COVID Moonshot Sprint 5
Summary
Compounds
Microstates
Transformations
(current)
Reliable transformations
Retrospective transformations
Transformations
Showing 4501 through 4600 of 5077
RUN
Initial microstate
Final microstate
ΔΔG / kcal M
-1
Work distribution
Convergence
RUN3573
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-a0a4abd7-5_2
sdf
pdb
2.7
± 0.2
RUN3578
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-a0a4abd7-7_2
sdf
pdb
2.7
± 0.3
RUN3501
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-611d11e7-9_1
sdf
pdb
2.7
± 0.4
RUN4435
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-9b23ef84-8_1
sdf
pdb
2.7
± 0.3
RUN2220
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-de59a476-5_2
sdf
pdb
2.7
± 0.4
RUN4181
PET-UNK-29afea89-2_1
sdf
pdb
JOH-UNI-21fd6073-4_1
sdf
pdb
2.7
± 0.3
RUN3640
PET-UNK-29afea89-2_1
sdf
pdb
ALF-EVA-b701bd13-6_1
sdf
pdb
2.7
± 0.2
RUN3660
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-993cdc78-2_1
sdf
pdb
2.7
± 0.1
RUN2999
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-8e43a71e-15_17
sdf
pdb
2.7
± 0.3
RUN4100
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-4223bc15-21_4
sdf
pdb
2.7
± 0.4
RUN4836
PET-UNK-29afea89-2_1
sdf
pdb
ALF-EVA-82cf4849-7_1
sdf
pdb
2.7
± 0.2
RUN2736
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-ba1ac7b9-29_1
sdf
pdb
2.7
± 0.2
RUN1585
PET-UNK-29afea89-2_1
sdf
pdb
ED_-GRI-5b13fbe2-45_2
sdf
pdb
2.7
± 0.4
RUN2010
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-05e671eb-3_1
sdf
pdb
2.7
± 0.7
RUN3721
PET-UNK-29afea89-2_1
sdf
pdb
KAD-UNI-877d7bed-1_3
sdf
pdb
2.7
± 0.4
RUN3076
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-ba800595-2_1
sdf
pdb
2.7
± 0.3
RUN2248
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-e9e99895-4_2
sdf
pdb
2.7
± 0.4
RUN4003
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-4223bc15-8_4
sdf
pdb
2.7
± 0.6
RUN4544
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-139368ae-4_1
sdf
pdb
2.7
± 0.4
RUN4669
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-fa7708b3-1_1
sdf
pdb
2.7
± 0.3
RUN3018
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-8e43a71e-15_32
sdf
pdb
2.7
± 0.1
RUN4854
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-54748b58-3_1
sdf
pdb
2.7
± 0.3
RUN2339
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-d08626de-2_1
sdf
pdb
2.7
± 0.4
RUN4481
PET-UNK-29afea89-2_1
sdf
pdb
ERI-UCB-8d4e5055-2_1
sdf
pdb
2.7
± 0.3
RUN1716
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-90036822-43_1
sdf
pdb
2.7
± 0.6
RUN2507
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-3496895b-2_8
sdf
pdb
2.7
± 0.3
RUN2022
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-05e671eb-9_1
sdf
pdb
2.7
± 0.6
RUN4984
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-1320d94d-13_1
sdf
pdb
2.8
± 0.5
RUN3837
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-841e0cf0-5_2
sdf
pdb
2.8
± 0.4
RUN1968
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-2d450e86-3_1
sdf
pdb
2.8
± 0.5
RUN1855
PET-UNK-29afea89-2_1
sdf
pdb
CHO-MSK-5891c1ff-1_1
sdf
pdb
2.8
± 0.6
RUN1851
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-a6bd50ad-1_1
sdf
pdb
2.8
± 0.4
RUN3475
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-e002e396-12_1
sdf
pdb
2.8
± 0.2
RUN2395
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-f9802937-3_1
sdf
pdb
2.8
± 0.6
RUN2884
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-ecdbc7dd-6_2
sdf
pdb
2.8
± 0.1
RUN2360
PET-UNK-29afea89-2_1
sdf
pdb
ALF-EVA-5b152d2f-5_1
sdf
pdb
2.8
± 0.3
RUN4959
PET-UNK-29afea89-2_1
sdf
pdb
ALF-EVA-a24cc7ce-6_2
sdf
pdb
2.8
± 0.5
RUN3516
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-0a05c952-3_4
sdf
pdb
2.8
± 0.3
RUN3833
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-841e0cf0-3_2
sdf
pdb
2.8
± 0.1
RUN1769
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-90036822-74_8
sdf
pdb
2.8
± 0.5
RUN4162
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-4223bc15-40_2
sdf
pdb
2.8
± 0.4
RUN2144
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-d91e0300-1_1
sdf
pdb
2.8
± 0.3
RUN4731
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-c82a5324-3_1
sdf
pdb
2.8
± 0.4
RUN1967
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-3735e77e-3_2
sdf
pdb
2.8
± 0.5
RUN1681
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-90036822-17_2
sdf
pdb
2.8
± 0.5
RUN4911
PET-UNK-29afea89-2_1
sdf
pdb
ALF-EVA-07677224-4_4
sdf
pdb
2.8
± 0.5
RUN4419
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-03fd2068-10_2
sdf
pdb
2.8
± 0.3
RUN4805
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-24589f88-15_2
sdf
pdb
2.8
± 0.3
RUN4907
PET-UNK-29afea89-2_1
sdf
pdb
ALF-EVA-07677224-4_1
sdf
pdb
2.8
± 0.5
RUN3612
PET-UNK-29afea89-2_1
sdf
pdb
RUB-POS-1325a9ea-10_1
sdf
pdb
2.8
± 0.1
RUN308
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-8e4737f4-2_1
sdf
pdb
2.8
± 0.2
RUN2903
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-ecdbc7dd-13_1
sdf
pdb
2.8
± 0.3
RUN1374
PET-UNK-29afea89-2_1
sdf
pdb
LON-WEI-5e7d1b3e-60_1
sdf
pdb
2.8
± 0.6
RUN793
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-5a93dd5f-12_4
sdf
pdb
2.8
± 0.3
RUN1872
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-a28eba03-2_1
sdf
pdb
2.8
± 0.5
RUN4874
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-67d5babe-1_10
sdf
pdb
2.8
± 0.9
RUN3136
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-fe871b40-16_1
sdf
pdb
2.8
± 0.3
RUN4970
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-10339a1d-1_2
sdf
pdb
2.8
± 0.4
RUN4104
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-4223bc15-22_4
sdf
pdb
2.8
± 0.5
RUN3421
PET-UNK-29afea89-2_1
sdf
pdb
DAR-DIA-f6ee7aeb-6_2
sdf
pdb
2.8
± 0.3
RUN3500
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-0a05c952-1_5
sdf
pdb
2.8
± 0.2
RUN4400
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-58319883-1_1
sdf
pdb
2.8
± 0.3
RUN3590
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-932d1078-1_3
sdf
pdb
2.8
± 0.4
RUN4305
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-347519b5-3_22
sdf
pdb
2.8
± 0.2
RUN1020
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-21_8
sdf
pdb
2.8
± 0.2
RUN2854
PET-UNK-29afea89-2_1
sdf
pdb
ALF-EVA-650655fc-2_2
sdf
pdb
2.9
± 0.1
RUN1600
PET-UNK-29afea89-2_1
sdf
pdb
ED_-GRI-5b13fbe2-55_2
sdf
pdb
2.9
± 0.5
RUN3064
PET-UNK-29afea89-2_1
sdf
pdb
JAG-UCB-f37eaa14-6_2
sdf
pdb
2.9
± 0.3
RUN4013
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-4223bc15-9_5
sdf
pdb
2.9
± 0.4
RUN4902
PET-UNK-29afea89-2_1
sdf
pdb
ALF-EVA-07677224-2_3
sdf
pdb
2.9
± 0.5
RUN2738
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-ba1ac7b9-30_1
sdf
pdb
2.9
± 0.3
RUN916
PET-UNK-29afea89-2_1
sdf
pdb
MAK-UNK-c749d764-4_5
sdf
pdb
2.9
± 0.2
RUN2142
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-fce787c2-1_1
sdf
pdb
2.9
± 0.3
RUN2378
PET-UNK-29afea89-2_1
sdf
pdb
ALP-POS-2da19ca7-4_1
sdf
pdb
2.9
± 0.4
RUN4848
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-54748b58-1_4
sdf
pdb
2.9
± 0.3
RUN4637
PET-UNK-29afea89-2_1
sdf
pdb
MIC-UNK-ea4eb352-3_2
sdf
pdb
2.9
± 0.2
RUN3683
PET-UNK-29afea89-2_1
sdf
pdb
KAD-UNI-cb0f2bbc-1_1
sdf
pdb
2.9
± 0.3
RUN3959
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-e6dd326d-11_2
sdf
pdb
2.9
± 0.5
RUN2718
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-ba1ac7b9-25_7
sdf
pdb
2.9
± 0.3
RUN2836
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-ee07cf00-12_2
sdf
pdb
2.9
± 0.2
RUN1894
PET-UNK-29afea89-2_1
sdf
pdb
JOH-UNI-ee5ed7c8-1_1
sdf
pdb
2.9
± 0.5
RUN2766
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-dbbfd3db-2_1
sdf
pdb
2.9
± 0.2
RUN2832
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-ee07cf00-13_2
sdf
pdb
2.9
± 0.3
RUN1765
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-90036822-74_4
sdf
pdb
2.9
± 0.2
RUN5008
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-ac320b15-7_1
sdf
pdb
2.9
± 0.4
RUN1530
PET-UNK-29afea89-2_1
sdf
pdb
ED_-GRI-5b13fbe2-7_1
sdf
pdb
2.9
± 0.5
RUN1977
PET-UNK-29afea89-2_1
sdf
pdb
RAL-THA-2d450e86-13_1
sdf
pdb
2.9
± 0.7
RUN5082
PET-UNK-29afea89-2_1
sdf
pdb
MAT-POS-8293a91a-4_1
sdf
pdb
2.9
± 0.5
RUN2931
PET-UNK-29afea89-2_1
sdf
pdb
ALP-UNI-8e43a71e-2_10
sdf
pdb
2.9
± 0.2
RUN2866
PET-UNK-29afea89-2_1
sdf
pdb
ALF-EVA-650655fc-6_2
sdf
pdb
2.9
± 0.2
RUN1529
PET-UNK-29afea89-2_1
sdf
pdb
ED_-GRI-5b13fbe2-2_2
sdf
pdb
2.9
± 0.6
RUN1333
PET-UNK-29afea89-2_1
sdf
pdb
LON-WEI-5e7d1b3e-30_1
sdf
pdb
2.9
± 0.2
RUN2212
PET-UNK-29afea89-2_1
sdf
pdb
LEE-CAM-7ab9b158-4_3
sdf
pdb
2.9
± 0.4
RUN1679
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-90036822-16_1
sdf
pdb
2.9
± 0.5
RUN4333
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-7587a9ee-1_1
sdf
pdb
2.9
± 0.3
RUN4505
PET-UNK-29afea89-2_1
sdf
pdb
EDG-MED-10fcb19e-5_2
sdf
pdb
2.9
± 0.3
RUN1596
PET-UNK-29afea89-2_1
sdf
pdb
ED_-GRI-5b13fbe2-52_1
sdf
pdb
2.9
± 0.7
RUN5071
PET-UNK-29afea89-2_1
sdf
pdb
EDJ-MED-ce467fd5-1_2
sdf
pdb
2.9
± 0.4
RUN4975
PET-UNK-29afea89-2_1
sdf
pdb
PET-UNK-1320d94d-4_1
sdf
pdb
2.9
± 0.5
RUN1622
PET-UNK-29afea89-2_1
sdf
pdb
ED_-GRI-5b13fbe2-69_2
sdf
pdb
2.9
± 0.6
Last updated 2021-06-04T18:13:56.580002+00:00
Generated by
fah-xchem
version 0.1.0+79.gd44a60c.dirty