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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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95864595
 
#1

The Broad via PubChem: BRD-K34941168-001-01-6
ref: mol2, SDF, SMILES, flexibase
2.06,4.1,-20.53,4,9,0, 483.352, 7
95864594
 
#2

The Broad via PubChem: BRD-K18680389-001-01-3
ref: mol2, SDF, SMILES, flexibase
3.29,5.29,-17.02,1,10,0, 567.73, 6
hi: mol2, SDF, SMILES, flexibase
3.29,5.69,-48.49,0,10,-1, 566.722, 6
95864593
 
#3

The Broad via PubChem: BRD-K66526025-001-01-9
ref: mol2, SDF, SMILES, flexibase
3.30,7.26,-44.91,3,8,1, 476.619, 4
mid: mol2, SDF, SMILES, flexibase
3.30,7.67,-62.54,2,8,0, 475.611, 4
hi: mol2, SDF, SMILES, flexibase
3.30,6.03,-51.39,1,8,-1, 474.603, 4
95864592
 
#4

The Broad via PubChem: BRD-K41777327-001-01-3
ref: mol2, SDF, SMILES, flexibase
2.83,11.33,-44.6,2,8,1, 495.644, 5
mid: mol2, SDF, SMILES, flexibase
2.83,8.67,-15.12,1,8,0, 494.636, 5
95864591
 
#5

The Broad via PubChem: BRD-K53207587-001-01-1
ref: mol2, SDF, SMILES, flexibase
2.67,9.59,-36.87,2,9,1, 482.605, 5
hi: mol2, SDF, SMILES, flexibase
2.67,7.34,-17.69,1,9,0, 481.597, 5
95864590
 
#6

The Broad via PubChem: BRD-K14425858-001-01-9
ref: mol2, SDF, SMILES, flexibase
3.49,7.3,-16.29,3,8,0, 490.604, 4
95864589
 
#7

The Broad via PubChem: BRD-K53421547-001-01-7
ref: mol2, SDF, SMILES, flexibase
3.49,7.61,-20.7,3,8,0, 490.604, 4
95864588
 
#8

The Broad via PubChem: BRD-K48976669-001-01-0
ref: mol2, SDF, SMILES, flexibase
4.69,11.28,-53.39,2,8,0, 537.682, 5
mid: mol2, SDF, SMILES, flexibase
4.69,11.19,-37.84,3,8,1, 538.69, 5
hi: mol2, SDF, SMILES, flexibase
4.69,9.27,-49.87,1,8,-1, 536.674, 5
95864587
 
#9

The Broad via PubChem: BRD-K26430886-001-01-1
ref: mol2, SDF, SMILES, flexibase
2.92,6.53,-15.19,3,8,0, 480.54, 3
95864586
 
#10

The Broad via PubChem: BRD-K83064740-001-01-4
ref: mol2, SDF, SMILES, flexibase
2.67,9.86,-37.7,2,9,1, 482.605, 5
hi: mol2, SDF, SMILES, flexibase
2.67,6.02,-11.24,1,9,0, 481.597, 5
95864585
 
#11

The Broad via PubChem: BRD-K20170246-001-01-4
ref: mol2, SDF, SMILES, flexibase
2.92,6.53,-15.28,3,8,0, 480.54, 3
95864584
 
#12

The Broad via PubChem: BRD-K29389796-001-01-5
ref: mol2, SDF, SMILES, flexibase
3.37,6.92,-50.71,3,7,1, 445.543, 5
mid: mol2, SDF, SMILES, flexibase
3.37,3.85,-13.19,2,7,0, 444.535, 5
lo: mol2, SDF, SMILES, flexibase
3.37,8.26,-127.66,4,7,2, 446.551, 5
95864583
 
#13

The Broad via PubChem: BRD-K63874400-001-01-1
ref: mol2, SDF, SMILES, flexibase
3.37,7.06,-50.45,3,7,1, 445.543, 5
mid: mol2, SDF, SMILES, flexibase
3.37,4.02,-13.88,2,7,0, 444.535, 5
lo: mol2, SDF, SMILES, flexibase
3.37,8.33,-125.2,4,7,2, 446.551, 5
95864582
 
#14

The Broad via PubChem: BRD-K95413876-001-01-5
ref: mol2, SDF, SMILES, flexibase
3.69,6.7,-20.81,2,6,0, 493.554, 7
95864581
 
#15

The Broad via PubChem: BRD-K50512595-001-01-7
ref: mol2, SDF, SMILES, flexibase
0.30,4.52,-65.52,2,9,1, 451.569, 5
hi: mol2, SDF, SMILES, flexibase
0.30,2.17,-23.26,1,9,0, 450.561, 5
95864580
 
#16

The Broad via PubChem: BRD-K63528134-001-01-6
ref: mol2, SDF, SMILES, flexibase
0.30,3.44,-54.15,2,9,1, 451.569, 5
hi: mol2, SDF, SMILES, flexibase
0.30,1.06,-19.96,1,9,0, 450.561, 5
95864579
 
#17

The Broad via PubChem: BRD-K63126086-001-01-7
ref: mol2, SDF, SMILES, flexibase
2.38,5.89,-15.34,1,7,0, 468.623, 5
lo: mol2, SDF, SMILES, flexibase
2.38,7.97,-50.7,2,7,1, 469.631, 5
95864578
 
#18

The Broad via PubChem: BRD-K57862562-001-01-8
ref: mol2, SDF, SMILES, flexibase
2.38,5.9,-15.73,1,7,0, 468.623, 5
lo: mol2, SDF, SMILES, flexibase
2.38,7.66,-53.02,2,7,1, 469.631, 5
95864577
 
#19

The Broad via PubChem: BRD-K58402878-001-01-1
ref: mol2, SDF, SMILES, flexibase
2.87,6.5,-14.1,3,8,0, 480.54, 3
95864576
 
#20

The Broad via PubChem: BRD-K65423479-001-01-1
ref: mol2, SDF, SMILES, flexibase
2.87,6.51,-18.48,3,8,0, 480.54, 3
95864575
 
#21

The Broad via PubChem: BRD-K24241462-001-01-6
ref: mol2, SDF, SMILES, flexibase
5.43,10.08,-46.55,3,11,1, 698.903, 11
hi: mol2, SDF, SMILES, flexibase
5.43,10.23,-70.83,2,11,0, 697.895, 11
95864574
 
#22

The Broad via PubChem: BRD-K76167789-001-01-6
ref: mol2, SDF, SMILES, flexibase
3.76,9.85,-46.06,2,7,1, 497.704, 6
mid: mol2, SDF, SMILES, flexibase
3.76,11.6,-99.15,3,7,2, 498.712, 6
hi: mol2, SDF, SMILES, flexibase
3.76,7.46,-14.21,1,7,0, 496.696, 6
95864573
 
#23

The Broad via PubChem: BRD-K35065907-001-01-9
ref: mol2, SDF, SMILES, flexibase
3.76,9.88,-44.13,2,7,1, 497.704, 6
mid: mol2, SDF, SMILES, flexibase
3.76,12.2,-105.3,3,7,2, 498.712, 6
hi: mol2, SDF, SMILES, flexibase
3.76,7.48,-12.61,1,7,0, 496.696, 6
95864572
 
#24

The Broad via PubChem: BRD-K47790814-001-01-0
ref: mol2, SDF, SMILES, flexibase
1.07,3.33,-15.77,2,7,0, 371.437, 3
95864571
 
#25

The Broad via PubChem: BRD-K36967470-001-01-2
ref: mol2, SDF, SMILES, flexibase
3.43,11.34,-25.3,1,8,0, 553.553, 5
95864570
 
#26

The Broad via PubChem: BRD-K60575948-001-01-6
ref: mol2, SDF, SMILES, flexibase
4.01,7.91,-17.11,2,7,0, 467.61, 7
95864569
 
#27

The Broad via PubChem: BRD-K58027156-001-01-9
ref: mol2, SDF, SMILES, flexibase
3.21,4.76,-18.15,3,7,0, 499.416, 8
95864568
 
#28

The Broad via PubChem: BRD-K56162335-001-01-0
ref: mol2, SDF, SMILES, flexibase
2.29,6.04,-46.45,2,8,0, 467.51, 5
hi: mol2, SDF, SMILES, flexibase
2.29,4.06,-41.11,1,8,-1, 466.502, 5
95864567
 
#29

The Broad via PubChem: BRD-K94718818-001-01-9
ref: mol2, SDF, SMILES, flexibase
1.37,4,-18.79,1,11,0, 494.57, 4
95864566
 
#30

The Broad via PubChem: BRD-K64276040-001-01-4
ref: mol2, SDF, SMILES, flexibase
3.82,13.25,-39.5,2,7,1, 480.629, 5
hi: mol2, SDF, SMILES, flexibase
3.82,8.96,-18.29,1,7,0, 479.621, 5
95864565
 
#31

The Broad via PubChem: BRD-K92089711-001-01-5
ref: mol2, SDF, SMILES, flexibase
2.16,7.39,-19.79,1,8,0, 467.566, 3
95864564
 
#32

The Broad via PubChem: BRD-K87829418-001-02-5
ref: mol2, SDF, SMILES, flexibase
3.25,5.93,-20.24,2,7,0, 475.57, 4
95864563
 
#33

The Broad via PubChem: BRD-K58984195-001-01-4
ref: mol2, SDF, SMILES, flexibase
2.67,9.54,-35.65,2,9,1, 482.605, 5
hi: mol2, SDF, SMILES, flexibase
2.67,6.85,-14.03,1,9,0, 481.597, 5
95864562
 
#34

The Broad via PubChem: BRD-K04343070-001-01-8
ref: mol2, SDF, SMILES, flexibase
4.72,12.96,-19.15,1,11,0, 620.728, 7
95864561
 
#35

The Broad via PubChem: BRD-K71488141-001-01-4
ref: mol2, SDF, SMILES, flexibase
5.69,10.19,-14.59,2,5,0, 437.559, 3
lo: mol2, SDF, SMILES, flexibase
5.69,10.75,-40.8,3,5,1, 438.567, 3
95864560
 
#36

The Broad via PubChem: BRD-K14965940-001-01-4
ref: mol2, SDF, SMILES, flexibase
4.16,10.27,-16.88,2,6,0, 443.547, 3
95864559
 
#37

The Broad via PubChem: BRD-K46202105-001-01-5
ref: mol2, SDF, SMILES, flexibase
4.87,9.3,-13.5,2,5,0, 393.531, 4
95864558
 
#38

The Broad via PubChem: BRD-K47281790-001-01-8
ref: mol2, SDF, SMILES, flexibase
4.42,8.79,-14.61,2,5,0, 393.462, 4
95864557
 
#39

The Broad via PubChem: BRD-K09987758-001-01-6
ref: mol2, SDF, SMILES, flexibase
4.44,8.36,-42.7,3,6,1, 428.597, 5
mid: mol2, SDF, SMILES, flexibase
4.44,5.55,-11.95,2,6,0, 427.589, 5
95864556
 
#40

The Broad via PubChem: BRD-K46668129-001-01-9
ref: mol2, SDF, SMILES, flexibase
1.24,3.69,-20.92,1,10,0, 439.49, 6
95864555
 
#41

The Broad via PubChem: BRD-K77338485-001-02-7
ref: mol2, SDF, SMILES, flexibase
4.25,8.37,-19.91,2,6,0, 453.579, 8
95864554
 
#42

The Broad via PubChem: BRD-K46574819-001-01-4
ref: mol2, SDF, SMILES, flexibase
2.65,7.23,-25.97,1,6,0, 405.498, 4
lo: mol2, SDF, SMILES, flexibase
2.65,7.69,-53.6,2,6,1, 406.506, 4
95864553
 
#43

The Broad via PubChem: BRD-K72751520-001-01-5
ref: mol2, SDF, SMILES, flexibase
5.13,8.72,-15.41,2,6,0, 435.568, 4
lo: mol2, SDF, SMILES, flexibase
5.13,9.28,-43.83,3,6,1, 436.576, 4
95864552
 
#44

The Broad via PubChem: BRD-K00231642-001-01-8
ref: mol2, SDF, SMILES, flexibase
2.65,6.83,-22.07,1,6,0, 405.498, 4
lo: mol2, SDF, SMILES, flexibase
2.65,7.29,-54.19,2,6,1, 406.506, 4
95864551
 
#45

The Broad via PubChem: BRD-K98060736-001-01-1
ref: mol2, SDF, SMILES, flexibase
1.75,3.05,-18.89,3,7,0, 452.479, 8
95864550
 
#46

The Broad via PubChem: BRD-K55328680-001-01-9
ref: mol2, SDF, SMILES, flexibase
0.23,1.95,-26.8,3,8,0, 424.501, 5
mid: mol2, SDF, SMILES, flexibase
0.23,3.22,-79.93,4,8,1, 425.509, 5
95864549
 
#47

The Broad via PubChem: BRD-K66884381-001-01-0
ref: mol2, SDF, SMILES, flexibase
4.05,11.09,-22.9,1,4,0, 402.469, 3
95864548
 
#48

The Broad via PubChem: BRD-K71748789-001-01-8
ref: mol2, SDF, SMILES, flexibase
2.38,7.45,-16.7,1,7,0, 430.508, 3
95864547
 
#49

The Broad via PubChem: BRD-K00412766-001-01-4
ref: mol2, SDF, SMILES, flexibase
5.16,9.76,-12.94,2,5,0, 409.574, 3
lo: mol2, SDF, SMILES, flexibase
5.16,10.47,-40.34,3,5,1, 410.582, 3
95864546
 
#50

The Broad via PubChem: BRD-K34625777-001-01-8
ref: mol2, SDF, SMILES, flexibase
1.27,4.96,-21.34,1,7,0, 360.41, 4
95864545
 
#51

The Broad via PubChem: BRD-K41453863-001-01-1
ref: mol2, SDF, SMILES, flexibase
3.88,4.73,-10.26,1,4,0, 396.453, 6
lo: mol2, SDF, SMILES, flexibase
3.88,7.58,-49.61,2,4,1, 397.461, 6
95864544
 
#52

The Broad via PubChem: BRD-K52010000-001-01-9
ref: mol2, SDF, SMILES, flexibase
2.31,3.91,-29.26,3,6,0, 393.487, 4
mid: mol2, SDF, SMILES, flexibase
2.31,5.05,-77.74,4,6,1, 394.495, 4
95864543
 
#53

The Broad via PubChem: BRD-K61490939-001-01-8
ref: mol2, SDF, SMILES, flexibase
1.92,5.74,-42.44,3,6,1, 381.537, 6
hi: mol2, SDF, SMILES, flexibase
1.92,4.17,-9.88,2,6,0, 380.529, 6
95864542
 
#54

The Broad via PubChem: BRD-K29915498-001-01-8
ref: mol2, SDF, SMILES, flexibase
2.76,9.54,-20.28,1,6,0, 443.547, 4
95864541
 
#55

The Broad via PubChem: BRD-K85202902-001-01-2
ref: mol2, SDF, SMILES, flexibase
0.23,2.02,-30.75,3,8,0, 424.501, 5
mid: mol2, SDF, SMILES, flexibase
0.23,3.21,-82.62,4,8,1, 425.509, 5
95864540
 
#56

The Broad via PubChem: BRD-K91347196-001-01-2
ref: mol2, SDF, SMILES, flexibase
4.55,8.49,-44.02,3,5,1, 384.544, 5
mid: mol2, SDF, SMILES, flexibase
4.55,4.97,-12.77,2,5,0, 383.536, 5
95864539
 
#57

The Broad via PubChem: BRD-K11904836-001-01-3
ref: mol2, SDF, SMILES, flexibase
4.69,9.52,-18.08,1,5,0, 434.561, 4
95864538
 
#58

The Broad via PubChem: BRD-K20672749-001-01-1
ref: mol2, SDF, SMILES, flexibase
0.94,2.98,-15.92,3,7,0, 374.437, 6
95864537
 
#59

The Broad via PubChem: BRD-K91940859-001-01-2
ref: mol2, SDF, SMILES, flexibase
2.14,8.22,-21.25,1,5,0, 387.414, 4
95864536
 
#60

The Broad via PubChem: BRD-K92997428-001-01-3
ref: mol2, SDF, SMILES, flexibase
2.62,8.09,-46.15,2,7,0, 430.526, 7
mid: mol2, SDF, SMILES, flexibase
2.62,5.08,-56.77,1,7,-1, 429.518, 7
95864535
 
#61

The Broad via PubChem: BRD-K74307669-001-02-3
ref: mol2, SDF, SMILES, flexibase
0.61,1.77,-50.34,5,6,1, 322.429, 4
hi: mol2, SDF, SMILES, flexibase
0.61,0.36,-7.31,4,6,0, 321.421, 4
lo: mol2, SDF, SMILES, flexibase
0.61,1.62,-106.77,6,6,2, 323.437, 4
95864534
 
#62

The Broad via PubChem: BRD-K57039974-001-01-5
ref: mol2, SDF, SMILES, flexibase
3.74,8.52,-46.32,2,4,1, 395.498, 5
hi: mol2, SDF, SMILES, flexibase
3.74,5.53,-11.8,1,4,0, 394.49, 5
95864533
 
#63

The Broad via PubChem: BRD-K94625232-001-01-4
ref: mol2, SDF, SMILES, flexibase
2.12,7.56,-18.44,1,6,0, 396.487, 4
95864532
 
#64

The Broad via PubChem: BRD-K79238275-001-01-3
ref: mol2, SDF, SMILES, flexibase
4.05,11.51,-20.24,1,4,0, 402.469, 3
95864531
 
#65

The Broad via PubChem: BRD-K79992234-001-01-5
ref: mol2, SDF, SMILES, flexibase
1.93,6.75,-24.84,1,6,0, 399.535, 5
mid: mol2, SDF, SMILES, flexibase
1.93,8.54,-56.44,2,6,1, 400.543, 5
95864530
 
#66

The Broad via PubChem: BRD-K81372145-001-01-4
ref: mol2, SDF, SMILES, flexibase
2.87,8.74,-12.93,1,4,0, 320.392, 4
95864529
 
#67

The Broad via PubChem: BRD-K85456347-001-01-7
ref: mol2, SDF, SMILES, flexibase
0.61,4.17,-24.48,1,8,0, 415.49, 3
95864528
 
#68

The Broad via PubChem: BRD-M03072836-001-01-7
ref: mol2, SDF, SMILES, flexibase
1.44,3.23,-19.17,3,6,0, 357.454, 4
95864527
 
#69

The Broad via PubChem: BRD-K28974598-001-01-5
ref: mol2, SDF, SMILES, flexibase
2.14,9.55,-37.86,2,5,1, 368.432, 5
hi: mol2, SDF, SMILES, flexibase
2.14,7.18,-12.82,1,5,0, 367.424, 5
95864526
 
#70

The Broad via PubChem: BRD-K59469130-001-01-3
ref: mol2, SDF, SMILES, flexibase
2.70,9.09,-19.66,1,6,0, 443.547, 4
lo: mol2, SDF, SMILES, flexibase
2.70,9.56,-47.72,2,6,1, 444.555, 4
95864525
 
#71

The Broad via PubChem: BRD-K14952348-001-01-0
ref: mol2, SDF, SMILES, flexibase
4.46,9.85,-45.74,2,4,1, 383.556, 5
mid: mol2, SDF, SMILES, flexibase
4.46,6.44,-11.52,1,4,0, 382.548, 5
95864524
 
#72

The Broad via PubChem: BRD-K86074546-001-01-6
ref: mol2, SDF, SMILES, flexibase
4.92,7.84,-17.79,2,5,0, 407.489, 4
95864523
 
#73

The Broad via PubChem: BRD-K04319534-001-01-8
ref: mol2, SDF, SMILES, flexibase
1.05,7.71,-17.92,1,8,0, 429.517, 4
95864522
 
#74

The Broad via PubChem: BRD-K69905841-001-02-2
ref: mol2, SDF, SMILES, flexibase
4.30,6.79,-11.23,2,4,0, 340.467, 3
95864521
 
#75

The Broad via PubChem: BRD-K48023761-001-01-8
ref: mol2, SDF, SMILES, flexibase
0.94,2.89,-18.82,3,7,0, 374.437, 6
95864520
 
#76

The Broad via PubChem: BRD-K87501138-001-01-1
ref: mol2, SDF, SMILES, flexibase
4.08,6.88,-20.97,1,5,0, 412.486, 5
95864519
 
#77

The Broad via PubChem: BRD-K23015002-001-01-2
ref: mol2, SDF, SMILES, flexibase
2.13,3.56,-26.7,3,7,0, 422.529, 5
mid: mol2, SDF, SMILES, flexibase
2.13,4.81,-79.23,4,7,1, 423.537, 5
95864518
 
#78

The Broad via PubChem: BRD-K67794838-001-01-9
ref: mol2, SDF, SMILES, flexibase
5.53,8.44,-13.53,2,5,0, 420.553, 4
95864517
 
#79

The Broad via PubChem: BRD-K93098118-001-01-4
ref: mol2, SDF, SMILES, flexibase
2.12,2.58,-13.58,2,6,0, 413.44, 6
mid: mol2, SDF, SMILES, flexibase
2.12,4.93,-57.5,3,6,1, 414.448, 6
95864516
 
#80

The Broad via PubChem: BRD-K46482181-001-01-0
ref: mol2, SDF, SMILES, flexibase
4.78,9.17,-11.77,2,5,0, 389.499, 4
95864515
 
#81

The Broad via PubChem: BRD-K88661225-001-01-6
ref: mol2, SDF, SMILES, flexibase
2.89,8.02,-16.02,1,6,0, 436.552, 3
95864514
 
#82

The Broad via PubChem: BRD-K94189637-001-01-2
ref: mol2, SDF, SMILES, flexibase
4.12,6.58,-13.14,2,5,0, 378.472, 4
95864513
 
#83

The Broad via PubChem: BRD-K59162992-001-01-1
ref: mol2, SDF, SMILES, flexibase
4.02,7.55,-10.29,1,4,0, 410.945, 5
mid: mol2, SDF, SMILES, flexibase
4.02,10.17,-52.59,2,4,1, 411.953, 5
95864512
 
#84

The Broad via PubChem: BRD-K76532289-001-01-6
ref: mol2, SDF, SMILES, flexibase
4.44,8.79,-13.75,2,5,0, 393.462, 4
95864511
 
#85

The Broad via PubChem: BRD-K87925427-001-01-2
ref: mol2, SDF, SMILES, flexibase
-0.55,-1.11,-16.84,3,7,0, 334.438, 8
95864510
 
#86

The Broad via PubChem: BRD-K76169373-001-01-4
ref: mol2, SDF, SMILES, flexibase
1.27,5.13,-18,1,7,0, 360.41, 4
95864509
 
#87

The Broad via PubChem: BRD-K84621357-001-01-4
ref: mol2, SDF, SMILES, flexibase
4.69,10.08,-29.84,1,5,0, 434.561, 4
95864508
 
#88

The Broad via PubChem: BRD-K02036588-001-01-5
ref: mol2, SDF, SMILES, flexibase
1.58,2.99,-14.9,3,10,0, 485.585, 5
lo: mol2, SDF, SMILES, flexibase
1.58,4.97,-52.32,4,10,1, 486.593, 5
95864507
 
#89

The Broad via PubChem: BRD-K28869750-001-01-1
ref: mol2, SDF, SMILES, flexibase
2.76,9.56,-17.95,2,8,0, 509.578, 6
95864506
 
#90

The Broad via PubChem: BRD-K05632697-001-01-6
ref: mol2, SDF, SMILES, flexibase
2.95,4.37,-20.01,2,9,0, 492.642, 6
95864505
 
#91

The Broad via PubChem: BRD-K27177706-001-01-5
ref: mol2, SDF, SMILES, flexibase
2.95,4.31,-19.74,2,9,0, 492.642, 6
95864504
 
#92

The Broad via PubChem: BRD-K50105482-001-01-6
ref: mol2, SDF, SMILES, flexibase
2.43,4.5,-21.91,1,6,0, 392.521, 5
95864503
 
#93

The Broad via PubChem: BRD-K64996763-001-01-2
ref: mol2, SDF, SMILES, flexibase
3.93,11.53,-24.3,1,5,0, 442.559, 4
95864502
 
#94

The Broad via PubChem: BRD-K76599750-001-01-5
ref: mol2, SDF, SMILES, flexibase
3.66,7.13,-19.26,2,7,0, 434.54, 4
lo: mol2, SDF, SMILES, flexibase
3.66,7.59,-46.62,3,7,1, 435.548, 4
95864501
 
#95

The Broad via PubChem: BRD-K79090079-019-01-8
ref: mol2, SDF, SMILES, flexibase
4.10,9.84,-44.8,2,3,1, 311.449, 3
mid: mol2, SDF, SMILES, flexibase
4.10,8.11,-9.04,1,3,0, 310.441, 3
95864500
 
#96

The Broad via PubChem: BRD-K69399815-001-01-2
ref: mol2, SDF, SMILES, flexibase
4.08,11.41,-23.68,1,4,0, 402.469, 3
95864499
 
#97

The Broad via PubChem: BRD-K71062123-001-01-9
ref: mol2, SDF, SMILES, flexibase
1.53,1.58,-17.28,2,6,0, 427.345, 7
95864498
 
#98

The Broad via PubChem: BRD-K94525090-001-01-7
ref: mol2, SDF, SMILES, flexibase
0.74,-0.44,-20.09,4,8,0, 399.513, 8
95864497
 
#99

The Broad via PubChem: BRD-K98077855-001-01-0
ref: mol2, SDF, SMILES, flexibase
2.80,4.06,-15.82,2,7,0, 407.536, 5
95864496
 
#100

The Broad via PubChem: BRD-K81997920-001-01-9
ref: mol2, SDF, SMILES, flexibase
2.62,8.37,-47.84,2,7,0, 430.526, 7
mid: mol2, SDF, SMILES, flexibase
2.62,5.61,-59.66,1,7,-1, 429.518, 7

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 = 764 ) limit 0,100

Smiles were