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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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72322768
 
#1

ProVence: CHX0304162
Individual Suppliers: UNNAMED00000741
ref: mol2, SDF, SMILES, flexibase
2.17,9.13,-12.05,0,7,0, 425.92, 3
lo: mol2, SDF, SMILES, flexibase
2.17,9.54,-39.19,1,7,1, 426.928, 3
72322769
 
#2

ProVence: CHX0304170
Individual Suppliers: UNNAMED00000749
ref: mol2, SDF, SMILES, flexibase
1.30,4.67,-12.62,1,6,0, 302.378, 4
lo: mol2, SDF, SMILES, flexibase
1.30,5.11,-44.48,2,6,1, 303.386, 4
72322770
 
#3

ProVence: CHX0304178
Individual Suppliers: UNNAMED00000757
ref: mol2, SDF, SMILES, flexibase
2.11,7.7,-16.28,0,6,0, 348.406, 2
lo: mol2, SDF, SMILES, flexibase
2.11,8.12,-49.27,1,6,1, 349.414, 2
72322771
 
#4

ProVence: CHX0304218
Individual Suppliers: UNNAMED00000797
ref: mol2, SDF, SMILES, flexibase
2.02,6.26,-16.11,1,7,0, 380.448, 6
lo: mol2, SDF, SMILES, flexibase
2.02,6.7,-49.44,2,7,1, 381.456, 6
72322772
 
#5

ProVence: CHX0304234
Individual Suppliers: UNNAMED00000880
ref: mol2, SDF, SMILES, flexibase
4.02,13.35,-21.26,1,7,0, 424.46, 7
72322773
 
#6

ProVence: CHX0304155
Individual Suppliers: UNNAMED00000734
ref: mol2, SDF, SMILES, flexibase
-0.15,1.61,-20.45,3,7,0, 314.345, 3
lo: mol2, SDF, SMILES, flexibase
-0.15,2.05,-48.33,4,7,1, 315.353, 3
72322774
 
#7

ProVence: CHX0304163
Individual Suppliers: UNNAMED00000742
ref: mol2, SDF, SMILES, flexibase
2.20,8.51,-14.2,0,7,0, 425.92, 3
lo: mol2, SDF, SMILES, flexibase
2.20,8.97,-43.18,1,7,1, 426.928, 3
72322775
 
#8

ProVence: CHX0304171
Individual Suppliers: UNNAMED00000750
ref: mol2, SDF, SMILES, flexibase
0.81,3.95,-13.52,1,7,0, 332.404, 7
lo: mol2, SDF, SMILES, flexibase
0.81,4.38,-45.45,2,7,1, 333.412, 7
72322776
 
#9

ProVence: CHX0304179
Individual Suppliers: UNNAMED00000758
ref: mol2, SDF, SMILES, flexibase
2.63,8.16,-14.3,0,6,0, 362.433, 2
lo: mol2, SDF, SMILES, flexibase
2.63,8.62,-46.77,1,6,1, 363.441, 2
72322777
 
#10

ProVence: CHX0304211
Individual Suppliers: UNNAMED00000790
ref: mol2, SDF, SMILES, flexibase
3.11,9.3,-70.23,2,7,0, 408.526, 6
mid: mol2, SDF, SMILES, flexibase
3.11,9.24,-14.54,1,7,0, 407.518, 6
lo: mol2, SDF, SMILES, flexibase
3.11,9.72,-66.98,3,7,0, 409.534, 6
72322778
 
#11

ProVence: CHX0304219
Individual Suppliers: UNNAMED00000798
ref: mol2, SDF, SMILES, flexibase
0.55,3.99,-13.49,1,6,0, 286.335, 3
lo: mol2, SDF, SMILES, flexibase
0.55,4.48,-44.32,2,6,1, 287.343, 3
72322779
 
#12

ProVence: CHX0304227
Individual Suppliers: UNNAMED00000809
ref: mol2, SDF, SMILES, flexibase
1.45,9.19,-13.28,0,6,0, 359.433, 3
mid: mol2, SDF, SMILES, flexibase
1.45,11.55,-47.3,1,6,1, 360.441, 3
72322780
 
#13

ProVence: CHX0304235
Individual Suppliers: 333916722, UNNAMED00000901
ref: mol2, SDF, SMILES, flexibase
0.82,8.61,-19.08,0,9,0, 452.54, 5
72322781
 
#14

ProVence: CHX0304180
Individual Suppliers: UNNAMED00000759
ref: mol2, SDF, SMILES, flexibase
2.28,6.98,-13.39,1,6,0, 336.395, 3
lo: mol2, SDF, SMILES, flexibase
2.28,7.4,-46.96,2,6,1, 337.403, 3
72322782
 
#15

ProVence: CHX0304228
Individual Suppliers: UNNAMED00000810
ref: mol2, SDF, SMILES, flexibase
1.82,9.98,-13.01,0,6,0, 373.46, 4
mid: mol2, SDF, SMILES, flexibase
1.82,12.2,-45.93,1,6,1, 374.468, 4
72322783
 
#16

ProVence: CHX0304236
Individual Suppliers: UNNAMED00000909
ref: mol2, SDF, SMILES, flexibase
4.03,12.88,-22.99,1,6,0, 409.474, 4
72322784
 
#17

ProVence: CHX0304181
Individual Suppliers: UNNAMED00000760
ref: mol2, SDF, SMILES, flexibase
2.30,6.76,-13.35,1,6,0, 336.395, 3
lo: mol2, SDF, SMILES, flexibase
2.30,7.2,-46.42,2,6,1, 337.403, 3
72322785
 
#18

ProVence: CHX0304229
Individual Suppliers: UNNAMED00000820
ref: mol2, SDF, SMILES, flexibase
2.94,13.73,-16.27,0,5,0, 392.462, 3
72322786
 
#19

ProVence: CHX0304237
Individual Suppliers: UNNAMED00000911
ref: mol2, SDF, SMILES, flexibase
4.44,13.09,-21.89,1,7,0, 453.527, 6
72322787
 
#20

ProVence: CHX0304158
Individual Suppliers: UNNAMED00000737
ref: mol2, SDF, SMILES, flexibase
0.36,5.05,-14.55,0,6,0, 300.362, 2
lo: mol2, SDF, SMILES, flexibase
0.36,5.48,-38.08,1,6,1, 301.37, 2
72322788
 
#21

ProVence: CHX0304166
Individual Suppliers: UNNAMED00000745
ref: mol2, SDF, SMILES, flexibase
1.55,7.83,-13.24,0,8,0, 421.501, 4
lo: mol2, SDF, SMILES, flexibase
1.55,8.29,-39.93,1,8,1, 422.509, 4
72322789
 
#22

ProVence: CHX0304174
Individual Suppliers: UNNAMED00000753
ref: mol2, SDF, SMILES, flexibase
2.59,6.27,-13.63,1,6,0, 342.443, 3
lo: mol2, SDF, SMILES, flexibase
2.59,6.73,-44.98,2,6,1, 343.451, 3
72322790
 
#23

ProVence: CHX0304214
Individual Suppliers: UNNAMED00000793
ref: mol2, SDF, SMILES, flexibase
2.17,7.2,-18.7,1,7,0, 383.477, 3
lo: mol2, SDF, SMILES, flexibase
2.17,7.64,-51.36,2,7,1, 384.485, 3
72322791
 
#24

ProVence: CHX0304230
Individual Suppliers: UNNAMED00000833
ref: mol2, SDF, SMILES, flexibase
1.81,10.18,-52.09,2,6,1, 348.43, 6
hi: mol2, SDF, SMILES, flexibase
1.81,7.7,-16.99,1,6,0, 347.422, 6
72322792
 
#25

ProVence: CHX0304238
Individual Suppliers: UNNAMED00000916
ref: mol2, SDF, SMILES, flexibase
3.41,11.93,-18.04,1,5,0, 402.404, 5
72322793
 
#26

ProVence: CHX0304159
Individual Suppliers: UNNAMED00000738
ref: mol2, SDF, SMILES, flexibase
1.10,6.57,-12.66,0,6,0, 328.416, 2
lo: mol2, SDF, SMILES, flexibase
1.10,7.03,-38.37,1,6,1, 329.424, 2
72322794
 
#27

ProVence: CHX0304167
Individual Suppliers: UNNAMED00000746
ref: mol2, SDF, SMILES, flexibase
-0.59,5.4,-18.33,0,7,0, 313.361, 4
lo: mol2, SDF, SMILES, flexibase
-0.59,5.81,-47.02,1,7,1, 314.369, 4
72322795
 
#28

ProVence: CHX0304175
Individual Suppliers: UNNAMED00000754
ref: mol2, SDF, SMILES, flexibase
1.74,6.22,-13.74,1,6,0, 354.385, 4
lo: mol2, SDF, SMILES, flexibase
1.74,6.7,-45.62,2,6,1, 355.393, 4
72322796
 
#29

ProVence: CHX0304215
Individual Suppliers: UNNAMED00000794
ref: mol2, SDF, SMILES, flexibase
2.09,8.16,-19.03,1,7,0, 389.459, 5
lo: mol2, SDF, SMILES, flexibase
2.09,8.6,-54.29,2,7,1, 390.467, 5
72322797
 
#30

ProVence: CHX0304231
Individual Suppliers: UNNAMED00000836
ref: mol2, SDF, SMILES, flexibase
2.83,12.33,-50.79,2,6,1, 390.511, 9
72322798
 
#31

ProVence: CHX0304239
Individual Suppliers: UNNAMED00000917
ref: mol2, SDF, SMILES, flexibase
3.82,12,-14.71,1,5,0, 406.367, 4
72322799
 
#32

ProVence: CHX0304168
Individual Suppliers: UNNAMED00000747
ref: mol2, SDF, SMILES, flexibase
1.06,3.92,-12.98,1,6,0, 288.351, 4
lo: mol2, SDF, SMILES, flexibase
1.06,4.36,-44.57,2,6,1, 289.359, 4
72322800
 
#33

ProVence: CHX0304224
Individual Suppliers: UNNAMED00000803
ref: mol2, SDF, SMILES, flexibase
2.13,6.98,-18.08,2,7,0, 389.459, 5
lo: mol2, SDF, SMILES, flexibase
2.13,7.42,-50.78,3,7,1, 390.467, 5
72322801
 
#34

ProVence: CHX0304232
Individual Suppliers: UNNAMED00000869
ref: mol2, SDF, SMILES, flexibase
3.59,11.88,-15.49,1,5,0, 370.387, 4
72322802
 
#35

ProVence: CHX0304161
Individual Suppliers: UNNAMED00000740
ref: mol2, SDF, SMILES, flexibase
1.24,7.16,-13.37,0,7,0, 405.502, 4
lo: mol2, SDF, SMILES, flexibase
1.24,9.81,-101.28,2,7,2, 407.518, 4
lo: mol2, SDF, SMILES, flexibase
1.24,9.36,-52.82,1,7,1, 406.51, 4
lo: mol2, SDF, SMILES, flexibase
1.24,7.54,-40.64,1,7,1, 406.51, 4
72322803
 
#36

ProVence: CHX0304169
Individual Suppliers: UNNAMED00000748
ref: mol2, SDF, SMILES, flexibase
1.62,4.69,-13.34,1,6,0, 302.378, 5
lo: mol2, SDF, SMILES, flexibase
1.62,5.12,-44.93,2,6,1, 303.386, 5
72322804
 
#37

ProVence: CHX0304177
Individual Suppliers: UNNAMED00000756
ref: mol2, SDF, SMILES, flexibase
1.48,5.27,-12.75,1,6,0, 342.424, 4
lo: mol2, SDF, SMILES, flexibase
1.48,5.74,-42.64,2,6,1, 343.432, 4
72322805
 
#38

ProVence: CHX0304217
Individual Suppliers: UNNAMED00000796
ref: mol2, SDF, SMILES, flexibase
2.83,7.5,-16.1,1,7,0, 393.472, 3
lo: mol2, SDF, SMILES, flexibase
2.83,7.96,-49.72,2,7,1, 394.48, 3
72322806
 
#39

ProVence: CHX0304225
Individual Suppliers: UNNAMED00000804
ref: mol2, SDF, SMILES, flexibase
3.31,12.96,-12.87,0,5,0, 360.461, 7
72322807
 
#40

ProVence: CHX0304233
Individual Suppliers: UNNAMED00000872
ref: mol2, SDF, SMILES, flexibase
4.13,12.29,-18.9,1,5,0, 386.842, 4
72322808
 
#41

ProVence: CHX0304241
Individual Suppliers: UNNAMED00000934
ref: mol2, SDF, SMILES, flexibase
2.23,8.87,-13.14,0,5,0, 315.417, 4
72322809
 
#42

ProVence: CHX0304241
ref: mol2, SDF, SMILES, flexibase
2.23,8.98,-13.05,0,5,0, 315.417, 4
72322810
 
#43

ProVence: CHX0304241
ref: mol2, SDF, SMILES, flexibase
2.23,9.02,-12.98,0,5,0, 315.417, 4
72322811
 
#44

ProVence: CHX0303962
Individual Suppliers: UNNAMED00000541
ref: mol2, SDF, SMILES, flexibase
2.07,9.68,-52.71,2,5,1, 323.42, 6
hi: mol2, SDF, SMILES, flexibase
2.07,7.2,-16.01,1,5,0, 322.412, 6
72322812
 
#45

ProVence: CHX0303978
Individual Suppliers: UNNAMED00000557
ref: mol2, SDF, SMILES, flexibase
2.21,9.6,-15.73,1,5,0, 342.402, 5
lo: mol2, SDF, SMILES, flexibase
2.21,10.07,-51.46,2,5,1, 343.41, 5
72322813
 
#46

ProVence: CHX0303986
Individual Suppliers: UNNAMED00000565
ref: mol2, SDF, SMILES, flexibase
3.99,10.7,-15.39,1,4,0, 321.424, 7
72322814
 
#47

ProVence: CHX0303994
Individual Suppliers: UNNAMED00000573
ref: mol2, SDF, SMILES, flexibase
3.88,11.35,-14.94,1,4,0, 345.377, 4
72322815
 
#48

ProVence: CHX0304012
Individual Suppliers: UNNAMED00000591
ref: mol2, SDF, SMILES, flexibase
4.28,11.99,-19.47,1,4,0, 359.404, 4
72322816
 
#49

ProVence: CHX0304052
Individual Suppliers: UNNAMED00000631
ref: mol2, SDF, SMILES, flexibase
1.25,4.95,-11.78,1,5,0, 271.32, 2
lo: mol2, SDF, SMILES, flexibase
1.25,5.39,-38.22,2,5,1, 272.328, 2
72322817
 
#50

ProVence: CHX0304053
Individual Suppliers: UNNAMED00000632
ref: mol2, SDF, SMILES, flexibase
1.58,5.29,-11.07,1,5,0, 285.347, 2
lo: mol2, SDF, SMILES, flexibase
1.58,5.73,-42.43,2,5,1, 286.355, 2
72322818
 
#51

ProVence: CHX0304053
ref: mol2, SDF, SMILES, flexibase
1.58,5.3,-10.61,1,5,0, 285.347, 2
lo: mol2, SDF, SMILES, flexibase
1.58,5.73,-40.96,2,5,1, 286.355, 2
72322819
 
#52

ProVence: CHX0304030
Individual Suppliers: UNNAMED00000609
ref: mol2, SDF, SMILES, flexibase
4.09,11.52,-13.28,1,4,0, 381.357, 4
72322820
 
#53

ProVence: CHX0304054
Individual Suppliers: UNNAMED00000633
ref: mol2, SDF, SMILES, flexibase
1.49,5.51,-11.43,1,5,0, 285.347, 2
lo: mol2, SDF, SMILES, flexibase
1.49,5.94,-38.36,2,5,1, 286.355, 2
72322821
 
#54

ProVence: CHX0303993
Individual Suppliers: UNNAMED00000572
ref: mol2, SDF, SMILES, flexibase
3.86,11.39,-13.93,1,4,0, 345.377, 4
72322822
 
#55

ProVence: CHX0304025
Individual Suppliers: UNNAMED00000604
ref: mol2, SDF, SMILES, flexibase
2.35,9.24,-15.54,1,6,0, 318.336, 4
72322823
 
#56

ProVence: CHX0304041
Individual Suppliers: UNNAMED00000620
ref: mol2, SDF, SMILES, flexibase
1.32,7.94,-21.37,2,6,0, 362.433, 4
72322824
 
#57

ProVence: CHX0304049
Individual Suppliers: UNNAMED00000628
ref: mol2, SDF, SMILES, flexibase
3.55,11.25,-13.18,1,5,0, 397.478, 7
lo: mol2, SDF, SMILES, flexibase
3.55,11.63,-42.13,2,5,1, 398.486, 7
72322825
 
#58

ProVence: CHX0304098
Individual Suppliers: UNNAMED00000677
ref: mol2, SDF, SMILES, flexibase
2.60,5.56,-12.36,2,5,0, 327.771, 4
lo: mol2, SDF, SMILES, flexibase
2.60,6,-42.08,3,5,1, 328.779, 4
72322826
 
#59

ProVence: CHX0304114
Individual Suppliers: UNNAMED00000693
ref: mol2, SDF, SMILES, flexibase
2.89,6.7,-13.17,2,5,0, 321.38, 6
lo: mol2, SDF, SMILES, flexibase
2.89,7.07,-45.34,3,5,1, 322.388, 6
72322827
 
#60

ProVence: CHX0304075
Individual Suppliers: UNNAMED00000654
ref: mol2, SDF, SMILES, flexibase
1.69,3.65,-11.88,2,5,0, 259.309, 4
lo: mol2, SDF, SMILES, flexibase
1.69,4.02,-44.14,3,5,1, 260.317, 4
72322828
 
#61

ProVence: CHX0304091
ref: mol2, SDF, SMILES, flexibase
3.14,6.26,-11.88,2,5,0, 327.428, 3
lo: mol2, SDF, SMILES, flexibase
3.14,6.7,-44.56,3,5,1, 328.436, 3
72322829
 
#62

ProVence: CHX0304091
Individual Suppliers: UNNAMED00000670
ref: mol2, SDF, SMILES, flexibase
3.14,7.17,-11.45,2,5,0, 327.428, 3
lo: mol2, SDF, SMILES, flexibase
3.14,7.61,-44.4,3,5,1, 328.436, 3
72322830
 
#63

ProVence: CHX0304091
ref: mol2, SDF, SMILES, flexibase
3.14,7.17,-11.41,2,5,0, 327.428, 3
lo: mol2, SDF, SMILES, flexibase
3.14,7.61,-44.4,3,5,1, 328.436, 3
72322831
 
#64

ProVence: CHX0304091
ref: mol2, SDF, SMILES, flexibase
3.14,6.26,-11.86,2,5,0, 327.428, 3
lo: mol2, SDF, SMILES, flexibase
3.14,6.7,-44.55,3,5,1, 328.436, 3
72322832
 
#65

ProVence: CHX0304107
Individual Suppliers: UNNAMED00000686
ref: mol2, SDF, SMILES, flexibase
0.80,3.24,-13.44,2,6,0, 294.314, 4
lo: mol2, SDF, SMILES, flexibase
0.80,3.71,-44.38,3,6,1, 295.322, 4
lo: mol2, SDF, SMILES, flexibase
0.80,3.74,-43.35,3,6,1, 295.322, 4
lo: mol2, SDF, SMILES, flexibase
0.80,4.15,-97.12,4,6,2, 296.33, 4
72322833
 
#66

ProVence: CHX0304115
Individual Suppliers: UNNAMED00000694
ref: mol2, SDF, SMILES, flexibase
3.22,7.59,-13.1,2,5,0, 335.407, 6
lo: mol2, SDF, SMILES, flexibase
3.22,8.03,-47.35,3,5,1, 336.415, 6
72322834
 
#67

ProVence: CHX0304115
ref: mol2, SDF, SMILES, flexibase
3.22,7.59,-13.09,2,5,0, 335.407, 6
lo: mol2, SDF, SMILES, flexibase
3.22,8.03,-47.37,3,5,1, 336.415, 6
72322835
 
#68

ProVence: CHX0304060
Individual Suppliers: UNNAMED00000639
ref: mol2, SDF, SMILES, flexibase
1.93,6.9,-12.56,1,6,0, 348.406, 3
lo: mol2, SDF, SMILES, flexibase
1.93,7.39,-41.37,2,6,1, 349.414, 3
72322836
 
#69

ProVence: CHX0304092
Individual Suppliers: UNNAMED00000671
ref: mol2, SDF, SMILES, flexibase
2.95,6.08,-12.35,2,5,0, 311.385, 5
lo: mol2, SDF, SMILES, flexibase
2.95,6.52,-45.25,3,5,1, 312.393, 5
72322837
 
#70

ProVence: CHX0304108
Individual Suppliers: UNNAMED00000687
ref: mol2, SDF, SMILES, flexibase
1.23,3.27,-12.43,2,6,0, 283.287, 4
lo: mol2, SDF, SMILES, flexibase
1.23,3.71,-43.34,3,6,1, 284.295, 4
72322838
 
#71

ProVence: CHX0304109
Individual Suppliers: UNNAMED00000688
ref: mol2, SDF, SMILES, flexibase
1.87,4.26,-11.54,2,5,0, 299.355, 4
lo: mol2, SDF, SMILES, flexibase
1.87,4.7,-42.58,3,5,1, 300.363, 4
72322839
 
#72

ProVence: CHX0304102
Individual Suppliers: UNNAMED00000681
ref: mol2, SDF, SMILES, flexibase
2.42,5.72,-11.43,2,5,0, 307.353, 4
lo: mol2, SDF, SMILES, flexibase
2.42,6.16,-42.48,3,5,1, 308.361, 4
72322840
 
#73

ProVence: CHX0304110
Individual Suppliers: UNNAMED00000689
ref: mol2, SDF, SMILES, flexibase
2.38,5.92,-13.86,2,5,0, 307.353, 5
lo: mol2, SDF, SMILES, flexibase
2.38,6.29,-47.56,3,5,1, 308.361, 5
72322841
 
#74

ProVence: CHX0304134
Individual Suppliers: UNNAMED00000713
ref: mol2, SDF, SMILES, flexibase
3.46,6.1,-12.62,2,5,0, 372.222, 3
lo: mol2, SDF, SMILES, flexibase
3.46,6.54,-48.22,3,5,1, 373.23, 3
72322842
 
#75

ProVence: CHX0304087
ref: mol2, SDF, SMILES, flexibase
2.23,7.27,-46.39,3,6,1, 345.467, 9
lo: mol2, SDF, SMILES, flexibase
2.23,7.75,-100.72,4,6,2, 346.475, 9
72322843
 
#76

ProVence: CHX0304087
Individual Suppliers: UNNAMED00000666
ref: mol2, SDF, SMILES, flexibase
2.23,7.25,-46.21,3,6,1, 345.467, 9
lo: mol2, SDF, SMILES, flexibase
2.23,7.73,-99.85,4,6,2, 346.475, 9
72322844
 
#77

ProVence: CHX0304103
Individual Suppliers: UNNAMED00000682
ref: mol2, SDF, SMILES, flexibase
1.86,3.75,-14.49,2,7,0, 337.335, 4
lo: mol2, SDF, SMILES, flexibase
1.86,4.25,-46.64,3,7,1, 338.343, 4
72322845
 
#78

ProVence: CHX0304111
Individual Suppliers: UNNAMED00000690
ref: mol2, SDF, SMILES, flexibase
2.38,5.21,-14.75,2,6,0, 337.379, 6
lo: mol2, SDF, SMILES, flexibase
2.38,5.71,-47.23,3,6,1, 338.387, 6
72322846
 
#79

ProVence: CHX0304072
Individual Suppliers: UNNAMED00000651
ref: mol2, SDF, SMILES, flexibase
1.45,2.84,-12.06,2,5,0, 245.282, 4
lo: mol2, SDF, SMILES, flexibase
1.45,3.24,-44.01,3,5,1, 246.29, 4
72322847
 
#80

ProVence: CHX0304088
Individual Suppliers: UNNAMED00000667
ref: mol2, SDF, SMILES, flexibase
0.72,1.39,-13.98,2,7,0, 330.388, 6
mid: mol2, SDF, SMILES, flexibase
0.72,3.66,-51.6,3,7,1, 331.396, 6
lo: mol2, SDF, SMILES, flexibase
0.72,4.04,-102.59,4,7,2, 332.404, 6
72322848
 
#81

ProVence: CHX0304104
Individual Suppliers: UNNAMED00000683
ref: mol2, SDF, SMILES, flexibase
2.53,5.89,-12.01,2,5,0, 307.353, 4
lo: mol2, SDF, SMILES, flexibase
2.53,6.33,-45,3,5,1, 308.361, 4
72322849
 
#82

ProVence: CHX0304104
ref: mol2, SDF, SMILES, flexibase
2.53,5.88,-12.03,2,5,0, 307.353, 4
lo: mol2, SDF, SMILES, flexibase
2.53,6.32,-44.98,3,5,1, 308.361, 4
72322850
 
#83

ProVence: CHX0304089
Individual Suppliers: UNNAMED00000668
ref: mol2, SDF, SMILES, flexibase
1.97,4.31,-12.12,2,5,0, 271.32, 3
lo: mol2, SDF, SMILES, flexibase
1.97,4.68,-44.45,3,5,1, 272.328, 3
72322851
 
#84

ProVence: CHX0304105
Individual Suppliers: UNNAMED00000684
ref: mol2, SDF, SMILES, flexibase
2.65,5.61,-11.82,2,5,0, 327.771, 4
lo: mol2, SDF, SMILES, flexibase
2.65,6.11,-44.56,3,5,1, 328.779, 4
72322852
 
#85

ProVence: CHX0304121
Individual Suppliers: UNNAMED00000700
ref: mol2, SDF, SMILES, flexibase
3.18,6.39,-12.8,2,5,0, 307.353, 4
lo: mol2, SDF, SMILES, flexibase
3.18,6.79,-46,3,5,1, 308.361, 4
72322853
 
#86

ProVence: CHX0304137
Individual Suppliers: UNNAMED00000716
ref: mol2, SDF, SMILES, flexibase
-0.02,3.56,-17.38,1,9,0, 385.424, 2
lo: mol2, SDF, SMILES, flexibase
-0.02,3.99,-46.98,2,9,1, 386.432, 2
72322854
 
#87

ProVence: CHX0304315
Individual Suppliers: UNNAMED00001055
ref: mol2, SDF, SMILES, flexibase
3.08,6.82,-12.93,2,5,0, 358.195, 3
72322855
 
#88

ProVence: CHX0304299
Individual Suppliers: UNNAMED00000992
ref: mol2, SDF, SMILES, flexibase
2.84,9.6,-16.89,0,7,0, 420.513, 6
mid: mol2, SDF, SMILES, flexibase
2.84,11.81,-60.71,1,7,1, 421.521, 6
72322856
 
#89

ProVence: CHX0304307
Individual Suppliers: UNNAMED00001006
ref: mol2, SDF, SMILES, flexibase
0.69,5.83,-14.33,1,8,0, 344.371, 4
72322857
 
#90

ProVence: CHX0304268
Individual Suppliers: UNNAMED00000961
ref: mol2, SDF, SMILES, flexibase
3.70,9.91,-12.85,1,4,0, 311.36, 5
72322858
 
#91

ProVence: CHX0304308
Individual Suppliers: UNNAMED00001015
ref: mol2, SDF, SMILES, flexibase
-0.20,5.57,-16.24,1,6,0, 270.292, 4
72322859
 
#92

ProVence: CHX0304317
Individual Suppliers: UNNAMED00001068
ref: mol2, SDF, SMILES, flexibase
2.81,6.93,-15.74,2,5,0, 311.316, 3
72322860
 
#93

ProVence: CHX0304309
Individual Suppliers: UNNAMED00001018
ref: mol2, SDF, SMILES, flexibase
1.25,4.15,-12.28,2,5,0, 245.282, 3
72322861
 
#94

ProVence: CHX0304318
Individual Suppliers: UNNAMED00001069
ref: mol2, SDF, SMILES, flexibase
2.70,6.31,-12.44,2,6,0, 323.352, 4
72322862
 
#95

ProVence: CHX0304254
Individual Suppliers: UNNAMED00000947
ref: mol2, SDF, SMILES, flexibase
3.96,10.43,-13.15,1,4,0, 341.842, 6
72322863
 
#96

ProVence: CHX0304310
Individual Suppliers: UNNAMED00001027
ref: mol2, SDF, SMILES, flexibase
2.95,7.34,-12.43,2,5,0, 311.385, 5
72322864
 
#97

ProVence: CHX0304295
Individual Suppliers: UNNAMED00000988
ref: mol2, SDF, SMILES, flexibase
3.32,9.21,-14.52,1,5,0, 337.423, 7
72322865
 
#98

ProVence: CHX0303799
Individual Suppliers: UNNAMED00000378
ref: mol2, SDF, SMILES, flexibase
1.68,7.46,-12.47,0,5,0, 314.433, 3
mid: mol2, SDF, SMILES, flexibase
1.68,9.68,-48.79,1,5,1, 315.441, 3
72322866
 
#99

ProVence: CHX0304256
Individual Suppliers: UNNAMED00000949
ref: mol2, SDF, SMILES, flexibase
2.12,8.07,-14.95,1,5,0, 308.385, 6
lo: mol2, SDF, SMILES, flexibase
2.12,8.47,-46.18,2,5,1, 309.393, 6
72322867
 
#100

ProVence: CHX0304264
Individual Suppliers: UNNAMED00000957
ref: mol2, SDF, SMILES, flexibase
3.58,9.81,-15.08,1,4,0, 293.37, 5

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 = 634 ) limit 0,100

Smiles were