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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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89270082
 
#1

PKChem: PKC_30993
PubChem: 54347475
ref: mol2, SDF, SMILES, flexibase
2.40,5.69,-22.5,0,7,0, 215.552, 1
89270079
 
#2

PKChem: PKC_30992
ref: mol2, SDF, SMILES, flexibase
2.02,6.72,-5.85,0,6,0, 269.058, 2
89270077
 
#3

PKChem: PKC_30991
ref: mol2, SDF, SMILES, flexibase
2.18,6.96,-8,0,6,0, 269.058, 2
89270074
 
#4

PKChem: PKC_30990
ref: mol2, SDF, SMILES, flexibase
1.89,6.61,-5.96,0,6,0, 224.607, 2
89270072
 
#5

PKChem: PKC_30989
ref: mol2, SDF, SMILES, flexibase
2.08,6.61,-7.68,0,6,0, 224.607, 2
89270069
 
#6

PKChem: PKC_30988
ref: mol2, SDF, SMILES, flexibase
2.05,6.81,-8.11,0,6,0, 224.607, 2
89270068
 
#7

PKChem: PKC_30987
ref: mol2, SDF, SMILES, flexibase
2.15,5.36,-6.52,0,3,0, 193.637, 1
89270066
 
#8

PKChem: PKC_30986
ref: mol2, SDF, SMILES, flexibase
1.13,4.06,-9.08,0,3,0, 184.626, 1
89270064
 
#9

PKChem: PKC_30985
ref: mol2, SDF, SMILES, flexibase
1.68,4.66,-19.81,0,5,0, 210.624, 1
89270063
 
#10

PKChem: PKC_30984
ref: mol2, SDF, SMILES, flexibase
2.52,4.87,-6.85,0,4,0, 229.07, 1
41120824
 
#11

eMolecules: 46428870
Molport: MolPort-019-848-104
PKChem: PKC_30976
Princeton BioMolecular Research: OSSL_316944
ref: mol2, SDF, SMILES, flexibase
1.86,3.15,-53.42,0,7,-1, 372.407, 4
mid: mol2, SDF, SMILES, flexibase
1.67,4.82,-20.22,1,7,0, 373.415, 4
41120821
 
#12

eMolecules: 46428868
Molport: MolPort-019-848-103
PKChem: PKC_30975
Princeton BioMolecular Research: OSSL_316943
ref: mol2, SDF, SMILES, flexibase
2.75,4.84,-53.08,1,7,-1, 421.483, 4
mid: mol2, SDF, SMILES, flexibase
2.56,6.5,-19.05,2,7,0, 422.491, 4
41120818
 
#13

eMolecules: 46428866
Molport: MolPort-019-848-102
PKChem: PKC_30974
Princeton BioMolecular Research: OSSL_316942
ref: mol2, SDF, SMILES, flexibase
2.88,5.16,-53.21,0,7,-1, 425.515, 5
mid: mol2, SDF, SMILES, flexibase
2.70,6.85,-19.26,1,7,0, 426.523, 5
41120815
 
#14

eMolecules: 46428862
Molport: MolPort-019-848-101
PKChem: PKC_30972
Princeton BioMolecular Research: OSSL_316940
ref: mol2, SDF, SMILES, flexibase
2.30,1.95,-51.35,1,7,-1, 398.445, 4
mid: mol2, SDF, SMILES, flexibase
2.11,3.62,-20.25,2,7,0, 399.453, 4
hi: mol2, SDF, SMILES, flexibase
2.30,2.73,-100.52,0,7,-2, 397.437, 4

Similar to: 34701786,
41120812
 
#15

eMolecules: 46428860
Molport: MolPort-019-848-100
PKChem: PKC_30971
Princeton BioMolecular Research: OSSL_316939
ref: mol2, SDF, SMILES, flexibase
2.12,1.93,-50.62,1,8,-1, 428.471, 5
mid: mol2, SDF, SMILES, flexibase
1.93,3.62,-21.16,2,8,0, 429.479, 5
hi: mol2, SDF, SMILES, flexibase
2.12,2.86,-103.84,0,8,-2, 427.463, 5

Similar to: 33688286, 34701786,
41120800
 
#16

eMolecules: 46428852
Molport: MolPort-019-848-096
PKChem: PKC_30967
Princeton BioMolecular Research: OSSL_316935
ref: mol2, SDF, SMILES, flexibase
4.68,10.28,-53.55,0,8,-1, 487.561, 10
mid: mol2, SDF, SMILES, flexibase
4.49,11.95,-16.11,1,8,0, 488.569, 10
41120797
 
#17

eMolecules: 46428850
Molport: MolPort-019-848-095
PKChem: PKC_30966
Princeton BioMolecular Research: OSSL_316934
ref: mol2, SDF, SMILES, flexibase
4.31,7.52,-48.76,1,6,-1, 387.444, 5
mid: mol2, SDF, SMILES, flexibase
4.13,9.18,-12.36,2,6,0, 388.452, 5
41120793
 
#18

eMolecules: 46428846
Molport: MolPort-019-848-093
PKChem: PKC_30962
Princeton BioMolecular Research: OSSL_316930
ref: mol2, SDF, SMILES, flexibase
6.54,12.52,-53.48,0,7,-1, 470.53, 9
mid: mol2, SDF, SMILES, flexibase
6.35,14.18,-17.65,1,7,0, 471.538, 9
41120790
 
#19

eMolecules: 46428844
Molport: MolPort-019-848-092
PKChem: PKC_30961
Princeton BioMolecular Research: OSSL_316929
ref: mol2, SDF, SMILES, flexibase
5.10,10,-53.98,0,7,-1, 428.449, 6
mid: mol2, SDF, SMILES, flexibase
4.92,11.68,-18.23,1,7,0, 429.457, 6
41120787
 
#20

eMolecules: 46428842
Molport: MolPort-019-848-091
PKChem: PKC_30960
Princeton BioMolecular Research: OSSL_316928
PubChem: 52103911...5 total

ref: mol2, SDF, SMILES, flexibase
5.98,8.93,-18.88,1,5,0, 419.893, 4
mid: mol2, SDF, SMILES, flexibase
5.80,12.13,-14.66,1,5,0, 419.893, 4

Similar to: 33761886, 40147197,
41120784
 
#21

eMolecules: 46428840
Molport: MolPort-019-848-090
PKChem: PKC_30959
Princeton BioMolecular Research: OSSL_316927
ref: mol2, SDF, SMILES, flexibase
5.59,9.22,-52.05,0,6,-1, 434.884, 5
mid: mol2, SDF, SMILES, flexibase
5.41,10.89,-16,1,6,0, 435.892, 5

Similar to: 33761886,
41120781
 
#22

eMolecules: 46428838
Molport: MolPort-019-848-089
PKChem: PKC_30958
Princeton BioMolecular Research: OSSL_316926
ref: mol2, SDF, SMILES, flexibase
5.48,10.92,-53.85,0,7,-1, 442.476, 7
mid: mol2, SDF, SMILES, flexibase
5.29,12.6,-17.97,1,7,0, 443.484, 7
41120778
 
#23

eMolecules: 31494697
Molport: MolPort-019-848-088
PKChem: PKC_30957
Princeton BioMolecular Research: OSSL_316925
ref: mol2, SDF, SMILES, flexibase
5.49,9.81,-55.68,0,8,-1, 449.855, 5
mid: mol2, SDF, SMILES, flexibase
5.31,11.99,-19.39,1,8,0, 450.863, 5
41120775
 
#24

eMolecules: 31494695
Molport: MolPort-019-848-087
PKChem: PKC_30956
Princeton BioMolecular Research: OSSL_316924
ref: mol2, SDF, SMILES, flexibase
5.63,9.9,-55.19,0,8,-1, 494.306, 5
mid: mol2, SDF, SMILES, flexibase
5.44,12.08,-19.18,1,8,0, 495.314, 5
41120772
 
#25

eMolecules: 46428836
Molport: MolPort-019-848-086
PKChem: PKC_30955
Princeton BioMolecular Research: OSSL_316923
ref: mol2, SDF, SMILES, flexibase
4.82,9.6,-127.74,0,7,-2, 413.414, 5
mid: mol2, SDF, SMILES, flexibase
4.63,11.26,-74.09,1,7,-1, 414.422, 5
41120769
 
#26

eMolecules: 46428834
Molport: MolPort-019-848-085
PKChem: PKC_30954
Princeton BioMolecular Research: OSSL_316922
ref: mol2, SDF, SMILES, flexibase
4.84,9.59,-105.74,0,7,-2, 413.414, 5
mid: mol2, SDF, SMILES, flexibase
4.66,11.27,-61.49,1,7,-1, 414.422, 5

Similar to: 33761886, 40147197,
20324553
 
#27

eMolecules: 27056275
Molport: MolPort-007-652-385
ChemDiv: C639-0252
PKChem: PKC_30953
Princeton BioMolecular Research: OSSL_316921...6 total

ref: mol2, SDF, SMILES, flexibase
5.33,11.13,-48.94,0,5,-1, 416.507, 6
mid: mol2, SDF, SMILES, flexibase
5.14,12.04,-13.95,1,5,0, 417.515, 6
41120766
 
#28

eMolecules: 46428832
Molport: MolPort-019-848-084
PKChem: PKC_30952
Princeton BioMolecular Research: OSSL_316920
PubChem: 52103897...5 total

ref: mol2, SDF, SMILES, flexibase
6.00,10.36,-30.17,1,5,0, 451.96, 6
mid: mol2, SDF, SMILES, flexibase
5.82,12.6,-13.43,1,5,0, 451.96, 6
41120763
 
#29

eMolecules: 46428830
Molport: MolPort-019-848-083
PKChem: PKC_30951
Princeton BioMolecular Research: OSSL_316919
ref: mol2, SDF, SMILES, flexibase
4.45,4.75,-46.77,1,5,-1, 399.249, 3
mid: mol2, SDF, SMILES, flexibase
4.26,6.42,-14.49,2,5,0, 400.257, 3
hi: mol2, SDF, SMILES, flexibase
4.26,7.2,-44.1,1,5,-1, 399.249, 3
hi: mol2, SDF, SMILES, flexibase
4.45,5.53,-92.38,0,5,-2, 398.241, 3
41120760
 
#30

Molport: MolPort-019-848-082
PKChem: PKC_30950
Princeton BioMolecular Research: OSSL_316918
ref: mol2, SDF, SMILES, flexibase
5.94,10.04,-49.07,0,5,-1, 436.925, 5
mid: mol2, SDF, SMILES, flexibase
5.76,11.71,-15.34,1,5,0, 437.933, 5
41120757
 
#31

eMolecules: 46428826
Molport: MolPort-019-848-081
PKChem: PKC_30949
Princeton BioMolecular Research: OSSL_316917
PubChem: 52103891...5 total

ref: mol2, SDF, SMILES, flexibase
5.71,9.06,-21.43,1,5,0, 417.515, 5
mid: mol2, SDF, SMILES, flexibase
5.53,12.2,-16.19,1,5,0, 417.515, 5
41120754
 
#32

eMolecules: 46428824
Molport: MolPort-019-848-080
PKChem: PKC_30948
Princeton BioMolecular Research: OSSL_316916
ref: mol2, SDF, SMILES, flexibase
3.94,6.01,-47.51,0,5,-1, 373.211, 3
mid: mol2, SDF, SMILES, flexibase
3.76,7.69,-14.13,1,5,0, 374.219, 3
41120751
 
#33

eMolecules: 46428822
Molport: MolPort-019-848-079
PKChem: PKC_30947
Princeton BioMolecular Research: OSSL_316915
ref: mol2, SDF, SMILES, flexibase
3.65,6.06,-45.69,0,4,-1, 310.383, 3
mid: mol2, SDF, SMILES, flexibase
3.47,7.73,-10.96,1,4,0, 311.391, 3
41120748
 
#34

eMolecules: 46428820
Molport: MolPort-019-848-078
PKChem: PKC_30946
Princeton BioMolecular Research: OSSL_316914
ref: mol2, SDF, SMILES, flexibase
4.22,7.8,-49.04,0,6,-1, 406.83, 3
mid: mol2, SDF, SMILES, flexibase
4.03,9.47,-15.34,1,6,0, 407.838, 3
9089648
 
#35

eMolecules: 46498121, 26364731
Molport: MolPort-002-639-127
IBScreen: STOCK5S-34578
Pharmeks: PHAR130244
PKChem: PKC_30945...12 total

ref: mol2, SDF, SMILES, flexibase
3.06,4.43,-51.45,1,7,-1, 388.384, 3
mid: mol2, SDF, SMILES, flexibase
2.87,6.11,-16.93,2,7,0, 389.392, 3
41120745
 
#36

eMolecules: 46428818
Molport: MolPort-019-848-077
PKChem: PKC_30944
Princeton BioMolecular Research: OSSL_316912
ref: mol2, SDF, SMILES, flexibase
2.91,5.29,-46.61,1,5,-1, 293.331, 3
mid: mol2, SDF, SMILES, flexibase
2.72,6.96,-11.17,2,5,0, 294.339, 3
41120742
 
#37

eMolecules: 46428816
Molport: MolPort-019-848-076
PKChem: PKC_30943
Princeton BioMolecular Research: OSSL_316911
ref: mol2, SDF, SMILES, flexibase
5.30,12.71,-53.38,0,5,-1, 425.537, 5
mid: mol2, SDF, SMILES, flexibase
5.11,14.39,-13.71,1,5,0, 426.545, 5

Similar to: 26284393, 26284400, 26284405, 26299462, ... 4 in total.
41120739
 
#38

eMolecules: 46428814
Molport: MolPort-019-848-075
PKChem: PKC_30942
Princeton BioMolecular Research: OSSL_316910
ref: mol2, SDF, SMILES, flexibase
5.75,13.78,-55.26,0,5,-1, 447.543, 4
mid: mol2, SDF, SMILES, flexibase
5.57,15.46,-14.79,1,5,0, 448.551, 4

Similar to: 26284393, 26284400, 26284405, 26299462, ... 4 in total.
41120736
 
#39

eMolecules: 46428808
Molport: MolPort-019-848-072
PKChem: PKC_30939
Princeton BioMolecular Research: OSSL_316907
ref: mol2, SDF, SMILES, flexibase
6.40,13.84,-54.16,0,6,-1, 491.596, 8
mid: mol2, SDF, SMILES, flexibase
6.21,15.51,-15.61,1,6,0, 492.604, 8
41120733
 
#40

eMolecules: 46428808
Molport: MolPort-019-848-072
PKChem: PKC_30939
Princeton BioMolecular Research: OSSL_316907
ref: mol2, SDF, SMILES, flexibase
6.40,13.55,-54.5,0,6,-1, 491.596, 8
mid: mol2, SDF, SMILES, flexibase
6.21,15.23,-15.7,1,6,0, 492.604, 8
41120730
 
#41

eMolecules: 46428806
Molport: MolPort-019-848-071
PKChem: PKC_30938
Princeton BioMolecular Research: OSSL_316906
ref: mol2, SDF, SMILES, flexibase
5.92,13.26,-54.5,0,6,-1, 477.569, 8
mid: mol2, SDF, SMILES, flexibase
5.74,14.93,-16.02,1,6,0, 478.577, 8
41120727
 
#42

eMolecules: 46428804
Molport: MolPort-019-848-070
PKChem: PKC_30937
Princeton BioMolecular Research: OSSL_316905
ref: mol2, SDF, SMILES, flexibase
6.35,13.94,-54.68,0,6,-1, 491.596, 8
mid: mol2, SDF, SMILES, flexibase
6.16,15.62,-16.15,1,6,0, 492.604, 8
41120724
 
#43

eMolecules: 46428802
Molport: MolPort-019-848-069
PKChem: PKC_30936
Princeton BioMolecular Research: OSSL_316904
ref: mol2, SDF, SMILES, flexibase
6.37,13.94,-54.53,0,6,-1, 491.596, 8
mid: mol2, SDF, SMILES, flexibase
6.19,15.61,-16.01,1,6,0, 492.604, 8
41120721
 
#44

eMolecules: 31494657
Molport: MolPort-019-848-068
PKChem: PKC_30935
Princeton BioMolecular Research: OSSL_316903
ref: mol2, SDF, SMILES, flexibase
5.48,13.5,-53.43,0,8,-1, 478.513, 6
mid: mol2, SDF, SMILES, flexibase
5.29,15.17,-16.17,1,8,0, 479.521, 6
41120718
 
#45

eMolecules: 31494655
Molport: MolPort-019-848-067
PKChem: PKC_30934
Princeton BioMolecular Research: OSSL_316902
ref: mol2, SDF, SMILES, flexibase
5.53,13.54,-56.29,0,8,-1, 478.513, 6
mid: mol2, SDF, SMILES, flexibase
5.34,15.21,-19.49,1,8,0, 479.521, 6
41120715
 
#46

eMolecules: 46428800
Molport: MolPort-019-848-066
PKChem: PKC_30933
Princeton BioMolecular Research: OSSL_316901
ref: mol2, SDF, SMILES, flexibase
6.24,13.34,-52.72,0,5,-1, 467.961, 5
mid: mol2, SDF, SMILES, flexibase
6.06,15.01,-14.54,1,5,0, 468.969, 5
41120712
 
#47

eMolecules: 46428798
Molport: MolPort-019-848-065
PKChem: PKC_30932
Princeton BioMolecular Research: OSSL_316900
ref: mol2, SDF, SMILES, flexibase
6.20,13.09,-56.56,0,5,-1, 467.961, 5
mid: mol2, SDF, SMILES, flexibase
6.01,14.76,-15.15,1,5,0, 468.969, 5
41120709
 
#48

eMolecules: 46428796
Molport: MolPort-019-848-064
PKChem: PKC_30930
Princeton BioMolecular Research: OSSL_316899
PubChem: 52103859...5 total

ref: mol2, SDF, SMILES, flexibase
6.28,11.53,-16.73,1,6,0, 498.995, 7
mid: mol2, SDF, SMILES, flexibase
6.10,14.71,-14.88,1,6,0, 498.995, 7
41120705
 
#49

eMolecules: 46428794
Molport: MolPort-019-848-063
PKChem: PKC_30929
Princeton BioMolecular Research: OSSL_316898
ref: mol2, SDF, SMILES, flexibase
6.33,13,-51.15,0,6,-1, 497.987, 7
mid: mol2, SDF, SMILES, flexibase
6.15,14.67,-14.06,1,6,0, 498.995, 7
41120702
 
#50

eMolecules: 46428792
Molport: MolPort-019-848-062
PKChem: PKC_30928
Princeton BioMolecular Research: OSSL_316897
ref: mol2, SDF, SMILES, flexibase
5.71,11.77,-53.12,0,7,-1, 493.568, 8
mid: mol2, SDF, SMILES, flexibase
5.52,13.45,-15.35,1,7,0, 494.576, 8
41120697
 
#51

eMolecules: 46428790
Molport: MolPort-019-848-061
PKChem: PKC_30927
Princeton BioMolecular Research: OSSL_316896
ref: mol2, SDF, SMILES, flexibase
5.69,11.78,-53.28,0,7,-1, 493.568, 8
mid: mol2, SDF, SMILES, flexibase
5.50,13.45,-15.83,1,7,0, 494.576, 8
41120694
 
#52

eMolecules: 46428788
Molport: MolPort-019-848-060
PKChem: PKC_30926
Princeton BioMolecular Research: OSSL_316895
ref: mol2, SDF, SMILES, flexibase
5.27,12.38,-54.39,0,7,-1, 493.568, 8
mid: mol2, SDF, SMILES, flexibase
5.08,14.07,-16.35,1,7,0, 494.576, 8
41120691
 
#53

eMolecules: 46428786
Molport: MolPort-019-848-059
PKChem: PKC_30925
Princeton BioMolecular Research: OSSL_316894
ref: mol2, SDF, SMILES, flexibase
5.65,12.48,-51.99,0,6,-1, 463.542, 7
mid: mol2, SDF, SMILES, flexibase
5.47,14.15,-14.23,1,6,0, 464.55, 7
41120688
 
#54

eMolecules: 46428784
Molport: MolPort-019-848-058
PKChem: PKC_30924
Princeton BioMolecular Research: OSSL_316893
ref: mol2, SDF, SMILES, flexibase
6.10,13.16,-52.01,0,6,-1, 477.569, 7
mid: mol2, SDF, SMILES, flexibase
5.92,14.84,-14.14,1,6,0, 478.577, 7
41120685
 
#55

eMolecules: 46428782
Molport: MolPort-019-848-057
PKChem: PKC_30923
Princeton BioMolecular Research: OSSL_316892
ref: mol2, SDF, SMILES, flexibase
4.22,7.98,-48.16,0,6,-1, 390.444, 7
mid: mol2, SDF, SMILES, flexibase
4.04,9.65,-14.81,1,6,0, 391.452, 7

Similar to: 40147193,
41120682
 
#56

eMolecules: 46428778
Molport: MolPort-019-848-055
PKChem: PKC_30921
Princeton BioMolecular Research: OSSL_316890
ref: mol2, SDF, SMILES, flexibase
4.32,7.97,-48.19,0,6,-1, 392.46, 6
mid: mol2, SDF, SMILES, flexibase
4.13,9.66,-14.51,1,6,0, 393.468, 6
41120676
 
#57

eMolecules: 46428772
Molport: MolPort-019-848-052
PKChem: PKC_30917
Princeton BioMolecular Research: OSSL_316887
ref: mol2, SDF, SMILES, flexibase
4.79,8.01,-50.69,0,5,-1, 382.852, 5
mid: mol2, SDF, SMILES, flexibase
4.61,9.69,-12.69,1,5,0, 383.86, 5
41120673
 
#58

eMolecules: 46428770
Molport: MolPort-019-848-051
PKChem: PKC_30916
Princeton BioMolecular Research: OSSL_316886
ref: mol2, SDF, SMILES, flexibase
5.06,8.59,-50.84,0,5,-1, 394.863, 6
mid: mol2, SDF, SMILES, flexibase
4.88,10.28,-12.72,1,5,0, 395.871, 6
41120670
 
#59

eMolecules: 46428768
Molport: MolPort-019-848-050
PKChem: PKC_30914
Princeton BioMolecular Research: OSSL_316885
ref: mol2, SDF, SMILES, flexibase
3.82,5.6,-48.71,0,6,-1, 348.363, 3
mid: mol2, SDF, SMILES, flexibase
3.64,7.26,-16.05,1,6,0, 349.371, 3

Similar to: 34865562,
41120667
 
#60

eMolecules: 46428766
Molport: MolPort-019-848-049
PKChem: PKC_30913
Princeton BioMolecular Research: OSSL_316884
ref: mol2, SDF, SMILES, flexibase
4.55,7.19,-50.49,0,5,-1, 413.276, 4
mid: mol2, SDF, SMILES, flexibase
4.36,8.87,-12.89,1,5,0, 414.284, 4
41120664
 
#61

eMolecules: 46428764
Molport: MolPort-019-848-048
PKChem: PKC_30912
Princeton BioMolecular Research: OSSL_316883
ref: mol2, SDF, SMILES, flexibase
3.58,6.45,-48.31,0,6,-1, 364.406, 5
mid: mol2, SDF, SMILES, flexibase
3.39,8.13,-14.77,1,6,0, 365.414, 5

Similar to: 34865562,
41120661
 
#62

eMolecules: 46428762
Molport: MolPort-019-848-047
PKChem: PKC_30911
Princeton BioMolecular Research: OSSL_316882
ref: mol2, SDF, SMILES, flexibase
4.10,6.99,-43.79,0,4,-1, 322.344, 3
mid: mol2, SDF, SMILES, flexibase
3.91,8.65,-12.17,1,4,0, 323.352, 3

Similar to: 40147194, 40147195,
41120658
 
#63

eMolecules: 46428760
Molport: MolPort-019-848-046
PKChem: PKC_30910
Princeton BioMolecular Research: OSSL_316881
ref: mol2, SDF, SMILES, flexibase
3.58,6.52,-48.29,0,7,-1, 394.432, 6
mid: mol2, SDF, SMILES, flexibase
3.40,8.21,-13.69,1,7,0, 395.44, 6
41120655
 
#64

eMolecules: 46428758
Molport: MolPort-019-848-045
PKChem: PKC_30909
Princeton BioMolecular Research: OSSL_316880
PubChem: 52103826...5 total

ref: mol2, SDF, SMILES, flexibase
5.96,9.95,-20,1,7,0, 499.592, 10
mid: mol2, SDF, SMILES, flexibase
5.77,13.13,-17.39,1,7,0, 499.592, 10

Similar to: 40147193,
41120652
 
#65

eMolecules: 46428756
Molport: MolPort-019-848-044
PKChem: PKC_30908
Princeton BioMolecular Research: OSSL_316879
ref: mol2, SDF, SMILES, flexibase
5.98,11.47,-50.19,0,7,-1, 498.584, 10
mid: mol2, SDF, SMILES, flexibase
5.80,13.13,-17.17,1,7,0, 499.592, 10

Similar to: 40147193,
41120648
 
#66

eMolecules: 46428754
Molport: MolPort-019-848-043
PKChem: PKC_30907
Princeton BioMolecular Research: OSSL_316878
ref: mol2, SDF, SMILES, flexibase
6.62,11.1,-49.24,0,6,-1, 488.976, 9
mid: mol2, SDF, SMILES, flexibase
6.43,12.75,-15.87,1,6,0, 489.984, 9

Similar to: 34378629,
41120645
 
#67

eMolecules: 46428752
Molport: MolPort-019-848-042
PKChem: PKC_30906
Princeton BioMolecular Research: OSSL_316877
ref: mol2, SDF, SMILES, flexibase
6.37,11.56,-50.2,0,6,-1, 468.558, 9
mid: mol2, SDF, SMILES, flexibase
6.18,13.23,-17.02,1,6,0, 469.566, 9
41120642
 
#68

eMolecules: 46428750
Molport: MolPort-019-848-041
PKChem: PKC_30905
Princeton BioMolecular Research: OSSL_316876
ref: mol2, SDF, SMILES, flexibase
5.94,10.88,-50.04,0,6,-1, 454.531, 9
mid: mol2, SDF, SMILES, flexibase
5.76,12.55,-16.88,1,6,0, 455.539, 9
41120639
 
#69

eMolecules: 46428748
Molport: MolPort-019-848-040
PKChem: PKC_30904
Princeton BioMolecular Research: OSSL_316875
ref: mol2, SDF, SMILES, flexibase
6.39,11.56,-50.01,0,6,-1, 468.558, 9
mid: mol2, SDF, SMILES, flexibase
6.21,13.23,-16.85,1,6,0, 469.566, 9
41120636
 
#70

eMolecules: 46428746
Molport: MolPort-019-848-039
PKChem: PKC_30903
Princeton BioMolecular Research: OSSL_316874
ref: mol2, SDF, SMILES, flexibase
5.47,10.62,-53.99,0,7,-1, 484.557, 11
mid: mol2, SDF, SMILES, flexibase
5.28,12.29,-18.73,1,7,0, 485.565, 11
41120633
 
#71

eMolecules: 46428744
Molport: MolPort-019-848-038
PKChem: PKC_30902
Princeton BioMolecular Research: OSSL_316873
ref: mol2, SDF, SMILES, flexibase
6.43,11.76,-48.61,0,6,-1, 488.976, 7
mid: mol2, SDF, SMILES, flexibase
6.24,13.44,-16.57,1,6,0, 489.984, 7
41120630
 
#72

eMolecules: 46428742
Molport: MolPort-019-848-037
PKChem: PKC_30901
Princeton BioMolecular Research: OSSL_316872
ref: mol2, SDF, SMILES, flexibase
6.38,11.73,-48.53,0,6,-1, 488.976, 7
mid: mol2, SDF, SMILES, flexibase
6.19,13.41,-16.57,1,6,0, 489.984, 7
41120627
 
#73

eMolecules: 46428740
Molport: MolPort-019-848-036
PKChem: PKC_30900
Princeton BioMolecular Research: OSSL_316871
ref: mol2, SDF, SMILES, flexibase
6.14,11.18,-47.74,0,6,-1, 492.939, 7
mid: mol2, SDF, SMILES, flexibase
5.96,12.85,-16.47,1,6,0, 493.947, 7
41120623
 
#74

eMolecules: 46428738
Molport: MolPort-019-848-035
PKChem: PKC_30899
Princeton BioMolecular Research: OSSL_316870
PubChem: 52103806...5 total

ref: mol2, SDF, SMILES, flexibase
6.09,9.72,-20.43,1,6,0, 493.947, 7
mid: mol2, SDF, SMILES, flexibase
5.91,12.9,-16.59,1,6,0, 493.947, 7
41120620
 
#75

eMolecules: 46428736
Molport: MolPort-019-848-034
PKChem: PKC_30898
Princeton BioMolecular Research: OSSL_316869
ref: mol2, SDF, SMILES, flexibase
6.00,12.04,-49.07,0,6,-1, 468.558, 8
mid: mol2, SDF, SMILES, flexibase
5.81,13.71,-15.69,1,6,0, 469.566, 8

Similar to: 40147192,
41120617
 
#76

eMolecules: 46428734
Molport: MolPort-019-848-033
PKChem: PKC_30897
Princeton BioMolecular Research: OSSL_316868
ref: mol2, SDF, SMILES, flexibase
5.97,12.03,-49.11,0,6,-1, 468.558, 8
mid: mol2, SDF, SMILES, flexibase
5.79,13.7,-15.7,1,6,0, 469.566, 8
41120614
 
#77

eMolecules: 46428732
Molport: MolPort-019-848-032
PKChem: PKC_30896
Princeton BioMolecular Research: OSSL_316867
ref: mol2, SDF, SMILES, flexibase
5.95,12,-48.89,0,6,-1, 468.558, 8
mid: mol2, SDF, SMILES, flexibase
5.77,13.68,-15.59,1,6,0, 469.566, 8
41120610
 
#78

eMolecules: 46428730
Molport: MolPort-019-848-031
PKChem: PKC_30895
Princeton BioMolecular Research: OSSL_316866
ref: mol2, SDF, SMILES, flexibase
5.26,11.72,-52.18,0,7,-1, 479.541, 8
mid: mol2, SDF, SMILES, flexibase
5.07,13.4,-17.31,1,7,0, 480.549, 8
41120607
 
#79

eMolecules: 46428728
Molport: MolPort-019-848-030
PKChem: PKC_30894
Princeton BioMolecular Research: OSSL_316865
ref: mol2, SDF, SMILES, flexibase
6.18,11.9,-48.79,0,6,-1, 488.976, 8
mid: mol2, SDF, SMILES, flexibase
6.00,13.58,-14.92,1,6,0, 489.984, 8
41120604
 
#80

eMolecules: 46428726
Molport: MolPort-019-848-029
PKChem: PKC_30893
Princeton BioMolecular Research: OSSL_316864
ref: mol2, SDF, SMILES, flexibase
5.71,11.44,-48.57,0,6,-1, 472.521, 8
mid: mol2, SDF, SMILES, flexibase
5.53,13.11,-15.84,1,6,0, 473.529, 8
41120601
 
#81

eMolecules: 46428724
Molport: MolPort-019-848-028
PKChem: PKC_30892
Princeton BioMolecular Research: OSSL_316863
ref: mol2, SDF, SMILES, flexibase
5.55,11.37,-49.04,0,6,-1, 454.531, 8
mid: mol2, SDF, SMILES, flexibase
5.37,13.04,-15.63,1,6,0, 455.539, 8

Similar to: 40147192,
41120598
 
#82

eMolecules: 46428722
Molport: MolPort-019-848-027
PKChem: PKC_30891
Princeton BioMolecular Research: OSSL_316862
ref: mol2, SDF, SMILES, flexibase
5.67,11.48,-49.33,0,6,-1, 472.521, 8
mid: mol2, SDF, SMILES, flexibase
5.48,13.16,-15.38,1,6,0, 473.529, 8
41120594
 
#83

eMolecules: 46428720
Molport: MolPort-019-848-026
PKChem: PKC_30890
Princeton BioMolecular Research: OSSL_316861
ref: mol2, SDF, SMILES, flexibase
5.62,11.1,-49.26,0,6,-1, 454.531, 7
mid: mol2, SDF, SMILES, flexibase
5.44,12.78,-15.72,1,6,0, 455.539, 7

Similar to: 40147192,
41120591
 
#84

eMolecules: 46428718
Molport: MolPort-019-848-025
PKChem: PKC_30889
Princeton BioMolecular Research: OSSL_316860
ref: mol2, SDF, SMILES, flexibase
5.60,11.09,-49.37,0,6,-1, 454.531, 7
mid: mol2, SDF, SMILES, flexibase
5.41,12.77,-15.76,1,6,0, 455.539, 7
41120588
 
#85

PKChem: PKC_30888
Princeton BioMolecular Research: OSSL_316859
ref: mol2, SDF, SMILES, flexibase
5.09,11.06,-53.79,0,9,-1, 485.501, 8
mid: mol2, SDF, SMILES, flexibase
4.90,12.74,-18.81,1,9,0, 486.509, 8
41120585
 
#86

PKChem: PKC_30887
Princeton BioMolecular Research: OSSL_316858
ref: mol2, SDF, SMILES, flexibase
5.57,11.05,-49.13,0,6,-1, 454.531, 7
mid: mol2, SDF, SMILES, flexibase
5.39,12.74,-15.7,1,6,0, 455.539, 7
41120582
 
#87

PKChem: PKC_30886
Princeton BioMolecular Research: OSSL_316857
ref: mol2, SDF, SMILES, flexibase
5.13,11.16,-51.06,0,9,-1, 485.501, 8
mid: mol2, SDF, SMILES, flexibase
4.95,12.83,-19.37,1,9,0, 486.509, 8
41120579
 
#88

PKChem: PKC_30885
Princeton BioMolecular Research: OSSL_316856
ref: mol2, SDF, SMILES, flexibase
5.85,10.97,-48.47,0,6,-1, 474.949, 7
mid: mol2, SDF, SMILES, flexibase
5.67,12.64,-15.6,1,6,0, 475.957, 7
41120576
 
#89

PKChem: PKC_30884
Princeton BioMolecular Research: OSSL_316855
ref: mol2, SDF, SMILES, flexibase
5.80,10.97,-49.04,0,6,-1, 474.949, 7
mid: mol2, SDF, SMILES, flexibase
5.62,12.66,-15.11,1,6,0, 475.957, 7
41108912
 
#90

PKChem: PKC_30883
Princeton BioMolecular Research: OSSL_316854
ref: mol2, SDF, SMILES, flexibase
5.29,10.56,-49.65,0,6,-1, 458.494, 7
mid: mol2, SDF, SMILES, flexibase
5.10,12.24,-15.63,1,6,0, 459.502, 7

Similar to: 20922544,
41108911
 
#91

PKChem: PKC_30882
Princeton BioMolecular Research: OSSL_316853
PubChem: 52103742
ref: mol2, SDF, SMILES, flexibase
6.84,10.5,-30.07,1,5,0, 480.376, 6
mid: mol2, SDF, SMILES, flexibase
6.66,12.74,-14.14,1,5,0, 480.376, 6

Similar to: 34378629,
41108910
 
#92

PKChem: PKC_30881
Princeton BioMolecular Research: OSSL_316852
ref: mol2, SDF, SMILES, flexibase
6.03,11.2,-49.01,0,5,-1, 424.505, 6
mid: mol2, SDF, SMILES, flexibase
5.85,12.87,-14.87,1,5,0, 425.513, 6
41108909
 
#93

PKChem: PKC_30880
Princeton BioMolecular Research: OSSL_316851
ref: mol2, SDF, SMILES, flexibase
6.01,11.2,-49.01,0,5,-1, 424.505, 6
mid: mol2, SDF, SMILES, flexibase
5.82,12.86,-14.89,1,5,0, 425.513, 6
41108908
 
#94

PKChem: PKC_30879
Princeton BioMolecular Research: OSSL_316850
ref: mol2, SDF, SMILES, flexibase
5.99,11.21,-48.89,0,5,-1, 424.505, 6
mid: mol2, SDF, SMILES, flexibase
5.80,12.88,-15.11,1,5,0, 425.513, 6
41108907
 
#95

PKChem: PKC_30878
Princeton BioMolecular Research: OSSL_316849
ref: mol2, SDF, SMILES, flexibase
5.54,10.94,-51.52,0,8,-1, 455.475, 7
mid: mol2, SDF, SMILES, flexibase
5.36,12.59,-18.96,1,8,0, 456.483, 7

Similar to: 40147196,
41108906
 
#96

PKChem: PKC_30877
Princeton BioMolecular Research: OSSL_316848
ref: mol2, SDF, SMILES, flexibase
5.95,11.15,-49.86,0,5,-1, 424.505, 6
mid: mol2, SDF, SMILES, flexibase
5.76,12.81,-13.7,1,5,0, 425.513, 6
41108905
 
#97

PKChem: PKC_30877
Princeton BioMolecular Research: OSSL_316848
PubChem: 52103730
ref: mol2, SDF, SMILES, flexibase
5.95,9.66,-16.97,1,5,0, 425.513, 6
mid: mol2, SDF, SMILES, flexibase
5.76,12.8,-14.71,1,5,0, 425.513, 6
41108904
 
#98

PKChem: PKC_30876
Princeton BioMolecular Research: OSSL_316847
ref: mol2, SDF, SMILES, flexibase
6.87,11.19,-48.32,0,5,-1, 479.368, 6
mid: mol2, SDF, SMILES, flexibase
6.68,12.85,-15.13,1,5,0, 480.376, 6
41108903
 
#99

PKChem: PKC_30875
Princeton BioMolecular Research: OSSL_316846
ref: mol2, SDF, SMILES, flexibase
6.87,11.31,-45.8,0,5,-1, 479.368, 6
mid: mol2, SDF, SMILES, flexibase
6.68,12.97,-12.43,1,5,0, 480.376, 6
41108902
 
#100

PKChem: PKC_30874
Princeton BioMolecular Research: OSSL_316845
ref: mol2, SDF, SMILES, flexibase
6.26,10.75,-47.65,0,5,-1, 444.923, 6
mid: mol2, SDF, SMILES, flexibase
6.08,12.4,-14.37,1,5,0, 445.931, 6

Similar to: 34378629,

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 = 702 ) limit 0,100

Smiles were