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95092787
 
#1

Chembo Pharma: KB-134015
ref: mol2, SDF, SMILES, flexibase
1.87,7.28,-43.47,3,5,1, 284.387, 3
hi: mol2, SDF, SMILES, flexibase
1.87,6,-7.3,2,5,0, 283.379, 3
95092786
 
#2

Chembo Pharma: KB-134014
ref: mol2, SDF, SMILES, flexibase
1.97,5.35,-49.04,4,5,1, 270.36, 4
hi: mol2, SDF, SMILES, flexibase
1.97,3.91,-7.95,3,5,0, 269.352, 4
95092785
 
#3

Chembo Pharma: KB-134013
ref: mol2, SDF, SMILES, flexibase
1.89,5.99,-48.58,4,5,1, 284.387, 4
95092784
 
#4

Chembo Pharma: KB-134012
ref: mol2, SDF, SMILES, flexibase
1.97,5.35,-49.04,4,5,1, 270.36, 4
hi: mol2, SDF, SMILES, flexibase
1.97,3.92,-8.1,3,5,0, 269.352, 4
95092783
 
#5

Chembo Pharma: KB-134011
ref: mol2, SDF, SMILES, flexibase
1.89,5.99,-48.61,4,5,1, 284.387, 4
95092782
 
#6

Chembo Pharma: KB-133973
ref: mol2, SDF, SMILES, flexibase
1.64,4.03,-42.35,2,3,1, 235.332, 2
95092781
 
#7

Chembo Pharma: KB-133972
ref: mol2, SDF, SMILES, flexibase
0.00,1.56,-46.91,3,5,1, 219.268, 2
mid: mol2, SDF, SMILES, flexibase
0.00,1.6,-45.71,3,5,1, 219.268, 2
lo: mol2, SDF, SMILES, flexibase
0.00,2.49,-89.15,4,5,2, 220.276, 2
95092780
 
#8

Chembo Pharma: KB-133957
ref: mol2, SDF, SMILES, flexibase
2.36,4.53,-44.91,2,3,1, 232.332, 2
hi: mol2, SDF, SMILES, flexibase
2.36,3.03,-6.52,1,3,0, 231.324, 2
95092779
 
#9

Chembo Pharma: KB-133955
ref: mol2, SDF, SMILES, flexibase
2.46,3.29,-41.9,2,3,1, 221.305, 2
hi: mol2, SDF, SMILES, flexibase
2.46,1.85,-6.56,1,3,0, 220.297, 2
95092778
 
#10

Chembo Pharma: KB-133954
ref: mol2, SDF, SMILES, flexibase
0.81,0.82,-47.33,3,5,1, 205.241, 2
mid: mol2, SDF, SMILES, flexibase
0.81,0.86,-45.08,3,5,1, 205.241, 2
mid: mol2, SDF, SMILES, flexibase
0.81,1.77,-91.66,4,5,2, 206.249, 2
hi: mol2, SDF, SMILES, flexibase
0.81,-0.62,-10.65,2,5,0, 204.233, 2
95092777
 
#11

Chembo Pharma: KB-133947
ref: mol2, SDF, SMILES, flexibase
2.26,4.81,-46.71,3,3,1, 220.321, 2
hi: mol2, SDF, SMILES, flexibase
2.26,3.38,-7.96,2,3,0, 219.313, 2
95092776
 
#12

Chembo Pharma: KB-133946
SureChEMBL: SCHEMBL9689165, SCHEMBL9688928
ref: mol2, SDF, SMILES, flexibase
0.61,4.27,-49.6,4,5,1, 204.257, 2
mid: mol2, SDF, SMILES, flexibase
0.61,4.21,-54.93,4,5,1, 204.257, 2
mid: mol2, SDF, SMILES, flexibase
0.61,4.68,-86.81,5,5,2, 205.265, 2
hi: mol2, SDF, SMILES, flexibase
0.61,2.84,-8.29,3,5,0, 203.249, 2
hi: mol2, SDF, SMILES, flexibase
0.61,4.28,-50.36,4,5,1, 204.257, 2
95092775
 
#13

Chembo Pharma: KB-133931
ref: mol2, SDF, SMILES, flexibase
2.36,4.63,-45.13,2,3,1, 232.332, 2
hi: mol2, SDF, SMILES, flexibase
2.36,3.14,-6.57,1,3,0, 231.324, 2
95092774
 
#14

Chembo Pharma: KB-133928
ref: mol2, SDF, SMILES, flexibase
2.46,3.3,-42.03,2,3,1, 221.305, 2
hi: mol2, SDF, SMILES, flexibase
2.46,1.89,-6.51,1,3,0, 220.297, 2
95092773
 
#15

Chembo Pharma: KB-133927
ref: mol2, SDF, SMILES, flexibase
0.81,0.84,-47.27,3,5,1, 205.241, 2
mid: mol2, SDF, SMILES, flexibase
0.81,0.87,-45.43,3,5,1, 205.241, 2
mid: mol2, SDF, SMILES, flexibase
0.81,1.78,-91.78,4,5,2, 206.249, 2
hi: mol2, SDF, SMILES, flexibase
0.81,-0.58,-10.44,2,5,0, 204.233, 2
95092772
 
#16

Chembo Pharma: KB-133919
ref: mol2, SDF, SMILES, flexibase
2.26,4.81,-46.71,3,3,1, 220.321, 2
hi: mol2, SDF, SMILES, flexibase
2.26,3.38,-7.66,2,3,0, 219.313, 2
95092771
 
#17

Chembo Pharma: KB-133918
SureChEMBL: SCHEMBL9689165, SCHEMBL9688928
ref: mol2, SDF, SMILES, flexibase
0.61,4.27,-49.56,4,5,1, 204.257, 2
mid: mol2, SDF, SMILES, flexibase
0.61,4.21,-54.95,4,5,1, 204.257, 2
mid: mol2, SDF, SMILES, flexibase
0.61,4.67,-86.77,5,5,2, 205.265, 2
hi: mol2, SDF, SMILES, flexibase
0.61,2.84,-8.84,3,5,0, 203.249, 2
hi: mol2, SDF, SMILES, flexibase
0.61,4.28,-50.36,4,5,1, 204.257, 2
95092770
 
#18

Chembo Pharma: KB-133909
ref: mol2, SDF, SMILES, flexibase
1.81,5.43,-41.87,2,2,1, 229.394, 4
95092769
 
#19

Chembo Pharma: KB-133908
ref: mol2, SDF, SMILES, flexibase
1.89,4.76,-43.4,2,2,1, 215.367, 4
95092768
 
#20

Chembo Pharma: KB-133908
ref: mol2, SDF, SMILES, flexibase
1.89,4.73,-43.47,2,2,1, 215.367, 4
95092767
 
#21

Chembo Pharma: KB-133907
ref: mol2, SDF, SMILES, flexibase
1.81,5.4,-43.76,2,2,1, 229.394, 4
95092766
 
#22

Chembo Pharma: KB-133907
ref: mol2, SDF, SMILES, flexibase
1.81,5.4,-43.83,2,2,1, 229.394, 4
95092765
 
#23

Chembo Pharma: KB-133906
ref: mol2, SDF, SMILES, flexibase
1.78,4.93,-36.85,2,2,1, 215.367, 4
95092764
 
#24

Chembo Pharma: KB-133906
ref: mol2, SDF, SMILES, flexibase
1.78,4.84,-37.18,2,2,1, 215.367, 4
95092763
 
#25

Chembo Pharma: KB-133905
ref: mol2, SDF, SMILES, flexibase
2.28,5.61,-36.22,2,2,1, 229.394, 4
95092762
 
#26

Chembo Pharma: KB-133905
ref: mol2, SDF, SMILES, flexibase
2.28,5.59,-36.98,2,2,1, 229.394, 4
95092761
 
#27

Chembo Pharma: KB-133904
ref: mol2, SDF, SMILES, flexibase
1.43,5.72,-43.18,2,2,1, 209.338, 4
95092760
 
#28

Chembo Pharma: KB-133904
ref: mol2, SDF, SMILES, flexibase
1.43,5.68,-43.41,2,2,1, 209.338, 4
95092759
 
#29

Chembo Pharma: KB-133903
ref: mol2, SDF, SMILES, flexibase
1.35,6.37,-43.63,2,2,1, 223.365, 4
95092758
 
#30

Chembo Pharma: KB-133903
ref: mol2, SDF, SMILES, flexibase
1.35,6.37,-43.63,2,2,1, 223.365, 4
95092757
 
#31

Chembo Pharma: KB-133902
ref: mol2, SDF, SMILES, flexibase
1.32,5.89,-37.23,2,2,1, 209.338, 4
95092756
 
#32

Chembo Pharma: KB-133902
ref: mol2, SDF, SMILES, flexibase
1.32,5.8,-37.27,2,2,1, 209.338, 4
95092755
 
#33

Chembo Pharma: KB-133901
ref: mol2, SDF, SMILES, flexibase
1.82,6.57,-36.62,2,2,1, 223.365, 4
95092754
 
#34

Chembo Pharma: KB-133901
ref: mol2, SDF, SMILES, flexibase
1.82,6.56,-36.98,2,2,1, 223.365, 4
95092753
 
#35

Chembo Pharma: KB-133900
ref: mol2, SDF, SMILES, flexibase
1.40,6.38,-41.72,2,2,1, 223.365, 4
95092752
 
#36

Chembo Pharma: KB-133899
ref: mol2, SDF, SMILES, flexibase
1.48,5.71,-42.62,2,2,1, 209.338, 4
95092751
 
#37

Chembo Pharma: KB-133899
ref: mol2, SDF, SMILES, flexibase
1.48,5.68,-43.16,2,2,1, 209.338, 4
95092750
 
#38

Chembo Pharma: KB-133898
ref: mol2, SDF, SMILES, flexibase
1.40,6.35,-43.25,2,2,1, 223.365, 4
95092749
 
#39

Chembo Pharma: KB-133898
ref: mol2, SDF, SMILES, flexibase
1.40,6.35,-43.1,2,2,1, 223.365, 4
95092748
 
#40

Chembo Pharma: KB-133897
SureChEMBL: SCHEMBL7552181, SCHEMBL7544774
ref: mol2, SDF, SMILES, flexibase
1.37,5.88,-36.91,2,2,1, 209.338, 4
95092747
 
#41

Chembo Pharma: KB-133897
SureChEMBL: SCHEMBL7544770
ref: mol2, SDF, SMILES, flexibase
1.37,5.79,-36.08,2,2,1, 209.338, 4
95092746
 
#42

Chembo Pharma: KB-133896
ref: mol2, SDF, SMILES, flexibase
1.88,6.56,-36.23,2,2,1, 223.365, 4
95092745
 
#43

Chembo Pharma: KB-133896
ref: mol2, SDF, SMILES, flexibase
1.88,6.54,-35.82,2,2,1, 223.365, 4
95092744
 
#44

Chembo Pharma: KB-133895
ref: mol2, SDF, SMILES, flexibase
1.47,6.32,-41,2,2,1, 223.365, 4
95092743
 
#45

Chembo Pharma: KB-133894
ref: mol2, SDF, SMILES, flexibase
1.55,5.65,-42.57,2,2,1, 209.338, 4
95092742
 
#46

Chembo Pharma: KB-133894
ref: mol2, SDF, SMILES, flexibase
1.55,5.62,-42.11,2,2,1, 209.338, 4
95092741
 
#47

Chembo Pharma: KB-133893
ref: mol2, SDF, SMILES, flexibase
1.47,6.29,-42.56,2,2,1, 223.365, 4
95092740
 
#48

Chembo Pharma: KB-133893
ref: mol2, SDF, SMILES, flexibase
1.47,6.29,-43.04,2,2,1, 223.365, 4
95092739
 
#49

Chembo Pharma: KB-133892
ref: mol2, SDF, SMILES, flexibase
1.44,5.82,-34.15,2,2,1, 209.338, 4
95092738
 
#50

Chembo Pharma: KB-133892
ref: mol2, SDF, SMILES, flexibase
1.44,5.73,-35.97,2,2,1, 209.338, 4
95092737
 
#51

Chembo Pharma: KB-133891
ref: mol2, SDF, SMILES, flexibase
1.94,6.5,-33.41,2,2,1, 223.365, 4
95092736
 
#52

Chembo Pharma: KB-133891
ref: mol2, SDF, SMILES, flexibase
1.94,6.48,-35.69,2,2,1, 223.365, 4
95092735
 
#53

Chembo Pharma: KB-133890
ref: mol2, SDF, SMILES, flexibase
1.43,4.71,-45.08,2,2,1, 215.367, 3
95092734
 
#54

Chembo Pharma: KB-133889
ref: mol2, SDF, SMILES, flexibase
0.97,5.68,-44.9,2,2,1, 209.338, 3
95092733
 
#55

Chembo Pharma: KB-133888
ref: mol2, SDF, SMILES, flexibase
1.02,5.66,-44.07,2,2,1, 209.338, 3
95092732
 
#56

Chembo Pharma: KB-133883
ref: mol2, SDF, SMILES, flexibase
1.43,4.69,-42.76,2,2,1, 215.367, 3
95092731
 
#57

Chembo Pharma: KB-133883
ref: mol2, SDF, SMILES, flexibase
1.43,4.69,-42.76,2,2,1, 215.367, 3
95092730
 
#58

Chembo Pharma: KB-133882
ref: mol2, SDF, SMILES, flexibase
0.97,5.65,-42.73,2,2,1, 209.338, 3
95092729
 
#59

Chembo Pharma: KB-133882
ref: mol2, SDF, SMILES, flexibase
0.97,5.65,-42.73,2,2,1, 209.338, 3
95092728
 
#60

Chembo Pharma: KB-133881
ref: mol2, SDF, SMILES, flexibase
1.02,5.64,-42.05,2,2,1, 209.338, 3
95092727
 
#61

Chembo Pharma: KB-133881
ref: mol2, SDF, SMILES, flexibase
1.02,5.64,-42.24,2,2,1, 209.338, 3
95092726
 
#62

Chembo Pharma: KB-133880
ref: mol2, SDF, SMILES, flexibase
1.09,5.58,-41.7,2,2,1, 209.338, 3
95092725
 
#63

Chembo Pharma: KB-133880
ref: mol2, SDF, SMILES, flexibase
1.09,5.58,-41.05,2,2,1, 209.338, 3
95092724
 
#64

Chembo Pharma: KB-133849
ref: mol2, SDF, SMILES, flexibase
2.66,5.86,-44.72,2,3,1, 260.386, 3
95092723
 
#65

Chembo Pharma: KB-133848
ref: mol2, SDF, SMILES, flexibase
2.74,5.19,-44.7,2,3,1, 246.359, 3
95092722
 
#66

Chembo Pharma: KB-133848
ref: mol2, SDF, SMILES, flexibase
2.74,5.16,-44.47,2,3,1, 246.359, 3
95092721
 
#67

Chembo Pharma: KB-133847
ref: mol2, SDF, SMILES, flexibase
2.66,5.83,-45.01,2,3,1, 260.386, 3
95092720
 
#68

Chembo Pharma: KB-133847
ref: mol2, SDF, SMILES, flexibase
2.66,5.83,-44.99,2,3,1, 260.386, 3
95092719
 
#69

Chembo Pharma: KB-133846
ref: mol2, SDF, SMILES, flexibase
2.63,5.36,-40.2,2,3,1, 246.359, 3
95092718
 
#70

Chembo Pharma: KB-133846
ref: mol2, SDF, SMILES, flexibase
2.63,5.27,-40.04,2,3,1, 246.359, 3
95092717
 
#71

Chembo Pharma: KB-133845
ref: mol2, SDF, SMILES, flexibase
3.14,6.03,-39.39,2,3,1, 260.386, 3
95092716
 
#72

Chembo Pharma: KB-133845
ref: mol2, SDF, SMILES, flexibase
3.14,6.03,-39.59,2,3,1, 260.386, 3
95092715
 
#73

Chembo Pharma: KB-133839
ref: mol2, SDF, SMILES, flexibase
1.51,4.06,-43,2,2,1, 201.34, 3
hi: mol2, SDF, SMILES, flexibase
1.51,2.63,-5.43,1,2,0, 200.332, 3
95092714
 
#74

Chembo Pharma: KB-133838
ref: mol2, SDF, SMILES, flexibase
1.05,5.02,-43.09,2,2,1, 195.311, 3
hi: mol2, SDF, SMILES, flexibase
1.05,3.6,-4.99,1,2,0, 194.303, 3
95092713
 
#75

Chembo Pharma: KB-133837
ref: mol2, SDF, SMILES, flexibase
1.10,5.01,-42.65,2,2,1, 195.311, 3
hi: mol2, SDF, SMILES, flexibase
1.10,3.58,-5.26,1,2,0, 194.303, 3
95092712
 
#76

Chembo Pharma: KB-133836
ref: mol2, SDF, SMILES, flexibase
1.17,4.95,-41.29,2,2,1, 195.311, 3
hi: mol2, SDF, SMILES, flexibase
1.17,3.52,-5.63,1,2,0, 194.303, 3
95092711
 
#77

Chembo Pharma: KB-133835
ref: mol2, SDF, SMILES, flexibase
1.51,4.02,-42.65,2,2,1, 201.34, 3
hi: mol2, SDF, SMILES, flexibase
1.51,2.55,-4.88,1,2,0, 200.332, 3
95092710
 
#78

Chembo Pharma: KB-133834
ref: mol2, SDF, SMILES, flexibase
1.05,4.97,-42.53,2,2,1, 195.311, 3
hi: mol2, SDF, SMILES, flexibase
1.05,3.51,-4.48,1,2,0, 194.303, 3
95092709
 
#79

Chembo Pharma: KB-133833
ref: mol2, SDF, SMILES, flexibase
1.10,4.95,-41.65,2,2,1, 195.311, 3
hi: mol2, SDF, SMILES, flexibase
1.10,3.49,-4.68,1,2,0, 194.303, 3
95092708
 
#80

Chembo Pharma: KB-133832
ref: mol2, SDF, SMILES, flexibase
1.17,4.9,-41.45,2,2,1, 195.311, 3
hi: mol2, SDF, SMILES, flexibase
1.17,3.43,-5.2,1,2,0, 194.303, 3
95092707
 
#81

Chembo Pharma: KB-133831
ref: mol2, SDF, SMILES, flexibase
0.63,2.66,-41.32,2,4,1, 208.285, 4
95092706
 
#82

Chembo Pharma: KB-133830
ref: mol2, SDF, SMILES, flexibase
0.71,1.94,-42.11,2,4,1, 194.258, 4
95092705
 
#83

Chembo Pharma: KB-133830
ref: mol2, SDF, SMILES, flexibase
0.71,1.91,-42.17,2,4,1, 194.258, 4
95092704
 
#84

Chembo Pharma: KB-133829
ref: mol2, SDF, SMILES, flexibase
0.63,2.64,-42.68,2,4,1, 208.285, 4
95092703
 
#85

Chembo Pharma: KB-133829
ref: mol2, SDF, SMILES, flexibase
0.63,2.64,-42.67,2,4,1, 208.285, 4
95092702
 
#86

Chembo Pharma: KB-133828
ref: mol2, SDF, SMILES, flexibase
0.60,2.19,-38.76,2,4,1, 194.258, 4
95092701
 
#87

Chembo Pharma: KB-133828
ref: mol2, SDF, SMILES, flexibase
0.60,2.11,-39.13,2,4,1, 194.258, 4
95092700
 
#88

Chembo Pharma: KB-133827
ref: mol2, SDF, SMILES, flexibase
1.10,2.89,-39.32,2,4,1, 208.285, 4
95092699
 
#89

Chembo Pharma: KB-133827
ref: mol2, SDF, SMILES, flexibase
1.10,2.89,-39.32,2,4,1, 208.285, 4
95092698
 
#90

Chembo Pharma: KB-133826
ref: mol2, SDF, SMILES, flexibase
1.27,3.46,-41.29,2,3,1, 213.326, 4
95092697
 
#91

Chembo Pharma: KB-133825
ref: mol2, SDF, SMILES, flexibase
1.35,2.73,-42.59,2,3,1, 199.299, 4
95092696
 
#92

Chembo Pharma: KB-133825
ref: mol2, SDF, SMILES, flexibase
1.35,2.7,-42.61,2,3,1, 199.299, 4
95092695
 
#93

Chembo Pharma: KB-133824
ref: mol2, SDF, SMILES, flexibase
1.24,2.99,-38.52,2,3,1, 199.299, 4
95092694
 
#94

Chembo Pharma: KB-133824
ref: mol2, SDF, SMILES, flexibase
1.24,2.9,-38.44,2,3,1, 199.299, 4
95092693
 
#95

Chembo Pharma: KB-133811
ref: mol2, SDF, SMILES, flexibase
-0.48,1.96,-42.89,2,4,1, 194.258, 3
95092692
 
#96

Chembo Pharma: KB-133810
ref: mol2, SDF, SMILES, flexibase
0.15,2.74,-43.53,2,3,1, 199.299, 3
95092691
 
#97

Chembo Pharma: KB-133800
ref: mol2, SDF, SMILES, flexibase
2.76,4.61,-43.08,2,3,1, 249.359, 3
95092690
 
#98

Chembo Pharma: KB-133799
ref: mol2, SDF, SMILES, flexibase
2.84,3.89,-42.13,2,3,1, 235.332, 3
95092689
 
#99

Chembo Pharma: KB-133799
ref: mol2, SDF, SMILES, flexibase
2.84,3.87,-41.61,2,3,1, 235.332, 3
95092688
 
#100

Chembo Pharma: KB-133798
ref: mol2, SDF, SMILES, flexibase
2.76,4.58,-42.56,2,3,1, 249.359, 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 = 715 ) limit 0,100

Smiles were