UCSF banner
Search Results
Initial search took 1 second(s).
Beginning : #1 Hits: 100 Display:   per page=

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

Click for quick 3D display
52096521
 
#1

PubChem: 62374298
Yu Chen 3: ZINC52096278
Enamine BB Make on Demand: BBV-34254210
UORSY BB Make-on-demand: BBV-34254210
ref: mol2, SDF, SMILES, flexibase
-1.27,-1.38,-47.63,1,9,-1, 256.271, 4
lo: mol2, SDF, SMILES, flexibase
-1.27,-1.14,-21.97,2,9,0, 257.279, 4
52096520
 
#2

PubChem: 62374298
Yu Chen 3: ZINC52096278
Enamine BB Make on Demand: BBV-34254210
UORSY BB Make-on-demand: BBV-34254210
ref: mol2, SDF, SMILES, flexibase
-1.27,-1.22,-45.41,1,9,-1, 256.271, 4
lo: mol2, SDF, SMILES, flexibase
-1.27,-0.98,-22.18,2,9,0, 257.279, 4
69948405
 
#3

PubChem: 64156692
Yu Chen 3: ZINC69948188
Enamine BB Make on Demand: BBV-38472056
UORSY BB Make-on-demand: BBV-38472056
ref: mol2, SDF, SMILES, flexibase
-1.34,-3.07,-42.43,2,9,-1, 242.244, 4
lo: mol2, SDF, SMILES, flexibase
-1.34,-3.09,-18.03,3,9,0, 243.252, 4
69948403
 
#4

PubChem: 64156692
Yu Chen 3: ZINC69948188
Enamine BB Make on Demand: BBV-38472056
UORSY BB Make-on-demand: BBV-38472056
ref: mol2, SDF, SMILES, flexibase
-1.34,-2.91,-39.53,2,9,-1, 242.244, 4
lo: mol2, SDF, SMILES, flexibase
-1.34,-2.93,-17.74,3,9,0, 243.252, 4
44930533
 
#5

PubChem: 61855584
Yu Chen 3: ZINC71551348
Enamine BB Make on Demand: BBV-33565511
UORSY BB Make-on-demand: BBV-33565511
ref: mol2, SDF, SMILES, flexibase
0.61,0.41,-44.94,1,7,-1, 284.296, 5
lo: mol2, SDF, SMILES, flexibase
0.61,0.63,-20.75,2,7,0, 285.304, 5
44930532
 
#6

PubChem: 61855584
Yu Chen 3: ZINC71551348
Enamine BB Make on Demand: BBV-33565511
UORSY BB Make-on-demand: BBV-33565511
ref: mol2, SDF, SMILES, flexibase
0.61,0.47,-37.41,1,7,-1, 284.296, 5
lo: mol2, SDF, SMILES, flexibase
0.61,0.71,-18.84,2,7,0, 285.304, 5
44930430
 
#7

PubChem: 61855781
Yu Chen 3: ZINC57529401
Enamine BB Make on Demand: BBV-33565466
UORSY BB Make-on-demand: BBV-33565466
ref: mol2, SDF, SMILES, flexibase
0.65,1.12,-44.03,1,7,-1, 280.333, 6
lo: mol2, SDF, SMILES, flexibase
0.65,1.35,-18.05,2,7,0, 281.341, 6
44930429
 
#8

PubChem: 61855781
Yu Chen 3: ZINC57529401
Enamine BB Make on Demand: BBV-33565466
UORSY BB Make-on-demand: BBV-33565466
ref: mol2, SDF, SMILES, flexibase
0.65,1.18,-38.07,1,7,-1, 280.333, 6
lo: mol2, SDF, SMILES, flexibase
0.65,1.42,-16.7,2,7,0, 281.341, 6
63143550
 
#9

PubChem: 63243184
Yu Chen 3: ZINC63142951
UORSY BB Make-on-demand: BBV-37158221
ref: mol2, SDF, SMILES, flexibase
-1.75,-5.12,-51.79,1,9,-1, 282.327, 6
lo: mol2, SDF, SMILES, flexibase
-1.75,-5.13,-21.2,2,9,0, 283.335, 6
63143545
 
#10

PubChem: 63243184
Yu Chen 3: ZINC63142951
UORSY BB Make-on-demand: BBV-37158221
ref: mol2, SDF, SMILES, flexibase
-1.75,-5.06,-48.71,1,9,-1, 282.327, 6
lo: mol2, SDF, SMILES, flexibase
-1.75,-5.07,-20.19,2,9,0, 283.335, 6
63156432
 
#11

PubChem: 63247475
Yu Chen 3: ZINC63155849
UORSY BB Make-on-demand: BBV-37162206
ref: mol2, SDF, SMILES, flexibase
-0.78,-2.06,-47.79,1,8,-1, 260.299, 5
lo: mol2, SDF, SMILES, flexibase
-0.78,-2.07,-17.1,2,8,0, 261.307, 5
63156431
 
#12

PubChem: 63247475
Yu Chen 3: ZINC63155849
UORSY BB Make-on-demand: BBV-37162206
ref: mol2, SDF, SMILES, flexibase
-0.78,-1.98,-40,1,8,-1, 260.299, 5
lo: mol2, SDF, SMILES, flexibase
-0.78,-1.99,-14.9,2,8,0, 261.307, 5
63156430
 
#13

PubChem: 63247475
Yu Chen 3: ZINC63155849
UORSY BB Make-on-demand: BBV-37162206
ref: mol2, SDF, SMILES, flexibase
-0.78,-2.18,-48.04,1,8,-1, 260.299, 5
lo: mol2, SDF, SMILES, flexibase
-0.78,-2.19,-16.64,2,8,0, 261.307, 5
63156428
 
#14

PubChem: 63247475
Yu Chen 3: ZINC63155849
UORSY BB Make-on-demand: BBV-37162206
ref: mol2, SDF, SMILES, flexibase
-0.78,-2.11,-39.18,1,8,-1, 260.299, 5
lo: mol2, SDF, SMILES, flexibase
-0.78,-2.12,-14.03,2,8,0, 261.307, 5
70712576
 
#15

PubChem: 64478630
Yu Chen 3: ZINC70712153
Enamine BB Make on Demand: BBV-38834586
UORSY BB Make-on-demand: BBV-38834586
ref: mol2, SDF, SMILES, flexibase
-0.03,-1.17,-43.87,1,7,-1, 232.289, 5
lo: mol2, SDF, SMILES, flexibase
-0.03,-1.18,-13.32,2,7,0, 233.297, 5
70712575
 
#16

PubChem: 64478630
Yu Chen 3: ZINC70712153
Enamine BB Make on Demand: BBV-38834586
UORSY BB Make-on-demand: BBV-38834586
ref: mol2, SDF, SMILES, flexibase
-0.03,-1.09,-36.59,1,7,-1, 232.289, 5
lo: mol2, SDF, SMILES, flexibase
-0.03,-1.1,-11.22,2,7,0, 233.297, 5
70712574
 
#17

PubChem: 64478629
Yu Chen 3: ZINC70712155
Enamine BB Make on Demand: BBV-38834585
UORSY BB Make-on-demand: BBV-38834585
ref: mol2, SDF, SMILES, flexibase
0.55,-0.49,-43.72,1,7,-1, 246.316, 5
lo: mol2, SDF, SMILES, flexibase
0.55,-0.5,-12.94,2,7,0, 247.324, 5
70712573
 
#18

PubChem: 64478629
Yu Chen 3: ZINC70712155
Enamine BB Make on Demand: BBV-38834585
UORSY BB Make-on-demand: BBV-38834585
ref: mol2, SDF, SMILES, flexibase
0.55,-0.43,-36.36,1,7,-1, 246.316, 5
lo: mol2, SDF, SMILES, flexibase
0.55,-0.44,-10.81,2,7,0, 247.324, 5
70909798
 
#19

PubChem: 64553491
Yu Chen 3: ZINC70908524
Enamine BB Make on Demand: BBV-38856084
UORSY BB Make-on-demand: BBV-38856084
ref: mol2, SDF, SMILES, flexibase
-0.79,-1.85,-43.84,1,7,-1, 216.246, 4
lo: mol2, SDF, SMILES, flexibase
-0.79,-1.86,-12.9,2,7,0, 217.254, 4
70909794
 
#20

PubChem: 64553491
Yu Chen 3: ZINC70908524
Enamine BB Make on Demand: BBV-38856084
UORSY BB Make-on-demand: BBV-38856084
ref: mol2, SDF, SMILES, flexibase
-0.79,-1.74,-37.42,1,7,-1, 216.246, 4
lo: mol2, SDF, SMILES, flexibase
-0.79,-1.74,-10.97,2,7,0, 217.254, 4
44888869
 
#21

PubChem: 61851893
Yu Chen 3: ZINC63152676
Enamine BB Make on Demand: BBV-33562308
UORSY BB Make-on-demand: BBV-33562308
ref: mol2, SDF, SMILES, flexibase
0.46,2.17,-37.11,2,5,0, 209.278, 4
mid: mol2, SDF, SMILES, flexibase
0.46,1,-38.51,1,5,-1, 208.27, 4
44888868
 
#22

PubChem: 61851893
Yu Chen 3: ZINC63152676
Enamine BB Make on Demand: BBV-33562308
UORSY BB Make-on-demand: BBV-33562308
ref: mol2, SDF, SMILES, flexibase
0.46,2.17,-37.19,2,5,0, 209.278, 4
mid: mol2, SDF, SMILES, flexibase
0.46,0.89,-36.83,1,5,-1, 208.27, 4
44925521
 
#23

PubChem: 61853072
Yu Chen 3: ZINC70904638
Enamine BB Make on Demand: BBV-33562919
UORSY BB Make-on-demand: BBV-33562919
ref: mol2, SDF, SMILES, flexibase
-0.44,-0.34,-41.03,1,7,-1, 206.233, 4
mid: mol2, SDF, SMILES, flexibase
-0.44,0.83,-42.36,2,7,0, 207.241, 4
44925519
 
#24

PubChem: 61853072
Yu Chen 3: ZINC70904638
Enamine BB Make on Demand: BBV-33562919
UORSY BB Make-on-demand: BBV-33562919
ref: mol2, SDF, SMILES, flexibase
-0.44,-0.45,-38.51,1,7,-1, 206.233, 4
mid: mol2, SDF, SMILES, flexibase
-0.44,0.82,-42.21,2,7,0, 207.241, 4
44887961
 
#25

PubChem: 61852080
Yu Chen 3: ZINC52061504
Enamine BB Make on Demand: BBV-33562083
UORSY BB Make-on-demand: BBV-33562083
ref: mol2, SDF, SMILES, flexibase
2.03,5.39,-37.79,2,5,0, 253.309, 4
hi: mol2, SDF, SMILES, flexibase
2.03,4.19,-41.63,1,5,-1, 252.301, 4
lo: mol2, SDF, SMILES, flexibase
2.03,5.39,-43.35,3,5,1, 254.317, 4
44887959
 
#26

PubChem: 61852080
Yu Chen 3: ZINC52061504
Enamine BB Make on Demand: BBV-33562083
UORSY BB Make-on-demand: BBV-33562083
ref: mol2, SDF, SMILES, flexibase
2.03,5.39,-37.58,2,5,0, 253.309, 4
hi: mol2, SDF, SMILES, flexibase
2.03,4.09,-38.74,1,5,-1, 252.301, 4
lo: mol2, SDF, SMILES, flexibase
2.03,5.39,-43.38,3,5,1, 254.317, 4
44924142
 
#27

PubChem: 61852673
Yu Chen 3: ZINC52926272
Enamine BB Make on Demand: BBV-33562607
UORSY BB Make-on-demand: BBV-33562607
ref: mol2, SDF, SMILES, flexibase
0.81,3.96,-48.44,2,8,0, 248.246, 5
hi: mol2, SDF, SMILES, flexibase
0.81,2.8,-44.66,1,8,-1, 247.238, 5
44924139
 
#28

PubChem: 61852673
Yu Chen 3: ZINC52926272
Enamine BB Make on Demand: BBV-33562607
UORSY BB Make-on-demand: BBV-33562607
ref: mol2, SDF, SMILES, flexibase
0.81,3.96,-47.93,2,8,0, 248.246, 5
hi: mol2, SDF, SMILES, flexibase
0.81,2.69,-39.12,1,8,-1, 247.238, 5
44888293
 
#29

PubChem: 61853229
Yu Chen 3: ZINC53155976
Enamine BB Make on Demand: BBV-33562147
UORSY BB Make-on-demand: BBV-33562147
ref: mol2, SDF, SMILES, flexibase
1.53,3.76,-39.31,2,5,0, 237.694, 4
hi: mol2, SDF, SMILES, flexibase
1.53,2.59,-39.5,1,5,-1, 236.686, 4

Similar to: 44926172, 44926174,
44888291
 
#30

PubChem: 61853229
Yu Chen 3: ZINC53155976
Enamine BB Make on Demand: BBV-33562147
UORSY BB Make-on-demand: BBV-33562147
ref: mol2, SDF, SMILES, flexibase
1.53,3.76,-39.08,2,5,0, 237.694, 4
hi: mol2, SDF, SMILES, flexibase
1.53,2.48,-36.23,1,5,-1, 236.686, 4

Similar to: 44926172, 44926174,
44924320
 
#31

PubChem: 61851740
Yu Chen 3: ZINC70600050
Enamine BB Make on Demand: BBV-33562637
UORSY BB Make-on-demand: BBV-33562637
ref: mol2, SDF, SMILES, flexibase
1.57,1.83,-37.01,1,5,-1, 242.715, 4
mid: mol2, SDF, SMILES, flexibase
1.57,2.98,-39.02,2,5,0, 243.723, 4
44924318
 
#32

PubChem: 61851740
Yu Chen 3: ZINC70600050
Enamine BB Make on Demand: BBV-33562637
UORSY BB Make-on-demand: BBV-33562637
ref: mol2, SDF, SMILES, flexibase
1.57,1.72,-36.1,1,5,-1, 242.715, 4
mid: mol2, SDF, SMILES, flexibase
1.57,2.99,-39.28,2,5,0, 243.723, 4
44888037
 
#33

PubChem: 61853228
Yu Chen 3: ZINC71024861
Enamine BB Make on Demand: BBV-33562101
UORSY BB Make-on-demand: BBV-33562101
ref: mol2, SDF, SMILES, flexibase
0.91,1.9,-36.76,2,7,0, 263.301, 6
hi: mol2, SDF, SMILES, flexibase
0.91,0.71,-43.27,1,7,-1, 262.293, 6
lo: mol2, SDF, SMILES, flexibase
0.91,2.14,-48.43,3,7,1, 264.309, 6
44888035
 
#34

PubChem: 61853228
Yu Chen 3: ZINC71024861
Enamine BB Make on Demand: BBV-33562101
UORSY BB Make-on-demand: BBV-33562101
ref: mol2, SDF, SMILES, flexibase
0.91,1.89,-36.41,2,7,0, 263.301, 6
hi: mol2, SDF, SMILES, flexibase
0.91,0.6,-39.73,1,7,-1, 262.293, 6
lo: mol2, SDF, SMILES, flexibase
0.91,2.16,-49.34,3,7,1, 264.309, 6
44888920
 
#35

PubChem: 61850958
Yu Chen 3: ZINC61626744
Enamine BB Make on Demand: BBV-33562331
UORSY BB Make-on-demand: BBV-33562331
ref: mol2, SDF, SMILES, flexibase
1.77,4.25,-42.49,2,5,0, 271.246, 5
hi: mol2, SDF, SMILES, flexibase
1.77,3.08,-38.16,1,5,-1, 270.238, 5
44888919
 
#36

PubChem: 61850958
Yu Chen 3: ZINC61626744
Enamine BB Make on Demand: BBV-33562331
UORSY BB Make-on-demand: BBV-33562331
ref: mol2, SDF, SMILES, flexibase
1.77,4.25,-42.5,2,5,0, 271.246, 5
hi: mol2, SDF, SMILES, flexibase
1.77,2.98,-36.13,1,5,-1, 270.238, 5
44924694
 
#37

PubChem: 61851190
Yu Chen 3: ZINC70600194
Enamine BB Make on Demand: BBV-33562722
UORSY BB Make-on-demand: BBV-33562722
ref: mol2, SDF, SMILES, flexibase
1.51,1.82,-38.35,1,5,-1, 287.166, 4
mid: mol2, SDF, SMILES, flexibase
1.51,2.97,-38.37,2,5,0, 288.174, 4
44924692
 
#38

PubChem: 61851190
Yu Chen 3: ZINC70600194
Enamine BB Make on Demand: BBV-33562722
UORSY BB Make-on-demand: BBV-33562722
ref: mol2, SDF, SMILES, flexibase
1.51,1.71,-36.08,1,5,-1, 287.166, 4
mid: mol2, SDF, SMILES, flexibase
1.51,2.98,-38.34,2,5,0, 288.174, 4
51924273
 
#39

PubChem: 62351019
Yu Chen 3: ZINC70853154
Enamine BB Make on Demand: BBV-33920873
UORSY BB Make-on-demand: BBV-33920873
ref: mol2, SDF, SMILES, flexibase
-0.97,0.92,-47.3,2,7,0, 207.241, 4
mid: mol2, SDF, SMILES, flexibase
-0.97,2.09,-85.38,3,7,1, 208.249, 4
mid: mol2, SDF, SMILES, flexibase
-0.97,1.62,-39.12,2,7,0, 207.241, 4
hi: mol2, SDF, SMILES, flexibase
-0.97,0.47,-40.85,1,7,-1, 206.233, 4
51924271
 
#40

PubChem: 62351019
Yu Chen 3: ZINC70853154
Enamine BB Make on Demand: BBV-33920873
UORSY BB Make-on-demand: BBV-33920873
ref: mol2, SDF, SMILES, flexibase
-0.97,0.81,-44.9,2,7,0, 207.241, 4
mid: mol2, SDF, SMILES, flexibase
-0.97,2.09,-85.29,3,7,1, 208.249, 4
mid: mol2, SDF, SMILES, flexibase
-0.97,1.62,-39.69,2,7,0, 207.241, 4
hi: mol2, SDF, SMILES, flexibase
-0.97,0.36,-42.41,1,7,-1, 206.233, 4
44924519
 
#41

PubChem: 61851369
Yu Chen 3: ZINC69001193
Enamine BB Make on Demand: BBV-33562689
UORSY BB Make-on-demand: BBV-33562689
ref: mol2, SDF, SMILES, flexibase
0.27,2.24,-38.63,2,5,0, 201.299, 6
hi: mol2, SDF, SMILES, flexibase
0.27,1.08,-39.12,1,5,-1, 200.291, 6
44924517
 
#42

PubChem: 61851369
Yu Chen 3: ZINC69001193
Enamine BB Make on Demand: BBV-33562689
UORSY BB Make-on-demand: BBV-33562689
ref: mol2, SDF, SMILES, flexibase
0.27,2.24,-38.65,2,5,0, 201.299, 6
hi: mol2, SDF, SMILES, flexibase
0.27,0.97,-37.19,1,5,-1, 200.291, 6
44926182
 
#43

PubChem: 61853284
Yu Chen 3: ZINC51631346
Enamine BB Make on Demand: BBV-33563089
UORSY BB Make-on-demand: BBV-33563089
ref: mol2, SDF, SMILES, flexibase
1.78,3.76,-39.76,1,5,-1, 242.306, 3
lo: mol2, SDF, SMILES, flexibase
1.78,3.76,-6.24,2,5,0, 243.314, 3
lo: mol2, SDF, SMILES, flexibase
1.78,4.76,-35.53,2,5,0, 243.314, 3
44926180
 
#44

PubChem: 61853284
Yu Chen 3: ZINC51631346
Enamine BB Make on Demand: BBV-33563089
UORSY BB Make-on-demand: BBV-33563089
ref: mol2, SDF, SMILES, flexibase
1.78,3.78,-37.51,1,5,-1, 242.306, 3
lo: mol2, SDF, SMILES, flexibase
1.78,3.79,-5.21,2,5,0, 243.314, 3
lo: mol2, SDF, SMILES, flexibase
1.78,4.54,-39.37,2,5,0, 243.314, 3
44926178
 
#45

PubChem: 61853284
Yu Chen 3: ZINC51631346
Enamine BB Make on Demand: BBV-33563089
UORSY BB Make-on-demand: BBV-33563089
ref: mol2, SDF, SMILES, flexibase
1.78,3.73,-41.59,1,5,-1, 242.306, 3
lo: mol2, SDF, SMILES, flexibase
1.78,3.73,-6.96,2,5,0, 243.314, 3
lo: mol2, SDF, SMILES, flexibase
1.78,4.54,-39.39,2,5,0, 243.314, 3
44926176
 
#46

PubChem: 61853284
Yu Chen 3: ZINC51631346
Enamine BB Make on Demand: BBV-33563089
UORSY BB Make-on-demand: BBV-33563089
ref: mol2, SDF, SMILES, flexibase
1.78,3.68,-37.35,1,5,-1, 242.306, 3
lo: mol2, SDF, SMILES, flexibase
1.78,3.68,-5.56,2,5,0, 243.314, 3
lo: mol2, SDF, SMILES, flexibase
1.78,4.76,-35.54,2,5,0, 243.314, 3
44923453
 
#47

PubChem: 61853039
Yu Chen 3: ZINC51986888
Enamine BB Make on Demand: BBV-33562484
UORSY BB Make-on-demand: BBV-33562484
ref: mol2, SDF, SMILES, flexibase
0.29,2.35,-35.14,2,6,0, 245.286, 3
hi: mol2, SDF, SMILES, flexibase
0.29,2.15,-40.77,1,6,-1, 244.278, 3
lo: mol2, SDF, SMILES, flexibase
0.29,2.35,-40.28,3,6,1, 246.294, 3
44923451
 
#48

PubChem: 61853039
Yu Chen 3: ZINC51986888
Enamine BB Make on Demand: BBV-33562484
UORSY BB Make-on-demand: BBV-33562484
ref: mol2, SDF, SMILES, flexibase
0.29,3.02,-34.98,2,6,0, 245.286, 3
hi: mol2, SDF, SMILES, flexibase
0.29,2.11,-37.39,1,6,-1, 244.278, 3
lo: mol2, SDF, SMILES, flexibase
0.29,3.01,-41.01,3,6,1, 246.294, 3
44923449
 
#49

PubChem: 61853039
Yu Chen 3: ZINC51986888
Enamine BB Make on Demand: BBV-33562484
UORSY BB Make-on-demand: BBV-33562484
ref: mol2, SDF, SMILES, flexibase
0.29,3,-34.79,2,6,0, 245.286, 3
hi: mol2, SDF, SMILES, flexibase
0.29,1.98,-40.1,1,6,-1, 244.278, 3
lo: mol2, SDF, SMILES, flexibase
0.29,3,-40.97,3,6,1, 246.294, 3
44923447
 
#50

PubChem: 61853039
Yu Chen 3: ZINC51986888
Enamine BB Make on Demand: BBV-33562484
UORSY BB Make-on-demand: BBV-33562484
ref: mol2, SDF, SMILES, flexibase
0.29,2.38,-35.24,2,6,0, 245.286, 3
hi: mol2, SDF, SMILES, flexibase
0.29,1.83,-38.79,1,6,-1, 244.278, 3
lo: mol2, SDF, SMILES, flexibase
0.29,2.37,-40.3,3,6,1, 246.294, 3
61329177
 
#51

PubChem: 62842674
Yu Chen 3: ZINC61362068
Enamine BB Make on Demand: BBV-36577459
UORSY BB Make-on-demand: BBV-36577459
ref: mol2, SDF, SMILES, flexibase
0.56,3.34,-33.42,2,5,0, 249.343, 3
hi: mol2, SDF, SMILES, flexibase
0.56,2.91,-41.4,1,5,-1, 248.335, 3
61329175
 
#52

PubChem: 62842674
Yu Chen 3: ZINC61362068
Enamine BB Make on Demand: BBV-36577459
UORSY BB Make-on-demand: BBV-36577459
ref: mol2, SDF, SMILES, flexibase
0.56,3.95,-33.08,2,5,0, 249.343, 3
hi: mol2, SDF, SMILES, flexibase
0.56,2.92,-36.97,1,5,-1, 248.335, 3
61329173
 
#53

PubChem: 62842674
Yu Chen 3: ZINC61362068
Enamine BB Make on Demand: BBV-36577459
UORSY BB Make-on-demand: BBV-36577459
ref: mol2, SDF, SMILES, flexibase
0.56,3.93,-32.99,2,5,0, 249.343, 3
hi: mol2, SDF, SMILES, flexibase
0.56,2.95,-39.43,1,5,-1, 248.335, 3
61329170
 
#54

PubChem: 62842674
Yu Chen 3: ZINC61362068
Enamine BB Make on Demand: BBV-36577459
UORSY BB Make-on-demand: BBV-36577459
ref: mol2, SDF, SMILES, flexibase
0.56,3.32,-33.47,2,5,0, 249.343, 3
hi: mol2, SDF, SMILES, flexibase
0.56,2.77,-38.7,1,5,-1, 248.335, 3
44924750
 
#55

PubChem: 61851926
Yu Chen 3: ZINC81557165
Enamine BB Make on Demand: BBV-33562734
UORSY BB Make-on-demand: BBV-33562734
ref: mol2, SDF, SMILES, flexibase
1.29,5.02,-48.02,2,6,0, 286.383, 5
mid: mol2, SDF, SMILES, flexibase
1.29,5.79,-87.75,3,6,1, 287.391, 5
lo: mol2, SDF, SMILES, flexibase
1.29,5.02,-36.66,3,6,1, 287.391, 5
lo: mol2, SDF, SMILES, flexibase
1.29,5.78,-112.18,4,6,2, 288.399, 5
44924748
 
#56

PubChem: 61851926
Yu Chen 3: ZINC81557165
Enamine BB Make on Demand: BBV-33562734
UORSY BB Make-on-demand: BBV-33562734
ref: mol2, SDF, SMILES, flexibase
1.29,4.95,-53.32,2,6,0, 286.383, 5
mid: mol2, SDF, SMILES, flexibase
1.29,6.03,-93.77,3,6,1, 287.391, 5
lo: mol2, SDF, SMILES, flexibase
1.29,6.03,-115.51,4,6,2, 288.399, 5
lo: mol2, SDF, SMILES, flexibase
1.29,4.95,-39.08,3,6,1, 287.391, 5
44924746
 
#57

PubChem: 61851926
Yu Chen 3: ZINC81557165
Enamine BB Make on Demand: BBV-33562734
UORSY BB Make-on-demand: BBV-33562734
ref: mol2, SDF, SMILES, flexibase
1.29,5.02,-57.16,2,6,0, 286.383, 5
mid: mol2, SDF, SMILES, flexibase
1.29,6.03,-93.77,3,6,1, 287.391, 5
lo: mol2, SDF, SMILES, flexibase
1.29,6.03,-115.5,4,6,2, 288.399, 5
lo: mol2, SDF, SMILES, flexibase
1.29,5.02,-41.29,3,6,1, 287.391, 5
44924744
 
#58

PubChem: 61851926
Yu Chen 3: ZINC81557165
Enamine BB Make on Demand: BBV-33562734
UORSY BB Make-on-demand: BBV-33562734
ref: mol2, SDF, SMILES, flexibase
1.29,5.04,-44.77,2,6,0, 286.383, 5
mid: mol2, SDF, SMILES, flexibase
1.29,5.78,-87.77,3,6,1, 287.391, 5
lo: mol2, SDF, SMILES, flexibase
1.29,5.05,-36.22,3,6,1, 287.391, 5
lo: mol2, SDF, SMILES, flexibase
1.29,5.78,-112.26,4,6,2, 288.399, 5
68940261
 
#59

PubChem: 63924611
Yu Chen 3: ZINC68941570
Enamine BB Make on Demand: BBV-38122089
UORSY BB Make-on-demand: BBV-38122089
ref: mol2, SDF, SMILES, flexibase
-0.74,-1.58,-56.14,2,7,0, 245.308, 3
mid: mol2, SDF, SMILES, flexibase
-0.74,-2.37,-53.76,1,7,-1, 244.3, 3
68940258
 
#60

PubChem: 63924611
Yu Chen 3: ZINC68941570
Enamine BB Make on Demand: BBV-38122089
UORSY BB Make-on-demand: BBV-38122089
ref: mol2, SDF, SMILES, flexibase
-0.74,-1.33,-46.58,2,7,0, 245.308, 3
mid: mol2, SDF, SMILES, flexibase
-0.74,-2.42,-42.33,1,7,-1, 244.3, 3
68940255
 
#61

PubChem: 63924611
Yu Chen 3: ZINC68941570
Enamine BB Make on Demand: BBV-38122089
UORSY BB Make-on-demand: BBV-38122089
ref: mol2, SDF, SMILES, flexibase
-0.74,-1.33,-46.55,2,7,0, 245.308, 3
mid: mol2, SDF, SMILES, flexibase
-0.74,-2.32,-43.79,1,7,-1, 244.3, 3
68940254
 
#62

PubChem: 63924611
Yu Chen 3: ZINC68941570
Enamine BB Make on Demand: BBV-38122089
UORSY BB Make-on-demand: BBV-38122089
ref: mol2, SDF, SMILES, flexibase
-0.74,-1.59,-56.18,2,7,0, 245.308, 3
mid: mol2, SDF, SMILES, flexibase
-0.74,-2.3,-48.25,1,7,-1, 244.3, 3
70014074
 
#63

PubChem: 64173209
Yu Chen 3: ZINC71012942
Enamine BB Make on Demand: BBV-38479835
UORSY BB Make-on-demand: BBV-38479835
ref: mol2, SDF, SMILES, flexibase
-0.15,0.27,-33.82,2,6,0, 197.242, 3
hi: mol2, SDF, SMILES, flexibase
-0.15,-0.74,-38.11,1,6,-1, 196.234, 3
70014070
 
#64

PubChem: 64173209
Yu Chen 3: ZINC71012942
Enamine BB Make on Demand: BBV-38479835
UORSY BB Make-on-demand: BBV-38479835
ref: mol2, SDF, SMILES, flexibase
-0.15,0.01,-40.16,2,6,0, 197.242, 3
hi: mol2, SDF, SMILES, flexibase
-0.15,-0.73,-37.51,1,6,-1, 196.234, 3
70014063
 
#65

PubChem: 64173209
Yu Chen 3: ZINC71012942
Enamine BB Make on Demand: BBV-38479835
UORSY BB Make-on-demand: BBV-38479835
ref: mol2, SDF, SMILES, flexibase
-0.15,0.02,-40.17,2,6,0, 197.242, 3
hi: mol2, SDF, SMILES, flexibase
-0.15,-0.76,-42.02,1,6,-1, 196.234, 3
70014056
 
#66

PubChem: 64173209
Yu Chen 3: ZINC71012942
Enamine BB Make on Demand: BBV-38479835
UORSY BB Make-on-demand: BBV-38479835
ref: mol2, SDF, SMILES, flexibase
-0.15,0.27,-33.83,2,6,0, 197.242, 3
hi: mol2, SDF, SMILES, flexibase
-0.15,-0.82,-36.04,1,6,-1, 196.234, 3
44926880
 
#67

PubChem: 61853822
Yu Chen 3: ZINC52209343
Enamine BB Make on Demand: BBV-33563221
UORSY BB Make-on-demand: BBV-33563221
ref: mol2, SDF, SMILES, flexibase
0.13,1.51,-33.05,2,5,0, 167.216, 3
lo: mol2, SDF, SMILES, flexibase
0.13,1.52,-34.84,3,5,1, 168.224, 3
44926878
 
#68

PubChem: 61853822
Yu Chen 3: ZINC52209343
Enamine BB Make on Demand: BBV-33563221
UORSY BB Make-on-demand: BBV-33563221
ref: mol2, SDF, SMILES, flexibase
0.13,1.51,-33.05,2,5,0, 167.216, 3
lo: mol2, SDF, SMILES, flexibase
0.13,1.51,-34.86,3,5,1, 168.224, 3
70623157
 
#69

PubChem: 64416980
Yu Chen 3: ZINC70623420
Enamine BB Make on Demand: BBV-38794110
UORSY BB Make-on-demand: BBV-38794110
ref: mol2, SDF, SMILES, flexibase
1.56,3.5,-33.09,2,5,0, 223.324, 3
lo: mol2, SDF, SMILES, flexibase
1.56,3.52,-37.14,3,5,1, 224.332, 3
70623156
 
#70

PubChem: 64416980
Yu Chen 3: ZINC70623420
Enamine BB Make on Demand: BBV-38794110
UORSY BB Make-on-demand: BBV-38794110
ref: mol2, SDF, SMILES, flexibase
1.56,3.27,-37.06,2,5,0, 223.324, 3
lo: mol2, SDF, SMILES, flexibase
1.56,3.27,-37.96,3,5,1, 224.332, 3
83143229
 
#71

PubChem: 64991021
Yu Chen 3: ZINC70634429
Enamine BB Make on Demand: BBV-40048199
UORSY BB Make-on-demand: BBV-40048199
ref: mol2, SDF, SMILES, flexibase
0.09,-0.15,-42.7,1,6,-1, 223.285, 4
mid: mol2, SDF, SMILES, flexibase
0.09,0.89,-34.65,2,6,0, 224.293, 4
83143226
 
#72

PubChem: 64991021
Yu Chen 3: ZINC70634429
Enamine BB Make on Demand: BBV-40048199
UORSY BB Make-on-demand: BBV-40048199
ref: mol2, SDF, SMILES, flexibase
0.09,-0.13,-38.16,1,6,-1, 223.285, 4
mid: mol2, SDF, SMILES, flexibase
0.09,0.63,-30.84,2,6,0, 224.293, 4
83143224
 
#73

PubChem: 64991021
Yu Chen 3: ZINC70634429
Enamine BB Make on Demand: BBV-40048199
UORSY BB Make-on-demand: BBV-40048199
ref: mol2, SDF, SMILES, flexibase
0.09,-0.14,-41.61,1,6,-1, 223.285, 4
mid: mol2, SDF, SMILES, flexibase
0.09,0.64,-30.95,2,6,0, 224.293, 4
83143217
 
#74

PubChem: 64991021
Yu Chen 3: ZINC70634429
Enamine BB Make on Demand: BBV-40048199
UORSY BB Make-on-demand: BBV-40048199
ref: mol2, SDF, SMILES, flexibase
0.09,-0.22,-40.63,1,6,-1, 223.285, 4
mid: mol2, SDF, SMILES, flexibase
0.09,0.89,-34.66,2,6,0, 224.293, 4
50344951
 
#75

PubChem: 62091071
Yu Chen 3: ZINC61362608
Enamine BB Make on Demand: BBV-33816251
UORSY BB Make-on-demand: BBV-33816251
ref: mol2, SDF, SMILES, flexibase
1.02,2.78,-33.89,2,5,0, 223.305, 4
mid: mol2, SDF, SMILES, flexibase
1.02,1.76,-36.62,1,5,-1, 222.297, 4
50344948
 
#76

PubChem: 62091071
Yu Chen 3: ZINC61362608
Enamine BB Make on Demand: BBV-33816251
UORSY BB Make-on-demand: BBV-33816251
ref: mol2, SDF, SMILES, flexibase
1.02,2.56,-37.3,2,5,0, 223.305, 4
mid: mol2, SDF, SMILES, flexibase
1.02,1.66,-37.53,1,5,-1, 222.297, 4
50344946
 
#77

PubChem: 62091071
Yu Chen 3: ZINC61362608
Enamine BB Make on Demand: BBV-33816251
UORSY BB Make-on-demand: BBV-33816251
ref: mol2, SDF, SMILES, flexibase
1.02,2.55,-37.11,2,5,0, 223.305, 4
mid: mol2, SDF, SMILES, flexibase
1.02,1.9,-39.49,1,5,-1, 222.297, 4
50344944
 
#78

PubChem: 62091071
Yu Chen 3: ZINC61362608
Enamine BB Make on Demand: BBV-33816251
UORSY BB Make-on-demand: BBV-33816251
ref: mol2, SDF, SMILES, flexibase
1.02,2.78,-33.92,2,5,0, 223.305, 4
mid: mol2, SDF, SMILES, flexibase
1.02,1.8,-38.14,1,5,-1, 222.297, 4
44926084
 
#79

PubChem: 61852306
Yu Chen 3: ZINC52336649
Enamine BB Make on Demand: BBV-33563074
UORSY BB Make-on-demand: BBV-33563074
ref: mol2, SDF, SMILES, flexibase
2.09,3.8,-33.12,2,5,0, 223.324, 4
lo: mol2, SDF, SMILES, flexibase
2.09,3.82,-36.58,3,5,1, 224.332, 4
44926082
 
#80

PubChem: 61852306
Yu Chen 3: ZINC52336649
Enamine BB Make on Demand: BBV-33563074
UORSY BB Make-on-demand: BBV-33563074
ref: mol2, SDF, SMILES, flexibase
2.09,3.59,-35.09,2,5,0, 223.324, 4
lo: mol2, SDF, SMILES, flexibase
2.09,3.59,-36.88,3,5,1, 224.332, 4
44926080
 
#81

PubChem: 61852306
Yu Chen 3: ZINC52336649
Enamine BB Make on Demand: BBV-33563074
UORSY BB Make-on-demand: BBV-33563074
ref: mol2, SDF, SMILES, flexibase
2.09,3.71,-36.46,2,5,0, 223.324, 4
lo: mol2, SDF, SMILES, flexibase
2.09,3.71,-36.92,3,5,1, 224.332, 4
44926078
 
#82

PubChem: 61852306
Yu Chen 3: ZINC52336649
Enamine BB Make on Demand: BBV-33563074
UORSY BB Make-on-demand: BBV-33563074
ref: mol2, SDF, SMILES, flexibase
2.09,3.86,-33.08,2,5,0, 223.324, 4
lo: mol2, SDF, SMILES, flexibase
2.09,3.87,-36.55,3,5,1, 224.332, 4
54081381
 
#83

PubChem: 62634113
Yu Chen 3: ZINC69805128
Enamine BB Make on Demand: BBV-34555950
UORSY BB Make-on-demand: BBV-34555950
ref: mol2, SDF, SMILES, flexibase
1.59,3.26,-32.38,2,5,0, 209.297, 4
lo: mol2, SDF, SMILES, flexibase
1.59,3.27,-35.76,3,5,1, 210.305, 4
54081379
 
#84

PubChem: 62634113
Yu Chen 3: ZINC69805128
Enamine BB Make on Demand: BBV-34555950
UORSY BB Make-on-demand: BBV-34555950
ref: mol2, SDF, SMILES, flexibase
1.59,3.03,-36.54,2,5,0, 209.297, 4
lo: mol2, SDF, SMILES, flexibase
1.59,3.03,-36.5,3,5,1, 210.305, 4
54081377
 
#85

PubChem: 62634113
Yu Chen 3: ZINC69805128
Enamine BB Make on Demand: BBV-34555950
UORSY BB Make-on-demand: BBV-34555950
ref: mol2, SDF, SMILES, flexibase
1.59,2.94,-34.84,2,5,0, 209.297, 4
lo: mol2, SDF, SMILES, flexibase
1.59,2.94,-36.38,3,5,1, 210.305, 4
54081375
 
#86

PubChem: 62634113
Yu Chen 3: ZINC69805128
Enamine BB Make on Demand: BBV-34555950
UORSY BB Make-on-demand: BBV-34555950
ref: mol2, SDF, SMILES, flexibase
1.59,3.3,-32.6,2,5,0, 209.297, 4
lo: mol2, SDF, SMILES, flexibase
1.59,3.32,-35.96,3,5,1, 210.305, 4
62358414
 
#87

PubChem: 63023041
Yu Chen 3: ZINC62357233
Enamine BB Make on Demand: BBV-36842393, BBV-37839759
UORSY BB Make-on-demand: BBV-36842393
ref: mol2, SDF, SMILES, flexibase
-0.32,-1.13,-42.2,1,7,-1, 223.241, 3
lo: mol2, SDF, SMILES, flexibase
-0.32,-1.14,-10.28,2,7,0, 224.249, 3
62358411
 
#88

PubChem: 63023041
Yu Chen 3: ZINC62357233
Enamine BB Make on Demand: BBV-36842393, BBV-37839759
UORSY BB Make-on-demand: BBV-36842393
ref: mol2, SDF, SMILES, flexibase
-0.32,-1.15,-42.19,1,7,-1, 223.241, 3
lo: mol2, SDF, SMILES, flexibase
-0.32,-1.15,-10.26,2,7,0, 224.249, 3
70392770
 
#89

PubChem: 64131795
Yu Chen 3: ZINC70379834
Enamine BB Make on Demand: BBV-38626296
UORSY BB Make-on-demand: BBV-38626296
ref: mol2, SDF, SMILES, flexibase
0.76,2.28,-39.97,1,7,-1, 256.245, 3
lo: mol2, SDF, SMILES, flexibase
0.76,2.28,-11.86,2,7,0, 257.253, 3
70392769
 
#90

PubChem: 64131795
Yu Chen 3: ZINC70379834
Enamine BB Make on Demand: BBV-38626296
UORSY BB Make-on-demand: BBV-38626296
ref: mol2, SDF, SMILES, flexibase
0.76,2.29,-39.98,1,7,-1, 256.245, 3
lo: mol2, SDF, SMILES, flexibase
0.76,2.28,-11.89,2,7,0, 257.253, 3
44344963
 
#91

PubChem: 60930296
Yu Chen 3: ZINC71496973
Enamine BB Make on Demand: BBV-33467908
UORSY BB Make-on-demand: BBV-33467908
ref: mol2, SDF, SMILES, flexibase
-0.96,-1.62,-39.17,1,8,-1, 218.2, 3
lo: mol2, SDF, SMILES, flexibase
-0.96,-1.37,-11.46,2,8,0, 219.208, 3
44344959
 
#92

PubChem: 60930296
Yu Chen 3: ZINC71496973
Enamine BB Make on Demand: BBV-33467908
UORSY BB Make-on-demand: BBV-33467908
ref: mol2, SDF, SMILES, flexibase
-0.96,-1.62,-39.22,1,8,-1, 218.2, 3
lo: mol2, SDF, SMILES, flexibase
-0.96,-1.37,-11.44,2,8,0, 219.208, 3
44925511
 
#93

PubChem: 61852899
Yu Chen 3: ZINC60393614
Enamine BB Make on Demand: BBV-33562916
UORSY BB Make-on-demand: BBV-33562916
ref: mol2, SDF, SMILES, flexibase
-0.80,-0.31,-35.82,1,8,-1, 220.216, 3
lo: mol2, SDF, SMILES, flexibase
-0.80,-0.05,-10.99,2,8,0, 221.224, 3
44925509
 
#94

PubChem: 61852899
Yu Chen 3: ZINC60393614
Enamine BB Make on Demand: BBV-33562916
UORSY BB Make-on-demand: BBV-33562916
ref: mol2, SDF, SMILES, flexibase
-0.80,-0.3,-35.54,1,8,-1, 220.216, 3
lo: mol2, SDF, SMILES, flexibase
-0.80,-0.05,-10.92,2,8,0, 221.224, 3
44342900
 
#95

PubChem: 60912258
Yu Chen 3: ZINC60393622
Enamine BB Make on Demand: BBV-33467678
UORSY BB Make-on-demand: BBV-33467678
ref: mol2, SDF, SMILES, flexibase
-0.38,-0.08,-40.88,1,8,-1, 247.238, 4
lo: mol2, SDF, SMILES, flexibase
-0.38,0.17,-13.57,2,8,0, 248.246, 4
44342895
 
#96

PubChem: 60912258
Yu Chen 3: ZINC60393622
Enamine BB Make on Demand: BBV-33467678
UORSY BB Make-on-demand: BBV-33467678
ref: mol2, SDF, SMILES, flexibase
-0.38,-0.08,-40.91,1,8,-1, 247.238, 4
lo: mol2, SDF, SMILES, flexibase
-0.38,0.17,-13.62,2,8,0, 248.246, 4
44343979
 
#97

PubChem: 60910629
Yu Chen 3: ZINC59896248
Enamine BB Make on Demand: BBV-33467782
UORSY BB Make-on-demand: BBV-33467782
ref: mol2, SDF, SMILES, flexibase
0.46,2.76,-46.67,1,7,-1, 267.272, 3
lo: mol2, SDF, SMILES, flexibase
0.46,3.01,-15.89,2,7,0, 268.28, 3
44343974
 
#98

PubChem: 60910629
Yu Chen 3: ZINC59896248
Enamine BB Make on Demand: BBV-33467782
UORSY BB Make-on-demand: BBV-33467782
ref: mol2, SDF, SMILES, flexibase
0.46,2.76,-46.68,1,7,-1, 267.272, 3
lo: mol2, SDF, SMILES, flexibase
0.46,3.01,-15.94,2,7,0, 268.28, 3
44923278
 
#99

PubChem: 61852283
Yu Chen 3: ZINC60393624
Enamine BB Make on Demand: BBV-33562438
UORSY BB Make-on-demand: BBV-33562438
ref: mol2, SDF, SMILES, flexibase
0.77,2.31,-38.44,1,7,-1, 267.272, 3
lo: mol2, SDF, SMILES, flexibase
0.77,2.56,-12.56,2,7,0, 268.28, 3
44923276
 
#100

PubChem: 61852283
Yu Chen 3: ZINC60393624
Enamine BB Make on Demand: BBV-33562438
UORSY BB Make-on-demand: BBV-33562438
ref: mol2, SDF, SMILES, flexibase
0.77,2.31,-38.32,1,7,-1, 267.272, 3
lo: mol2, SDF, SMILES, flexibase
0.77,2.56,-12.47,2,7,0, 268.28, 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 = 729 ) limit 0,100

Smiles were