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

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69482570
 
#1

UEFS Natural Products: uefs-503
ref: mol2, SDF, SMILES, flexibase
3.87,0.13,-22.7,7,9,0, 526.497, 5
hi: mol2, SDF, SMILES, flexibase
3.87,2.81,-167.03,4,9,-3, 523.473, 5
hi: mol2, SDF, SMILES, flexibase
3.87,1.8,-102.28,5,9,-2, 524.481, 5
69482565
 
#2

UEFS Natural Products: uefs-502
ref: mol2, SDF, SMILES, flexibase
0.42,9.41,-26.96,0,5,0, 344.407, 3
69482561
 
#3

UEFS Natural Products: uefs-500
ref: mol2, SDF, SMILES, flexibase
10.02,21.38,-10.74,2,4,0, 556.872, 26
69482557
 
#4

UEFS Natural Products: uefs-498
ref: mol2, SDF, SMILES, flexibase
1.52,10.18,-19.17,0,4,0, 330.424, 3
69482556
 
#5

UEFS Natural Products: uefs-496
ref: mol2, SDF, SMILES, flexibase
5.67,9.6,-0.01,0,0,0, 234.427, 1
69482553
 
#6

UEFS Natural Products: uefs-495
ref: mol2, SDF, SMILES, flexibase
6.60,14.95,-53.78,0,3,-1, 453.687, 1
lo: mol2, SDF, SMILES, flexibase
6.60,12.86,-7.1,1,3,0, 454.695, 1
69482551
 
#7

UEFS Natural Products: uefs-494
ref: mol2, SDF, SMILES, flexibase
5.26,11.03,-0.19,0,0,0, 232.411, 0
69482548
 
#8

UEFS Natural Products: uefs-494
ref: mol2, SDF, SMILES, flexibase
5.26,10.64,-0.23,0,0,0, 232.411, 0
69482545
 
#9

UEFS Natural Products: uefs-493
ref: mol2, SDF, SMILES, flexibase
7.73,11.95,-55.66,1,3,-1, 457.719, 2
lo: mol2, SDF, SMILES, flexibase
7.73,10.09,-6.61,2,3,0, 458.727, 2
69482541
 
#10

UEFS Natural Products: uefs-492
ref: mol2, SDF, SMILES, flexibase
3.37,2.37,-16.19,3,6,0, 356.374, 7
69482539
 
#11

UEFS Natural Products: uefs-488
ref: mol2, SDF, SMILES, flexibase
4.93,6.07,-9.94,2,6,0, 368.385, 4
69482536
 
#12

UEFS Natural Products: uefs-487
ref: mol2, SDF, SMILES, flexibase
4.21,9,-7.57,1,7,0, 490.6, 6
mid: mol2, SDF, SMILES, flexibase
4.21,11.23,-45.27,2,7,1, 491.608, 6
69482533
 
#13

UEFS Natural Products: uefs-486
ref: mol2, SDF, SMILES, flexibase
4.45,9.7,-8.23,0,2,0, 286.415, 3
69482529
 
#14

UEFS Natural Products: uefs-485
ref: mol2, SDF, SMILES, flexibase
2.46,9.14,-22.2,2,9,0, 613.773, 2
69482526
 
#15

UEFS Natural Products: uefs-484
ref: mol2, SDF, SMILES, flexibase
1.21,7.03,-18.08,2,9,0, 544.641, 2

Similar to: 8234216,
69482524
 
#16

UEFS Natural Products: uefs-480
ref: mol2, SDF, SMILES, flexibase
5.96,13.53,-7.7,0,2,0, 398.631, 4
69482521
 
#17

UEFS Natural Products: uefs-478
ref: mol2, SDF, SMILES, flexibase
2.62,7.35,-16.07,1,7,0, 466.53, 5
69482518
 
#18

UEFS Natural Products: uefs-477
PubChem: 577397, 14757966, 10774635
ref: mol2, SDF, SMILES, flexibase
4.96,9.26,-0.24,0,0,0, 204.357, 0
69482515
 
#19

UEFS Natural Products: uefs-476
ref: mol2, SDF, SMILES, flexibase
4.84,11.64,-16.92,1,3,0, 420.593, 0
hi: mol2, SDF, SMILES, flexibase
4.84,12.46,-64.99,0,3,-1, 419.585, 0

Similar to: 8652687, 40875642, 40875645,
69482512
 
#20

UEFS Natural Products: uefs-475
ref: mol2, SDF, SMILES, flexibase
4.17,8.18,-10.68,2,4,0, 444.656, 1
69482510
 
#21

UEFS Natural Products: uefs-474
ref: mol2, SDF, SMILES, flexibase
5.24,9.95,-11.83,1,4,0, 392.495, 2
69482509
 
#22

UEFS Natural Products: uefs-471
ref: mol2, SDF, SMILES, flexibase
2.27,9.53,-52.28,1,7,1, 356.354, 4
hi: mol2, SDF, SMILES, flexibase
2.27,7.06,-15.38,0,7,0, 355.346, 4
69482507
 
#23

UEFS Natural Products: uefs-468
ref: mol2, SDF, SMILES, flexibase
4.57,10.52,-11.92,0,5,0, 358.434, 3
69482502
 
#24

UEFS Natural Products: uefs-468
ref: mol2, SDF, SMILES, flexibase
4.57,10.8,-10.16,0,5,0, 358.434, 3
69482501
 
#25

UEFS Natural Products: uefs-467
ref: mol2, SDF, SMILES, flexibase
4.03,8.21,-8.95,1,5,0, 360.45, 3
69482497
 
#26

UEFS Natural Products: uefs-466
ref: mol2, SDF, SMILES, flexibase
8.62,13.55,-1.54,1,1,0, 414.718, 6
69482494
 
#27

UEFS Natural Products: uefs-461
ref: mol2, SDF, SMILES, flexibase
7.24,11.33,-4.7,1,2,0, 440.712, 1
69482489
 
#28

TCM Database @ Taiwan: 47888
UEFS Natural Products: uefs-460
ChemDB: 4906748
PubChem: 494041
ref: mol2, SDF, SMILES, flexibase
2.73,10.53,-47.77,1,6,1, 397.495, 3
69482486
 
#29

UEFS Natural Products: uefs-457
ref: mol2, SDF, SMILES, flexibase
9.30,17.52,-1.62,0,1,0, 516.854, 2
12153229
 
#30

UEFS Natural Products: uefs-449
PubChem: 11252995
ref: mol2, SDF, SMILES, flexibase
4.14,7.14,-2.79,0,1,0, 220.356, 0

Similar to: 12153230, 15153952, 15153954, 43380350, 43505168, ... 12 in total.
69482479
 
#31

UEFS Natural Products: uefs-448
ref: mol2, SDF, SMILES, flexibase
1.48,0.95,-12.91,3,8,0, 362.334, 4
hi: mol2, SDF, SMILES, flexibase
1.48,2.01,-56.72,2,8,-1, 361.326, 4
69482475
 
#32

UEFS Natural Products: uefs-447
ref: mol2, SDF, SMILES, flexibase
2.09,0.84,-11.61,3,8,0, 362.334, 4
hi: mol2, SDF, SMILES, flexibase
2.09,1.83,-53.26,2,8,-1, 361.326, 4
69482473
 
#33

UEFS Natural Products: uefs-446
ChEMBL19: CHEMBL1975567
PubChem: 404386
ref: mol2, SDF, SMILES, flexibase
0.85,2.09,-10.34,2,5,0, 302.326, 2
hi: mol2, SDF, SMILES, flexibase
0.85,2.64,-61,1,5,-1, 301.318, 2
69482470
 
#34

UEFS Natural Products: uefs-443
ref: mol2, SDF, SMILES, flexibase
3.01,9.24,-8.84,0,3,0, 296.366, 1
69482467
 
#35

UEFS Natural Products: uefs-441
ref: mol2, SDF, SMILES, flexibase
1.10,6.06,-13.25,1,6,0, 350.411, 0
69482464
 
#36

UEFS Natural Products: uefs-438
ref: mol2, SDF, SMILES, flexibase
4.51,10.33,-41,2,5,1, 366.437, 3
hi: mol2, SDF, SMILES, flexibase
4.51,10.96,-25.36,1,5,0, 365.429, 3
69482460
 
#37

UEFS Natural Products: uefs-437
ref: mol2, SDF, SMILES, flexibase
4.52,8.48,-6.26,0,1,0, 232.367, 1
69482456
 
#38

UEFS Natural Products: uefs-436
ref: mol2, SDF, SMILES, flexibase
8.14,14.59,-3.7,0,1,0, 424.713, 1
69482454
 
#39

UEFS Natural Products: uefs-433
ref: mol2, SDF, SMILES, flexibase
2.65,6.8,-4.87,0,2,0, 180.247, 2
69482450
 
#40

UEFS Natural Products: uefs-431
ref: mol2, SDF, SMILES, flexibase
3.25,7.56,-5.98,1,3,0, 314.425, 1
mid: mol2, SDF, SMILES, flexibase
3.25,8.36,-46.46,0,3,-1, 313.417, 1
69482447
 
#41

UEFS Natural Products: uefs-426
ref: mol2, SDF, SMILES, flexibase
1.10,2.87,-48.13,3,8,-1, 395.428, 3
69482443
 
#42

UEFS Natural Products: uefs-425
ref: mol2, SDF, SMILES, flexibase
5.08,5.73,-12.74,4,8,0, 550.733, 9
34285984
 
#43

UEFS Natural Products: uefs-423
PubChem: 14380070
ref: mol2, SDF, SMILES, flexibase
5.70,8.87,-2.83,1,1,0, 290.491, 4
17105828
 
#44

UEFS Natural Products: uefs-420
ref: mol2, SDF, SMILES, flexibase
4.09,8.63,-7.15,1,2,0, 296.41, 0

Similar to: 17105829, 31759241, 31759244, 33753190, ... 6 in total.
69482435
 
#45

UEFS Natural Products: uefs-419
ref: mol2, SDF, SMILES, flexibase
4.15,9.16,-12.09,0,8,0, 426.421, 9

Similar to: 15263080,
69482433
 
#46

UEFS Natural Products: uefs-418
ref: mol2, SDF, SMILES, flexibase
1.12,6.76,-44.44,0,2,-1, 165.212, 2
69482428
 
#47

UEFS Natural Products: uefs-416
ref: mol2, SDF, SMILES, flexibase
3.07,3.89,-1.45,0,1,0, 127.212, 3
69482427
 
#48

UEFS Natural Products: uefs-415
ref: mol2, SDF, SMILES, flexibase
4.13,8.95,-4.41,0,1,0, 220.356, 0
69482424
 
#49

UEFS Natural Products: uefs-414
ref: mol2, SDF, SMILES, flexibase
2.16,5.08,-46.32,4,8,1, 394.444, 8
hi: mol2, SDF, SMILES, flexibase
2.16,6.08,-72.08,3,8,0, 393.436, 8
69482421
 
#50

UEFS Natural Products: uefs-411
ref: mol2, SDF, SMILES, flexibase
1.75,3.17,-38.81,3,5,1, 264.301, 3
hi: mol2, SDF, SMILES, flexibase
1.75,4.17,-65.09,2,5,0, 263.293, 3
hi: mol2, SDF, SMILES, flexibase
1.75,0.55,-9.66,2,5,0, 263.293, 3
69482418
 
#51

UEFS Natural Products: uefs-410
ref: mol2, SDF, SMILES, flexibase
1.51,5.07,-47.15,4,8,1, 408.471, 9
69482416
 
#52

eMolecules: 672997
UEFS Natural Products: uefs-408
PubChem: 638248
SureChEMBL: SCHEMBL15384546
ref: mol2, SDF, SMILES, flexibase
3.41,8.03,-9.4,1,5,0, 352.434, 2
69482411
 
#53

UEFS Natural Products: uefs-407
ref: mol2, SDF, SMILES, flexibase
0.24,1.39,-40.86,4,6,1, 314.402, 7
hi: mol2, SDF, SMILES, flexibase
0.24,0.01,-6.46,3,6,0, 313.394, 7
13397330
 
#54

UEFS Natural Products: uefs-405
PubChem: 10401784
SureChEMBL: SCHEMBL2989970
ref: mol2, SDF, SMILES, flexibase
1.14,3.76,-45.83,4,6,1, 288.327, 6
mid: mol2, SDF, SMILES, flexibase
1.14,3.29,-18.2,3,6,0, 287.319, 6

Similar to: 38482405, 38778656,
69482405
 
#55

UEFS Natural Products: uefs-404
ref: mol2, SDF, SMILES, flexibase
6.48,11.26,-5.17,1,2,0, 426.685, 0
69482402
 
#56

UEFS Natural Products: uefs-403
ref: mol2, SDF, SMILES, flexibase
6.90,11.51,-5.05,1,2,0, 428.701, 1
69482399
 
#57

UEFS Natural Products: uefs-402
ref: mol2, SDF, SMILES, flexibase
5.39,8.97,-4.31,1,2,0, 316.485, 4
69482392
 
#58

UEFS Natural Products: uefs-401
ref: mol2, SDF, SMILES, flexibase
3.36,6.95,-7.15,1,2,0, 302.458, 1
69482387
 
#59

UEFS Natural Products: uefs-400
PubChem: 10742554
ref: mol2, SDF, SMILES, flexibase
7.17,9.99,-3.72,2,3,0, 458.727, 6
69482385
 
#60

UEFS Natural Products: uefs-398
ref: mol2, SDF, SMILES, flexibase
4.70,7.7,-12.09,1,6,0, 380.396, 1
69482380
 
#61

UEFS Natural Products: uefs-397
PubChem: 59381554
ref: mol2, SDF, SMILES, flexibase
1.32,-5.2,-18.02,6,8,0, 334.28, 3
hi: mol2, SDF, SMILES, flexibase
1.32,-3.21,-117.57,4,8,-2, 332.264, 3
hi: mol2, SDF, SMILES, flexibase
1.32,-4.23,-61.11,5,8,-1, 333.272, 3
69482378
 
#62

UEFS Natural Products: uefs-396
ref: mol2, SDF, SMILES, flexibase
5.35,10.05,-0.34,0,0,0, 220.4, 1
15263080
 
#63

UEFS Natural Products: uefs-395
ChemDB: 4955390
PubChem: 408584
ref: mol2, SDF, SMILES, flexibase
4.39,8.67,-14.19,0,8,0, 410.378, 7

Similar to: 17146827, 31912311, 36465095, 69482435, ... 5 in total.
69482373
 
#64

UEFS Natural Products: uefs-393
ref: mol2, SDF, SMILES, flexibase
-4.12,-8.96,-62.01,5,11,-1, 390.412, 9
34400854
 
#65

UEFS Natural Products: uefs-392
PubChem: 10708611
ref: mol2, SDF, SMILES, flexibase
1.60,-1.6,-11,3,5,0, 290.315, 0
69482369
 
#66

UEFS Natural Products: uefs-390
ref: mol2, SDF, SMILES, flexibase
-1.93,-3.13,-58.77,4,9,-1, 349.271, 2
hi: mol2, SDF, SMILES, flexibase
-1.93,-2.16,-130.08,3,9,-2, 348.263, 2
hi: mol2, SDF, SMILES, flexibase
-1.93,-2.22,-112.8,3,9,-2, 348.263, 2
lo: mol2, SDF, SMILES, flexibase
-1.93,-3.99,-14.55,5,9,0, 350.279, 2
69482364
 
#67

UEFS Natural Products: uefs-386
ref: mol2, SDF, SMILES, flexibase
8.82,15.41,0.51,0,0,0, 424.757, 0
69482361
 
#68

UEFS Natural Products: uefs-382
ref: mol2, SDF, SMILES, flexibase
9.93,22.46,-7.78,1,4,0, 544.861, 28
69482358
 
#69

UEFS Natural Products: uefs-380
ref: mol2, SDF, SMILES, flexibase
4.50,8.06,-6.04,0,3,0, 314.425, 1
38537745
 
#70

UEFS Natural Products: uefs-377
PubChem: 10891860, 10334857
ref: mol2, SDF, SMILES, flexibase
4.19,9.11,-6.57,0,3,0, 298.382, 1

Similar to: 14491351, 14491353, 14491355, 14491357, 15205125, ... 9 in total.
69482354
 
#71

UEFS Natural Products: uefs-374
ref: mol2, SDF, SMILES, flexibase
2.87,5.15,-10.06,2,5,0, 362.466, 1
69482353
 
#72

UEFS Natural Products: uefs-372
ref: mol2, SDF, SMILES, flexibase
8.15,13.83,-1.56,1,1,0, 426.729, 5
69482352
 
#73

UEFS Natural Products: uefs-371
ref: mol2, SDF, SMILES, flexibase
4.94,9.63,-5.94,0,2,0, 286.415, 1

Similar to: 36159729, 36162704, 36162709, 36171530, 36171534, ... 6 in total.
69482349
 
#74

UEFS Natural Products: uefs-370
ref: mol2, SDF, SMILES, flexibase
8.12,9.99,-3.5,2,2,0, 432.733, 6
69482346
 
#75

UEFS Natural Products: uefs-369
ref: mol2, SDF, SMILES, flexibase
5.54,10.54,-0.09,0,0,0, 232.411, 0
69482343
 
#76

UEFS Natural Products: uefs-366
ref: mol2, SDF, SMILES, flexibase
4.82,8.69,-0.5,0,0,0, 190.33, 3
69482340
 
#77

UEFS Natural Products: uefs-365
ref: mol2, SDF, SMILES, flexibase
5.61,7.55,-3.98,2,2,0, 314.469, 1
69482338
 
#78

UEFS Natural Products: uefs-361
ref: mol2, SDF, SMILES, flexibase
2.50,1.89,-14.86,3,7,0, 330.292, 3
hi: mol2, SDF, SMILES, flexibase
2.50,2.95,-63.62,2,7,-1, 329.284, 3
69482333
 
#79

UEFS Natural Products: uefs-358
ref: mol2, SDF, SMILES, flexibase
2.40,5.2,-10.75,2,5,0, 327.38, 4
69482330
 
#80

UEFS Natural Products: uefs-353
ref: mol2, SDF, SMILES, flexibase
8.57,13.31,-1.36,1,1,0, 428.745, 5
6037435
 
#81

UEFS Natural Products: uefs-352
PubChem: 178931
ref: mol2, SDF, SMILES, flexibase
2.91,5.53,-7.73,1,2,0, 236.355, 1
69482325
 
#82

UEFS Natural Products: uefs-350
ref: mol2, SDF, SMILES, flexibase
2.98,8.12,-52.61,2,6,1, 372.441, 4
mid: mol2, SDF, SMILES, flexibase
2.98,5.78,-12.08,1,6,0, 371.433, 4
69482322
 
#83

UEFS Natural Products: uefs-349
ref: mol2, SDF, SMILES, flexibase
5.35,7.98,-10.52,2,5,0, 500.72, 4
42922524
 
#84

UEFS Natural Products: uefs-348
ChEMBL12: CHEMBL559278, CHEMBL401583
ChEMBL19: CHEMBL401583
PubChem: 56660381, 44448135
ref: mol2, SDF, SMILES, flexibase
3.45,7.82,-4.65,0,2,0, 242.318, 2

Similar to: 36466736, 42922521,
69482316
 
#85

UEFS Natural Products: uefs-343
ref: mol2, SDF, SMILES, flexibase
2.43,6.66,-9.23,0,4,0, 330.424, 0
69482313
 
#86

UEFS Natural Products: uefs-342
ref: mol2, SDF, SMILES, flexibase
0.25,-0.05,-14.59,5,8,0, 345.307, 4
hi: mol2, SDF, SMILES, flexibase
0.25,0.94,-60.11,4,8,-1, 344.299, 4
lo: mol2, SDF, SMILES, flexibase
0.25,0.34,-60.13,6,8,1, 346.315, 4
34630695
 
#87

TCM Database @ Taiwan: tcm03_001811
UEFS Natural Products: uefs-336
Collaborative Drug Discovery: 344982
PubChem: 11539206
SureChEMBL: SCHEMBL1881616...5 total

ref: mol2, SDF, SMILES, flexibase
8.19,14.14,-1.12,1,1,0, 428.745, 5

Similar to: 43562084, 6486993, 14949230, 14949233, 14949236, ... 9 in total.
69482307
 
#88

UEFS Natural Products: uefs-335
ref: mol2, SDF, SMILES, flexibase
3.30,5.24,-6.87,2,3,0, 318.457, 2
14448648
 
#89

UEFS Natural Products: uefs-334
ref: mol2, SDF, SMILES, flexibase
3.54,8.62,-9.52,0,3,0, 288.387, 0
69482302
 
#90

UEFS Natural Products: uefs-333
ref: mol2, SDF, SMILES, flexibase
3.50,5.2,-10.64,2,4,0, 346.467, 2
hi: mol2, SDF, SMILES, flexibase
3.50,5.71,-57.76,1,4,-1, 345.459, 2
69482300
 
#91

UEFS Natural Products: uefs-332
ref: mol2, SDF, SMILES, flexibase
2.92,3.47,-8.71,2,4,0, 332.44, 1
1635007
 
#92

UEFS Natural Products: uefs-331
ref: mol2, SDF, SMILES, flexibase
3.57,6.7,-5.92,1,3,0, 316.441, 0

Similar to: 11612858, 11612860, 11612862, 11612864, ... 4 in total.
69482295
 
#93

UEFS Natural Products: uefs-329
ref: mol2, SDF, SMILES, flexibase
6.64,13.51,-5.97,1,2,0, 460.768, 7
69482292
 
#94

UEFS Natural Products: uefs-325
ref: mol2, SDF, SMILES, flexibase
8.30,12.9,-1.42,1,1,0, 400.691, 5
69482290
 
#95

UEFS Natural Products: uefs-323
ref: mol2, SDF, SMILES, flexibase
-2.60,-5.62,-60.49,4,10,-1, 374.413, 8

Similar to: 34943210, 34943212, 34943214, 34943216, ... 4 in total.
69482286
 
#96

UEFS Natural Products: uefs-320
ref: mol2, SDF, SMILES, flexibase
2.79,5.16,-42.31,4,6,1, 370.425, 2
hi: mol2, SDF, SMILES, flexibase
2.79,5.79,-27.25,3,6,0, 369.417, 2
hi: mol2, SDF, SMILES, flexibase
2.79,6.15,-53.67,3,6,0, 369.417, 2
69482283
 
#97

UEFS Natural Products: uefs-317
ref: mol2, SDF, SMILES, flexibase
7.85,8.99,-3.11,2,2,0, 444.744, 2
69482280
 
#98

UEFS Natural Products: uefs-316
ref: mol2, SDF, SMILES, flexibase
5.71,9.1,-0.02,0,0,0, 206.373, 1
69482277
 
#99

UEFS Natural Products: uefs-313
ref: mol2, SDF, SMILES, flexibase
0.54,-0.19,-20.2,5,8,0, 343.291, 4
mid: mol2, SDF, SMILES, flexibase
0.54,0.2,-53.53,6,8,1, 344.299, 4
hi: mol2, SDF, SMILES, flexibase
0.54,0.58,-51.14,4,8,-1, 342.283, 4
hi: mol2, SDF, SMILES, flexibase
0.54,0.8,-66.58,4,8,-1, 342.283, 4
69482274
 
#100

UEFS Natural Products: uefs-312
ref: mol2, SDF, SMILES, flexibase
5.49,13.51,-40.51,1,3,1, 389.563, 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 = 493 ) limit 0,100

Smiles were