537.789, 9
45074621
 
#64

Catsyn: SC11204
Chembo Pharma: KB-223989
Sigma Aldrich (Building Blocks): 672122|ALDRICH
Tractus: TRA0085875
Ark Pharm BB (Depleted): AK122627...7 total

ref: mol2, SDF, SMILES, flexibase
6.52,16.39,-7.76,0,2,0, 382.532, 4
mid: mol2, SDF, SMILES, flexibase
6.52,16.66,-23.64,1,2,1, 383.54, 4
2553987
 
#65

ChemMol: 83601661
BroadPharm: BP-12240
Catsyn: SC11203
Chembo Pharma: KB-223991
Element Store BB: b2star-672937-60-9...10 total

ref: mol2, SDF, SMILES, flexibase
5.62,14.83,-6.06,0,1,0, 339.463, 4
mid: mol2, SDF, SMILES, flexibase
5.62,15.29,-31.95,0,1,1, 340.471, 4

Similar to: 43220926,
40450110
 
#66

ChemMol: 83601663
BroadPharm: BP-12238
Catsyn: SC11202
Chembo Pharma: KB-223990
Sigma Aldrich (Building Blocks): 672246|ALDRICH...9 total

ref: mol2, SDF, SMILES, flexibase
6.93,17.07,-7.33,0,1,0, 389.523, 4
mid: mol2, SDF, SMILES, flexibase
6.93,17.56,-34.46,0,1,1, 390.531, 4
2553986
 
#67

ChemMol: 83601627, 44025100
BePharm Building Blocks: B60130
BroadPharm: BP-12283
Catsyn: SC11199
Chembo Pharma: KB-224058...15 total

ref: mol2, SDF, SMILES, flexibase
4.18,4.53,-5.67,0,1,0, 287.387, 4
71769592
 
#68

Ark Pharm Building Blocks: AK119045
Catsyn: SC11193
Chembo Pharma: KB-251346
Sigma Aldrich (Building Blocks): 698814|ALDRICH
Alfa Chemistry (Depleted): ACM1053657070...5 total

ref: mol2, SDF, SMILES, flexibase
7.22,15,-2.36,0,0,0, 358.55, 5
mid: mol2, SDF, SMILES, flexibase
7.22,15.5,-30.32,0,0,1, 359.558, 5
40450109
 
#69

ChemMol: 83601664
BroadPharm: BP-12237
Catsyn: SC11187
Chembo Pharma: KB-223988
Element Store BB: b2star-672937-63-2...10 total

ref: mol2, SDF, SMILES, flexibase
5.84,14.45,-7.85,0,2,0, 369.489, 5
mid: mol2, SDF, SMILES, flexibase
5.84,14.87,-29.1,0,2,1, 370.497, 5
44069051
 
#70

AK Scientific: 2122AB
Ark Pharm Building Blocks: AK119079
Catsyn: SC11183
Chembo Pharma: KB-205529
Sigma Aldrich (Building Blocks): 697532|ALDRICH...8 total

ref: mol2, SDF, SMILES, flexibase
6.65,15.26,-4.96,0,1,0, 378.496, 5
mid: mol2, SDF, SMILES, flexibase
6.65,15.95,-32.34,0,1,1, 379.504, 5
25757743
 
#71

AK Scientific: 1876AB
Ark Pharm Building Blocks: AK119077
Catsyn: SC11181
Chembo Pharma: KB-205470
Sigma Aldrich (Building Blocks): 655406|ALDRICH...8 total

ref: mol2, SDF, SMILES, flexibase
4.97,12.08,-4.75,0,2,0, 346.451, 4
mid: mol2, SDF, SMILES, flexibase
4.97,12.28,-35.29,0,2,1, 347.459, 4
40434602
 
#72

AK Scientific: 1211AB
Anward: ANW-60267
Ark Pharm Building Blocks: AK101346
BePharm Building Blocks: B232885
Catsyn: SC11179...12 total

ref: mol2, SDF, SMILES, flexibase
5.41,12.87,-4.9,0,2,0, 360.478, 4
mid: mol2, SDF, SMILES, flexibase
5.41,12.88,-30.34,0,2,1, 361.486, 4

Similar to: 44675996,
71775077
 
#73

AK Scientific: 8956AA
Ark Pharm Building Blocks: AK119070
Catsyn: SC11178
Chembo Pharma: KB-251348
Sigma Aldrich (Building Blocks): 651885|ALDRICH...11 total

ref: mol2, SDF, SMILES, flexibase
5.64,12.56,-3.54,0,0,0, 288.415, 3
mid: mol2, SDF, SMILES, flexibase
5.64,12.96,-35.24,0,0,1, 289.423, 3
5140582
 
#74

AK Scientific: 6222AC, 5447AB
Ark Pharm Building Blocks: AK122620, AK119086
Catsyn: SC10581, SC11171
Chembo Pharma: KB-251101, KB-238947
Sigma Aldrich (Building Blocks): 692689|ALDRICH...16 total

ref: mol2, SDF, SMILES, flexibase
5.34,2.07,-3.88,0,1,0, 317.457, 4
2140947
 
#75

Acros Organics: 40708
AK Scientific: 9909AB
AKOS: AKOS004909022
Alfa-Aesar: H26992
Anward: ANW-75604...56 total

ref: mol2, SDF, SMILES, flexibase
5.24,11.73,-2.77,0,0,0, 274.388, 3
mid: mol2, SDF, SMILES, flexibase
5.24,12.22,-36.54,0,0,1, 275.396, 3
1606009
 
#76

ChemMol: 1030947
Acros Organics: 31010
AK Scientific: 0349AC
Alfa-Aesar: A17975
Ark Pharm Building Blocks: AK113351...172 total

ref: mol2, SDF, SMILES, flexibase
1.43,5.38,-2.68,0,0,0, 138.15, 1
lo: mol2, SDF, SMILES, flexibase
1.43,5.74,-37.81,0,0,1, 139.158, 1
157131
 
#77

ChemMol: 44021915
Acros Organics: 43356, 22464
AK Scientific: H572
AKOS: AKOS005145503
Alfa-Aesar: L09968...67 total

ref: mol2, SDF, SMILES, flexibase
0.37,2.79,-9.6,0,3,0, 128.175, 0

Similar to: 32219123, 39319740,
3593622
 
#78

ChemMol: 1201455
Acros Organics: 16424, 22216, 18013, 34845, 43455, 45053, 17663, 26829, 44640, 32078, 38863, 18150, 32697, 17508, 44836, 38775
ACT Chemical BB: ACT09264
AKOS: AKOS015833620
Alfa-Aesar: 44505...1201 total

ref: mol2, SDF, SMILES, flexibase
0.70,1.61,-2.11,0,1,0, 72.107, 0

Similar to: 34604141,
34050043
 
#79

BOC Sciences BB: 201611-85-0
Capot Chemical: 12683
Catsyn: SC10816
Chembo Pharma: KB-23427
Sigma Aldrich (Building Blocks): 722987|ALDRICH...9 total

ref: mol2, SDF, SMILES, flexibase
3.45,7.81,-12.44,0,1,0, 221.35, 3
1665400
 
#80

Catsyn: SC10809
Element Store BB: b2star-26504-29-0
NCI Plated 2007: 33081
Sigma Aldrich (Building Blocks): 746304|ALDRICH
Tractus: TRA0046294...10 total

ref: mol2, SDF, SMILES, flexibase
4.96,-0.82,-4.98,0,0,0, 290.478, 6

Similar to: 36457040, 39283349,
34632982
 
#81

Catsyn: SC10804
Chembo Pharma: KB-23413
Sigma Aldrich (Building Blocks): 723002|ALDRICH
AKOS BB (make-on-demand): AKOS015891279
PubChem: 11543110...6 total

ref: mol2, SDF, SMILES, flexibase
2.76,7.8,-10.42,0,2,0, 222.338, 4
2529083
 
#82

ChemMol: 30108415, 44011622, 1202894
Acros Organics: 38714
AK Scientific: X7076
AKOS: AKOS015840823
Aldrich CPR: RNI00039|ALDRICH...69 total

ref: mol2, SDF, SMILES, flexibase
9.23,20.22,-2.44,0,0,0, 476.729, 7
mid: mol2, SDF, SMILES, flexibase
9.23,20.06,-26.44,0,0,1, 477.737, 7
895354
 
#83

CCP W191G binders: MFCD00011732
ChemMol: 1201371, 44007070, 97806686, 44014864, 1201317, 30109463, 44032176
L99A non-binders: PYRIDINE
Acros Organics: 44790, 42713, 16657, 33942, 41854, 39680, 18007, 44213, 30248, 21456, 36442, 38656, 13287, 17701, 18367, 22228, 35148, 13178, 41853, 29086
AK Scientific: S081...2841 total

ref: mol2, SDF, SMILES, flexibase
0.70,2.74,-3.95,0,1,0, 79.102, 0
lo: mol2, SDF, SMILES, flexibase
0.70,3.2,-29.69,1,1,1, 80.11, 0
1529401
 
#84

ChemMol: 30106284
TCM Database @ Taiwan: tcm03_002284
AKOS: AKOS015843725
Alfa-Aesar: 10484, L03493, 10482
Anward: ANW-28164...146 total

ref: mol2, SDF, SMILES, flexibase
1.59,4.22,-1.69,0,0,0, 90.191, 2
899417
 
#85

ChemMol: 44024952, 1200353, 30106299, 98000304, 83602330, 30106286
eMolecules: 480133
L99A non-binders: 3-FLUOROBENZONITRILE
Molport: MolPort-002-501-394, MolPort-000-872-079
Acorn PharmaTech: ACN-S002225...359 total

ref: mol2, SDF, SMILES, flexibase
1.69,4.88,-5.05,0,1,0, 103.124, 0
1690028
 
#86

ChemMol: 30106311, 83601699, 83601676, 83600278, 97806772, 30110526, 44005265, 44027066, 30106319, 83602426, 44022968, 30106297, 83601693, 83601674, 97801006, 44028903, 30106310, 83601726, 30106287, 83601685, 97806700
Molport: MolPort-023-220-129, MolPort-015-143-625, MolPort-019-877-826
Acros Organics: 36361, 29712, 11141, 37565, 22397, 36396, 21130
AK Scientific: X4908, 5996AA, 4303AA, X4617, 4331AB, 3897AA, K782, 4304AA
Aldrich CPR: CDS005050|ALDRICH...927 total

ref: mol2, SDF, SMILES, flexibase
3.24,5.82,-0.77,0,0,0, 108.184, 0
49957373
 
#87

ChemMol: 44027066, 30106310, 30106287, 83601699, 83601676, 97801006, 44005265, 44022968, 30106311, 30110526, 83602426, 83601693, 83601674, 97806700, 44028903, 30106319, 30106297, 83601726, 83601685, 83600278, 97806772
Molport: MolPort-015-143-625, MolPort-019-877-826
Acros Organics: 36396, 21130, 36361, 29712, 11141, 37565, 22397
AK Scientific: X4908, 4304AA, X4617, 5996AA, 4303AA, 4331AB, K782, 3897AA
Aldrich CPR: CDS005050|ALDRICH...856 total

ref: mol2, SDF, SMILES, flexibase
3.24,5.69,-0.59,0,0,0, 108.184, 0
35904496
 
#88

AK Scientific: 3712AC
Ark Pharm Building Blocks: AK122617
Catsyn: SC10660
SureChEMBL: SCHEMBL14786492
ref: mol2, SDF, SMILES, flexibase
3.18,10.53,-4.22,0,1,0, 275.376, 4
lo: mol2, SDF, SMILES, flexibase
3.18,11.06,-29.95,0,1,1, 276.384, 4
11535683
 
#89

ChemMol: 1201834, 44005602, 44030481, 83603072, 30106909
eMolecules: 593459
Molport: MolPort-001-763-924
Acros Organics: 13090
ACT Chemical BB: ACT03462...197 total

ref: mol2, SDF, SMILES, flexibase
2.59,0.93,-6.07,0,1,0, 155.2, 1
lo: mol2, SDF, SMILES, flexibase
2.59,1.07,-29.66,1,1,1, 156.208, 1

Similar to: 31997349, 34569743,
12359448
 
#90

ChemMol: 44028824, 44034999
Acorn PharmaTech: ACN-S001331
AK Scientific: W8468
AKOS: AKOS015840829
Anward: ANW-46517...31 total

ref: mol2, SDF, SMILES, flexibase
8.39,3.5,-5.99,0,2,0, 466.646, 8
2553985
 
#91

ChemMol: 44011618, 30111397, 83601640
Acorn PharmaTech: ACN-S001330
Acros Organics: 44186
AK Scientific: X4163
AKOS: AKOS015840832...61 total

ref: mol2, SDF, SMILES, flexibase
7.00,3.03,-6.15,0,2,0, 410.538, 6

Similar to: 34874871,
349024
 
#92

Catsyn: SC10567
Labotest: LT00076673
Molport BB: MolPort-003-813-674
Sigma Aldrich (Building Blocks): 713910|ALDRICH, 713929|ALDRICH
TimTec: ST50983795...15 total

ref: mol2, SDF, SMILES, flexibase
1.75,1.57,-9.41,0,3,0, 198.225, 1

Similar to: 34552836,
12359362
 
#93

AK Scientific: 5071AC
Alfa-Aesar: H27150
Ark Pharm Building Blocks: AK110575
BePharm Building Blocks: B223657
Bide Pharmatech BB: BD223657...33 total

ref: mol2, SDF, SMILES, flexibase
7.42,8.08,-2.16,0,2,0, 390.615, 6
71771894
 
#94

Capot Chemical: 21604
Catsyn: SC10551
Sigma Aldrich (Building Blocks): 44696|ALDRICH
Tetrahedron Building Blocks: TS23528
PubChem: 11169403...5 total

ref: mol2, SDF, SMILES, flexibase
1.40,9.51,-0.71,0,0,0, 222.312, 2
71771896
 
#95

Capot Chemical: 21604
Catsyn: SC10551
Sigma Aldrich (Building Blocks): 44696|ALDRICH
Tetrahedron Building Blocks: TS23528
PubChem: 11169403...5 total

ref: mol2, SDF, SMILES, flexibase
1.40,9.51,-0.82,0,0,0, 222.312, 2
71771900
 
#96

Capot Chemical: 21604
Catsyn: SC10551
Sigma Aldrich (Building Blocks): 44696|ALDRICH
Tetrahedron Building Blocks: TS23528
PubChem: 11169403...5 total

ref: mol2, SDF, SMILES, flexibase
1.40,9.55,-0.83,0,0,0, 222.312, 2
71771902
 
#97

Capot Chemical: 21604
Catsyn: SC10551
Sigma Aldrich (Building Blocks): 44696|ALDRICH
Tetrahedron Building Blocks: TS23528
PubChem: 11169403...5 total

ref: mol2, SDF, SMILES, flexibase
1.40,9.56,-0.84,0,0,0, 222.312, 2
164363
 
#98

ChemMol: 44005375, 97800570, 44007456, 30106494
eMolecules: 4928116, 480572, 36990527
Molport: MolPort-000-884-337, MolPort-002-904-676
Scientific Exchange (make on demand): F-303363
Acros Organics: 13013...959 total

ref: mol2, SDF, SMILES, flexibase
1.90,5.39,-13.16,0,2,0, 180.21, 0
lo: mol2, SDF, SMILES, flexibase
1.90,5.91,-29.73,1,2,1, 181.218, 0

Similar to: 34547557,
33937659
 
#99

AK Scientific: 3386AC
Anward: ANW-33642, ANW-38243
Catsyn: SC10501
Element Store BB: b2star-858971-43-4
Molport BB: MolPort-008-155-722...19 total

ref: mol2, SDF, SMILES, flexibase
1.24,5.84,-18.26,0,2,0, 278.398, 5

Similar to: 392690,
33937660
 
#100

AK Scientific: 3386AC
Anward: ANW-33642, ANW-38243
Catsyn: SC10501
Element Store BB: b2star-858971-43-4
Molport BB: MolPort-008-155-722...19 total

ref: mol2, SDF, SMILES, flexibase
1.24,5.84,-32.14,0,2,0, 278.398, 5

Similar to: 392690,

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 = 741 ) limit 0,100

Smiles were