COVID Moonshot Sprint 11
Summary
Compounds
(current)
Microstates
Transformations
Reliable Transformations
Retrospective Transformations
Retrospective Compounds
VLA-UCB-50c39ae8-2
Metadata
Compound ID
VLA-UCB-50c39ae8-2
Computed quantities
ΔG / kcal M
-1
−9.07
± 0.04
pIC50
6.61
± 0.03
Experimental data
ΔG / kcal M
-1
−9.07
± 0.04
pIC50
6.61
± 0.03
IC50 / µM
0.246
± 0.246
Transformations
RUN
Initial microstate
Final microstate
ΔΔG / kcal M
-1
Work distributions
Convergence
RUN1405
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-9f4ac58c-3_1
pdb
−4.4
± 0.6
RUN1390
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-9f4ac58c-4_1
pdb
−3.6
± 0.6
RUN1272
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-9f4ac58c-6_1
pdb
−3.3
± 0.3
RUN1277
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-853c0ffa-13_2
pdb
−2.9
± 0.4
RUN1337
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-50a80394-2_1
pdb
−2.9
± 0.5
RUN1252
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-be048f2c-5_1
pdb
−2.8
± 0.1
RUN1314
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-be048f2c-8_1
pdb
−2.8
± 0.1
RUN1297
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-fed7ac0b-3_1
pdb
−2.8
± 0.4
RUN1440
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-40ad851a-3_2
pdb
−2.7
± 0.8
RUN1420
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-8484f2d3-2_2
pdb
−2.5
± 0.7
RUN1268
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-9f4ac58c-2_1
pdb
−2.4
± 0.5
RUN1403
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-9f4ac58c-7_1
pdb
−2.3
± 0.4
RUN1330
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-9f4ac58c-5_1
pdb
−2.2
± 0.4
RUN1318
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-7e491f08-2_1
pdb
−2.2
± 0.1
RUN1372
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-50a80394-3_4
pdb
−2.2
± 0.7
RUN1300
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-be048f2c-7_1
pdb
−2.1
± 0.2
RUN1327
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-9f4ac58c-1_1
pdb
−2.0
± 0.5
RUN1413
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-dfa1d800-1_1
pdb
−2.0
± 0.4
RUN1293
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-38eb6498-6_1
pdb
−2.0
± 0.1
RUN1396
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-9f4ac58c-8_1
pdb
−2.0
± 0.4
RUN1348
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-50a80394-2_4
pdb
−2.0
± 0.6
RUN1459
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-dfa1d800-3_1
pdb
−1.9
± 0.3
RUN1133
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-aa57768f-7_1
pdb
−1.9
± 0.1
RUN1140
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-a12e3a20-2_1
pdb
−1.9
± 0.1
RUN1399
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-b6c6ee2b-5_1
pdb
−1.9
± 0.3
RUN1164
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-f702bf1c-1_1
pdb
−1.8
± 0.1
RUN1243
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-cc48ee33-2_1
pdb
−1.8
± 0.1
RUN1250
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-cc48ee33-5_1
pdb
−1.8
± 0.1
RUN1182
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-cc48ee33-7_1
pdb
−1.8
± 0.2
RUN1185
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-cc48ee33-3_1
pdb
−1.7
± 0.1
RUN1371
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-50a80394-3_3
pdb
−1.7
± 0.5
RUN1435
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-dfa1d800-2_1
pdb
−1.7
± 0.4
RUN1187
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-fed7ac0b-2_1
pdb
−1.6
± 0.1
RUN1389
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-38eb6498-4_1
pdb
−1.6
± 0.3
RUN1032
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-aa57768f-9_1
pdb
−1.60
± 0.10
RUN1406
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-ee81482e-4_2
pdb
−1.5
± 0.8
RUN1343
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-50a80394-2_2
pdb
−1.5
± 0.6
RUN1154
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-8c3e556a-2_1
pdb
−1.5
± 0.1
RUN1368
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-976a33d5-2_1
pdb
−1.4
± 0.2
RUN1016
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-3a43cd95-1_1
pdb
−1.40
± 0.07
RUN1457
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-dfa1d800-4_1
pdb
−1.4
± 0.3
RUN1419
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-8484f2d3-1_1
pdb
−1.4
± 0.8
RUN1244
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-cc48ee33-4_1
pdb
−1.3
± 0.1
RUN1266
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-b4d6b7fc-7_1
pdb
−1.3
± 0.3
RUN1438
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-40ad851a-1_1
pdb
−1.3
± 0.7
RUN1395
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-5cd3920d-3_1
pdb
−1.2
± 0.2
RUN1412
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-853c0ffa-10_2
pdb
−1.2
± 0.5
RUN1352
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-5cd3920d-4_1
pdb
−1.2
± 0.2
RUN1028
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-aa57768f-3_1
pdb
−1.2
± 0.1
RUN1428
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-40ad851a-4_1
pdb
−1.2
± 0.7
RUN1350
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-7e491f08-1_2
pdb
−1.1
± 0.7
RUN1415
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-8484f2d3-1_2
pdb
−1.1
± 0.7
RUN1079
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-14142a25-10_1
pdb
−1.1
± 0.1
RUN1118
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-aa57768f-1_1
pdb
−1.1
± 0.1
RUN1284
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-c2d406ed-1_2
pdb
−1.1
± 0.3
RUN1443
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-40ad851a-1_8
pdb
−1.1
± 0.8
RUN1096
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-50a80394-4_2
pdb
−1.1
± 0.2
RUN1253
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-b6c6ee2b-7_1
pdb
−1.0
± 0.1
RUN1148
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UCB-34f3ed0c-14_1
pdb
−1.0
± 0.1
RUN1184
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-976a33d5-1_1
pdb
−1.0
± 0.1
RUN1151
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-8c3e556a-1_1
pdb
−1.0
± 0.1
RUN1076
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-14142a25-1_1
pdb
−1.0
± 0.1
RUN1094
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-9931618f-1_1
pdb
−1.0
± 0.1
RUN1402
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-5cd3920d-1_2
pdb
−0.9
± 0.5
RUN1110
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-f702bf1c-2_1
pdb
−0.9
± 0.1
RUN1401
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-853c0ffa-19_1
pdb
−0.9
± 0.6
RUN1155
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-f702bf1c-6_1
pdb
−0.9
± 0.1
RUN1179
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-576f7758-2_1
pdb
−0.9
± 0.1
RUN1107
map
VLA-UCB-50c39ae8-2_1
pdb
EDG-MED-b1ef7fe3-1_1
pdb
−0.9
± 0.1
RUN1246
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-98c0a822-3_1
pdb
−0.9
± 0.2
RUN1260
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-fd8ed875-6_1
pdb
−0.9
± 0.1
RUN1398
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-b5068a05-1_2
pdb
−0.9
± 0.3
RUN1092
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-9931618f-2_1
pdb
−0.9
± 0.1
RUN1338
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-c2d406ed-2_2
pdb
−0.9
± 0.3
RUN996
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-cf7facf1-1_1
pdb
−0.84
± 0.05
RUN1116
map
VLA-UCB-50c39ae8-2_1
pdb
EDG-MED-b1ef7fe3-2_1
pdb
−0.8
± 0.1
RUN1144
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-fd8ed875-5_1
pdb
−0.8
± 0.1
RUN1139
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-50a80394-5_2
pdb
−0.8
± 0.2
RUN1416
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-ee81482e-2_1
pdb
−0.8
± 0.5
RUN1004
map
VLA-UCB-50c39ae8-2_1
pdb
DAR-DIA-0f7b7cd9-9_1
pdb
−0.81
± 0.07
RUN1180
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-69786b79-3_1
pdb
−0.8
± 0.3
RUN1121
map
VLA-UCB-50c39ae8-2_1
pdb
EDG-MED-b1ef7fe3-3_1
pdb
−0.8
± 0.1
RUN1002
map
VLA-UCB-50c39ae8-2_1
pdb
DAR-DIA-0f7b7cd9-8_1
pdb
−0.77
± 0.07
RUN1306
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-a12e3a20-1_2
pdb
−0.8
± 0.5
RUN1114
map
VLA-UCB-50c39ae8-2_1
pdb
EDG-MED-b1ef7fe3-4_1
pdb
−0.7
± 0.1
RUN1367
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-50a80394-3_2
pdb
−0.7
± 0.5
RUN1240
map
VLA-UCB-50c39ae8-2_1
pdb
MIK-ENA-5d9157e9-2_2
pdb
−0.7
± 0.5
RUN1003
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UCB-29506327-1_1
pdb
−0.71
± 0.05
RUN982
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-159244ea-1_1
pdb
−0.71
± 0.06
RUN1001
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UCB-34f3ed0c-11_1
pdb
−0.70
± 0.06
RUN1299
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-c2d406ed-3_2
pdb
−0.7
± 0.4
RUN1123
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-853c0ffa-1_1
pdb
−0.7
± 0.1
RUN1437
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-40ad851a-1_5
pdb
−0.7
± 0.8
RUN1195
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-19_3
pdb
−0.7
± 0.8
RUN1404
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-ee81482e-1_2
pdb
−0.6
± 0.5
RUN1007
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-56836b69-2_1
pdb
−0.62
± 0.09
RUN984
map
VLA-UCB-50c39ae8-2_1
pdb
BEN-BAS-c2bc0d80-3_1
pdb
−0.61
± 0.07
RUN1312
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-50a80394-1_3
pdb
−0.6
± 0.5
RUN1414
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-38eb6498-1_1
pdb
−0.6
± 0.6
RUN1353
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-38eb6498-3_1
pdb
−0.6
± 0.4
RUN983
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-983b399a-1_1
pdb
−0.56
± 0.09
RUN1196
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-50a80394-6_2
pdb
−0.6
± 0.2
RUN1157
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-b6c6ee2b-6_1
pdb
−0.5
± 0.1
RUN1152
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-b6c6ee2b-2_1
pdb
−0.5
± 0.2
RUN1232
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-16_4
pdb
−0.5
± 0.7
RUN1436
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-40ad851a-1_3
pdb
−0.5
± 0.9
RUN1036
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-aa57768f-8_1
pdb
−0.47
± 0.09
RUN1012
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-3a43cd95-3_1
pdb
−0.46
± 0.05
RUN1382
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-853c0ffa-11_1
pdb
−0.5
± 0.4
RUN1084
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-fed7ac0b-1_1
pdb
−0.4
± 0.2
RUN1142
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-1d5ab790-3_1
pdb
−0.4
± 0.1
RUN1356
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-94036022-6_2
pdb
−0.4
± 0.6
RUN1117
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-868e8996-7_1
pdb
−0.40
± 0.10
RUN1090
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-7e9559de-4_2
pdb
−0.4
± 0.1
RUN1444
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-468565e0-2_1
pdb
−0.3
± 0.7
RUN1201
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-f702bf1c-5_1
pdb
−0.3
± 0.2
RUN1034
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-aa57768f-2_1
pdb
−0.33
± 0.09
RUN1230
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-16_1
pdb
−0.3
± 0.4
RUN1217
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-6_1
pdb
−0.3
± 0.3
RUN1166
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-f702bf1c-8_1
pdb
−0.3
± 0.2
RUN1119
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-868e8996-8_1
pdb
−0.3
± 0.1
RUN1411
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-8484f2d3-2_1
pdb
−0.3
± 0.5
RUN1109
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-1bed62cf-2_1
pdb
−0.29
± 0.09
RUN1351
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-b6c6ee2b-3_2
pdb
−0.3
± 0.6
RUN1375
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-853c0ffa-15_1
pdb
−0.2
± 0.5
RUN1163
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-f702bf1c-4_1
pdb
−0.2
± 0.2
RUN980
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-477dc5b7-4_1
pdb
−0.24
± 0.09
RUN1161
map
VLA-UCB-50c39ae8-2_1
pdb
VLA-UNK-f702bf1c-4_2
pdb
−0.2
± 0.2
RUN1456
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-40ad851a-5_1
pdb
−0.2
± 0.7
RUN1270
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-868e8996-10_1
pdb
−0.2
± 0.3
RUN978
map
VLA-UCB-50c39ae8-2_1
pdb
DAR-DIA-6be260fc-5_1
pdb
−0.2
± 0.1
RUN1231
map
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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VLA-UNK-f702bf1c-5_2
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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RUN1445
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RUN1095
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RUN1364
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RUN1453
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RUN1025
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RUN1374
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RUN1215
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RUN1423
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RUN1027
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RUN1057
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RUN1409
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VLA-UCB-50c39ae8-2_1
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MAT-POS-853c0ffa-9_1
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RUN1256
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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VLA-MRT-8c78ee15-4_2
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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RUN1056
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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MAT-POS-40ad851a-2_2
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VLA-UCB-50c39ae8-2_1
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RUN1249
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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VLA-MRT-a639d434-1_2
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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VLA-UNK-f702bf1c-7_1
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VLA-UCB-50c39ae8-2_1
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VLA-MRT-8c78ee15-4_1
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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MAT-POS-853c0ffa-22_2
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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MAT-POS-853c0ffa-5_1
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RUN1442
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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VLA-UCB-50c39ae8-2_1
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1.7
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VLA-UCB-50c39ae8-2_1
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1.7
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VLA-UCB-50c39ae8-2_1
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MAT-POS-853c0ffa-20_1
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1.7
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VLA-UCB-50c39ae8-2_1
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1.7
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1.8
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VLA-UCB-50c39ae8-2_1
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MIK-ENA-5d9157e9-1_1
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VLA-UCB-50c39ae8-2_1
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MAT-POS-853c0ffa-16_2
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VLA-UCB-50c39ae8-2_1
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LUO-POS-b4dec3be-1_2
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RUN1024
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VLA-UCB-50c39ae8-2_1
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RUN1122
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VLA-UCB-50c39ae8-2_1
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1.8
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VLA-UCB-50c39ae8-2_1
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MAT-POS-983b399a-3_1
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1.81
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RUN1400
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VLA-UCB-50c39ae8-2_1
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MAT-POS-853c0ffa-19_2
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1.8
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VLA-UCB-50c39ae8-2_1
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RUN1222
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VLA-UCB-50c39ae8-2_1
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1.8
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RUN1101
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VLA-UCB-50c39ae8-2_1
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JOH-MSK-1f2dff76-1_1
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1.9
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RUN1022
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VLA-UCB-50c39ae8-2_1
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JOH-MSK-51c67e7d-2_2
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1.86
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RUN1136
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VLA-UCB-50c39ae8-2_1
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MAT-POS-69786b79-2_2
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1.9
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RUN1131
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VLA-UCB-50c39ae8-2_1
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MAT-POS-69786b79-1_1
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1.9
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RUN1067
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VLA-UCB-50c39ae8-2_1
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VLA-MRT-8c78ee15-3_2
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1.9
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RUN1188
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VLA-UCB-50c39ae8-2_1
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MAT-POS-50a80394-6_4
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1.9
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RUN1074
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VLA-UCB-50c39ae8-2_1
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MAT-POS-b4d6b7fc-6_1
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1.9
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RUN974
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VLA-UCB-50c39ae8-2_1
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MAT-POS-983b399a-2_2
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1.95
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RUN1112
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VLA-UCB-50c39ae8-2_1
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2.0
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RUN1141
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VLA-UCB-50c39ae8-2_1
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MAT-POS-576f7758-1_2
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2.0
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RUN1105
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VLA-UCB-50c39ae8-2_1
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JOH-MSK-1f2dff76-2_1
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2.0
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RUN1156
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VLA-UCB-50c39ae8-2_1
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2.0
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RUN1282
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VLA-UCB-50c39ae8-2_1
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2.0
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RUN1358
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VLA-UCB-50c39ae8-2_1
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2.0
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RUN1137
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VLA-UCB-50c39ae8-2_1
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2.0
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RUN1355
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VLA-UCB-50c39ae8-2_1
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RUN1189
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VLA-UCB-50c39ae8-2_1
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2.0
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RUN1328
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VLA-UCB-50c39ae8-2_1
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MAT-POS-853c0ffa-6_2
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RUN1186
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VLA-UCB-50c39ae8-2_1
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2.0
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RUN1147
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VLA-UCB-50c39ae8-2_1
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2.0
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RUN1421
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VLA-UCB-50c39ae8-2_1
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2.0
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RUN1048
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VLA-UCB-50c39ae8-2_1
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MAT-POS-c7726e07-5_2
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RUN1153
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MAT-POS-50a80394-7_2
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RUN1206
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MAT-POS-853c0ffa-17_1
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RUN1061
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VLA-UCB-50c39ae8-2_1
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MAT-POS-2e8b2191-8_1
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RUN1225
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VLA-UCB-50c39ae8-2_1
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RUN1295
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VLA-UCB-50c39ae8-2_1
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MAT-POS-1d5ab790-1_2
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RUN1058
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VLA-UCB-50c39ae8-2_1
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RUN1198
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VLA-UCB-50c39ae8-2_1
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2.1
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VLA-UCB-50c39ae8-2_1
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JOH-MSK-51c67e7d-1_2
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RUN1302
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VLA-UCB-50c39ae8-2_1
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2.1
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RUN1005
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VLA-UCB-50c39ae8-2_1
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VLA-MRT-8c78ee15-1_1
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RUN1329
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VLA-UCB-50c39ae8-2_1
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RUN1062
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VLA-UCB-50c39ae8-2_1
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VLA-MRT-a639d434-1_1
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RUN1280
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VLA-UCB-50c39ae8-2_1
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RUN1190
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2.2
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RUN1212
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VLA-UCB-50c39ae8-2_1
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MAT-POS-853c0ffa-21_1
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2.2
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RUN1228
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VLA-UCB-50c39ae8-2_1
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2.2
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RUN1064
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VLA-UCB-50c39ae8-2_1
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VLA-MRT-8c78ee15-3_1
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RUN1311
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VLA-UCB-50c39ae8-2_1
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2.2
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RUN1233
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VLA-UCB-50c39ae8-2_1
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RUN1045
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RUN1427
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RUN1454
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MAT-POS-40ad851a-1_2
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RUN1211
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MAT-POS-853c0ffa-17_2
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RUN1214
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RUN1323
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RUN1177
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RUN1290
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MAT-POS-1d5ab790-1_1
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RUN1378
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MAT-POS-853c0ffa-12_2
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RUN1158
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RUN1087
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RUN1068
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RUN1125
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RUN1093
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RUN1023
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RUN1324
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RUN1197
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RUN1209
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RUN1359
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RUN1345
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RUN1261
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RUN976
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RUN1171
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RUN1106
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RUN1387
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RUN1018
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VLA-UCB-50c39ae8-2_1
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RUN1102
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RUN1174
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VLA-UCB-50c39ae8-2_1
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RUN988
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VLA-UCB-50c39ae8-2_1
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RUN1388
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RUN1333
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RUN1010
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VLA-UCB-50c39ae8-2_1
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VLA-MRT-8c78ee15-2_1
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RUN1170
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RUN1315
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RUN1169
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VLA-UCB-50c39ae8-2_1
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2.7
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RUN977
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VLA-UCB-50c39ae8-2_1
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2.75
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RUN975
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VLA-UCB-50c39ae8-2_1
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MAT-POS-983b399a-2_1
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2.79
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RUN986
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VLA-UCB-50c39ae8-2_1
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EDJ-MED-f3cfbbb5-1_2
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RUN1013
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VLA-UCB-50c39ae8-2_1
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VLA-MRT-a639d434-3_1
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2.8
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RUN1086
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VLA-UCB-50c39ae8-2_1
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MAT-POS-1d5ab790-2_2
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RUN1134
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VLA-UCB-50c39ae8-2_1
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MAT-POS-69786b79-1_2
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2.9
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RUN1044
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-8bb691af-7_2
pdb
2.9
± 0.1
RUN1349
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-5cd3920d-6_1
pdb
2.9
± 0.4
RUN1366
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-853c0ffa-20_2
pdb
2.9
± 0.5
RUN1248
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-94036022-9_1
pdb
2.9
± 0.3
RUN1237
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-21_2
pdb
3.0
± 0.4
RUN1063
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-ed2cfb03-2_2
pdb
3.0
± 0.5
RUN1167
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-8bb691af-2_3
pdb
3.0
± 0.4
RUN1408
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-853c0ffa-10_1
pdb
3.0
± 0.6
RUN1006
map
VLA-UCB-50c39ae8-2_1
pdb
JOH-MSK-1f2dff76-4_1
pdb
3.0
± 0.1
RUN1316
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-5cd3920d-5_1
pdb
3.1
± 0.5
RUN1208
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-8bb691af-5_2
pdb
3.1
± 0.5
RUN989
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-e78d5f1a-1_1
pdb
3.1
± 0.1
RUN1216
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-853c0ffa-21_2
pdb
3.1
± 0.4
RUN1047
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-8bb691af-7_1
pdb
3.1
± 0.1
RUN1145
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-b6c6ee2b-2_2
pdb
3.1
± 0.3
RUN1286
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-8_1
pdb
3.1
± 0.5
RUN1066
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-8bb691af-9_1
pdb
3.1
± 0.1
RUN1059
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-7587a9ee-1_1
pdb
3.1
± 0.2
RUN1259
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-94036022-9_2
pdb
3.2
± 0.5
RUN985
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-f3cfbbb5-1_1
pdb
3.2
± 0.1
RUN1108
map
VLA-UCB-50c39ae8-2_1
pdb
JOH-MSK-1f2dff76-2_2
pdb
3.2
± 0.2
RUN1354
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-94036022-6_1
pdb
3.2
± 0.6
RUN1452
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-d1147590-1_1
pdb
3.2
± 0.7
RUN1078
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-b4d6b7fc-6_2
pdb
3.3
± 0.2
RUN1373
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-5cd3920d-2_2
pdb
3.3
± 0.6
RUN1439
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-40ad851a-1_4
pdb
3.3
± 0.7
RUN1213
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-9_2
pdb
3.4
± 0.8
RUN1430
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-ee81482e-3_3
pdb
3.4
± 0.9
RUN1085
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-afe0272e-1_2
pdb
3.4
± 0.3
RUN1015
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-94fddcec-4_1
pdb
3.4
± 0.2
RUN1296
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-b4d6b7fc-7_2
pdb
3.4
± 0.3
RUN1370
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-5cd3920d-2_1
pdb
3.4
± 0.3
RUN1276
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-853c0ffa-7_2
pdb
3.5
± 0.4
RUN1159
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-94036022-7_2
pdb
3.5
± 0.3
RUN1220
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-13_2
pdb
3.5
± 0.6
RUN1221
map
VLA-UCB-50c39ae8-2_1
pdb
EDG-MED-00af8776-1_1
pdb
3.6
± 0.3
RUN1042
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-8bb691af-3_2
pdb
3.6
± 0.2
RUN1326
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-eaf50f21-1_2
pdb
3.7
± 0.4
RUN1285
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-22_2
pdb
3.7
± 0.5
RUN1322
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-eaf50f21-1_1
pdb
3.8
± 0.4
RUN1218
map
VLA-UCB-50c39ae8-2_1
pdb
EDG-MED-0c930815-1_2
pdb
3.8
± 0.4
RUN1287
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-853c0ffa-18_1
pdb
3.8
± 0.3
RUN1422
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-40ad851a-2_1
pdb
3.8
± 0.6
RUN1229
map
VLA-UCB-50c39ae8-2_1
pdb
EDG-MED-b6bce001-1_1
pdb
3.8
± 0.3
RUN981
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-159244ea-3_1
pdb
3.91
± 0.08
RUN1129
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-20_2
pdb
4.0
± 0.7
RUN1192
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-fd8ed875-2_1
pdb
4.0
± 0.2
RUN1165
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-8bb691af-2_1
pdb
4.0
± 0.4
RUN1040
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-8bb691af-3_1
pdb
4.0
± 0.2
RUN1224
map
VLA-UCB-50c39ae8-2_1
pdb
EDG-MED-00af8776-1_2
pdb
4.0
± 0.4
RUN1029
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-8bb691af-1_1
pdb
4.0
± 0.2
RUN1173
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-3_1
pdb
4.1
± 0.3
RUN1279
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-8_2
pdb
4.1
± 0.6
RUN1160
map
VLA-UCB-50c39ae8-2_1
pdb
PET-UNK-94036022-14_2
pdb
4.1
± 0.2
RUN1132
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-20_1
pdb
4.2
± 0.7
RUN1274
map
VLA-UCB-50c39ae8-2_1
pdb
MAT-POS-853c0ffa-5_2
pdb
4.2
± 0.5
RUN1205
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-8bb691af-5_1
pdb
4.2
± 0.4
RUN1031
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-8bb691af-1_2
pdb
4.3
± 0.2
RUN1291
map
VLA-UCB-50c39ae8-2_1
pdb
EDG-MED-b6bce001-2_2
pdb
4.3
± 0.4
RUN1014
map
VLA-UCB-50c39ae8-2_1
pdb
JOH-MSK-1f2dff76-3_1
pdb
4.3
± 0.2
RUN1245
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-976a33d5-3_1
pdb
4.4
± 0.6
RUN1033
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-8bb691af-1_3
pdb
4.6
± 0.2
RUN1050
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-3656d29d-1_4
pdb
4.7
± 0.2
RUN1289
map
VLA-UCB-50c39ae8-2_1
pdb
EDG-MED-b6bce001-2_1
pdb
5.0
± 0.4
RUN1083
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-fd8ed875-1_1
pdb
5.1
± 0.1
RUN1226
map
VLA-UCB-50c39ae8-2_1
pdb
EDG-MED-b6bce001-1_2
pdb
5.1
± 0.5
RUN1054
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-3656d29d-1_3
pdb
5.1
± 0.2
RUN1049
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-3656d29d-1_1
pdb
5.2
± 0.2
RUN1219
map
VLA-UCB-50c39ae8-2_1
pdb
EDG-MED-0c930815-1_1
pdb
5.4
± 0.4
RUN1168
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-8bb691af-2_2
pdb
5.5
± 0.4
RUN1255
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-976a33d5-3_2
pdb
5.7
± 0.6
RUN1035
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-8bb691af-1_4
pdb
5.7
± 0.2
RUN1234
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-21_3
pdb
6.2
± 0.5
RUN1046
map
VLA-UCB-50c39ae8-2_1
pdb
EDJ-MED-3656d29d-1_2
pdb
6.2
± 0.2
RUN1392
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-eaf50f21-3_1
pdb
6.9
± 0.7
RUN1380
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-eaf50f21-4_2
pdb
7.0
± 0.4
RUN1394
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-eaf50f21-3_2
pdb
7.6
± 0.7
RUN1391
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-b5068a05-1_1
pdb
7.7
± 0.3
RUN1227
map
VLA-UCB-50c39ae8-2_1
pdb
ALP-POS-ecbed2ba-10_2
pdb
9.2
± 0.9
RUN1376
map
VLA-UCB-50c39ae8-2_1
pdb
LUO-POS-eaf50f21-4_1
pdb
10.5
± 0.5
Last updated 2022-01-08T20:00:02.418133+00:00
Generated by
fah-xchem
version pre-sprint-5+122.gaf80f5c