Datasets:
Zhaohan-Meng
/
InteractBind

Dataset card Data Studio Files
xet
 Community
1
pubchem_id
string
uniprot_id
string
selfies
string
smiles
string
saprot
string
fasta
string
att_site
string
label
int64
affinity
float64
Hydrogen bonding_binding_site
string
Salt Bridges_binding_site
string
π–π Stacking_binding_site
string
Cation–π_binding_site
string
Hydrophobic_binding_site
string
Van der Waals_binding_site
string
Overall_binding_site
string
8117
965957
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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7ZIH_1_k12
0
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8172
Q9V0L2
[CH2][Branch1][=Branch1][OH0][CH2][CH2][OH0][H][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCO
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6NSY_6_k12
0
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89781510
P17865
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][OH0][H]
OC[C@H](O)C(O)O
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1ZL7_1_k12
0
-3.5
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56832521
O22476
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O=S(=O)(c1cccs1)N1CCN(c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)CC1
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4MSU_3_k12
1
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90655273
A3M8H2
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OS(O)(O)CCN1CCOCC1
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6TPM_2_k12
0
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s648
P00734
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O=C(C1=CNC(OCCN2CCCC2)C=C1)c1c(-c2ccc(OCCn3cccc3)cc2)sc2ccccc12
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1D3T_2_k12
1
-9.1
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7913
P00374
[NH0][Branch2][Ring1][C][CH0][=Branch1][C][=OH0][NH0][Branch1][#Branch2][CH0][Branch1][=Branch1][NH0][Branch1][C][H][H][=OH0][H][Branch1][C][H][H]
NC(=O)NC(N)=O
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MIRIDATPYPYQFHPRSTALVVIDMQRDFIEEGGFGSALGNDVRPLAAIVPTVAALLQLAREAGMLVVHTRESHLPDLSDCPRSKRLRGNPTLGIGDVGPMGRILVQGEPGNQILPQLAPVEGELVIDKPGKGAFYATDLHAQLQERRITHLLVAGVTTEVSVQTSMREANDRGYECLVIEDACASYFPDFHRITLEMLTAQGGIVGWRTPLAQLQAGVMIRIDATPYPYQFHPRSTALVVIDMQRDFIEEGGFGSALGNDVRPLAAIVPTVAALLQLAREAGMLVVHTRESHLPDLSDCPRSKRLRGNPTLGIGDVGPM...
6XJ4_2_k12
2
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8200
P34266
[OH0][Branch1][Branch2][CH2][CH2][OH0][CH2][CH2][OH0][H][CH2][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCOCCO
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NKREIVEFLGIRTYFFPNLALYAVNNDELLVSDPNKANSFAAYVFGASDKKPSVDDIVQILFPSGSDSGTILTSMDTLLALGPDFLTEFKKRNQDLARFNLTHDLSILAQGDEDAAKKKLNLMGRKAKLQKTEAAKILAILIKTINSEENYEKFTELSELCGLDLDFDAYVFTKILGLEDEDTADEVEVIRDNFLNRLDQTKPKLADIIRNGMDTNKREIVEFLGIRTYFFPNLALYAVNNDELLVSDPNKANSFAAYVFGASDKKPSVDDIVQILFPSGSDSGTILTSMDTLLALGPDFLTEFKKRNQDLARFNLTHDL...
5W4A_4_k12
0
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757
Q9U419
[CH0][=Branch1][C][=OH0][Branch1][Ring2][CH2][OH0][H][OH0][H]
O=C(O)CO
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4UFV_4_k12
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160689
Q16881
[C@@H1][Branch2][Ring1][Branch1][CH2][OH0][P@@][=Branch1][C][=OH0][Branch1][C][OH1][OH0][CH2][CH2][N@+1][Branch1][C][CH3][Branch1][C][CH3][CH3][Branch1][=N][CH2][OH0][CH0][=Branch1][C][=OH0][CH2][CH2][CH2][CH2][CH2][CH3][OH0][CH0][=Branch1][C][=OH0][CH2][CH2][CH2][CH2][CH2][CH3]
CCCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCC
MdPfHfRaFkKdVqYfNfYdMdSdPwTdFaCqDpHpCpGgShLtLlWdGdLhVgKsQsGfLiKaCgEpDpCpGgMgNtVhHhHpKvCcRrEvKvVdAdNgLdCd
MPHRFKVYNYMSPTFCDHCGSLLWGLVKQGLKCEDCGMNVHHKCREKVANLC
7LCB_1_k12
0
-4.4
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[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0]
[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,0]
[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,0]
8117
P79800
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
VdRfQkWfAqHfGlAlDlLlVlVlSvQqLvEvAlQlGvVaRqQeVeFeGfIaPdGdAvKqIfDvKvVnFvDvSsLcLvDpSdSnIyRyIyIfPyVfRdHfEqAcNlArAlFlMlAqAqAlVlGqRqIvTpGlKfAtGrVeAyLeVfTeSpGdPnGrClSvNsLnIqTvGsMqAlTqAsNqSlElGlDrPqVyVeAyLeGyGgAdVaKaRlAvDvKvApKvMdDpTsVqAvMvFcSpPvVrTwKqYeAgIeEeVdTnAdPlDaAcLsAqEvVnVsSlNvAqFrRvAsAqErQpGfRrPhGgSyAyFyVySyLyPhQsDcVs...
VRQWAHGADLVVSQLEAQGVRQVFGIPGAKIDKVFDSLLDSSIRIIPVRHEANAAFMAAAVGRITGKAGVALVTSGPGCSNLITGMATANSEGDPVVALGGAVKRADKAKMDTVAMFSPVTKYAIEVTAPDALAEVVSNAFRAAEQGRPGSAFVSLPQDVVDGPVSGKVLPASGAMGAAPDDAIDQVAKLIAQAKNPIFLLGLMASQPENSKALRRLLETSHIPVTSTYQAAGAVNQDNFSRFAGRVGLFNNQAGDRLLQLADLVICIGYSPVEYEPAMWNSGNATLVHIDVLPAYEERNYTPDVELVGDIAGTLNKLAQ...
1OZH_2_k12
0
-2.7
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177
P02699
[CH1][=Branch1][C][=OH0][CH3]
CC=O
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2I35_4_k12
0
-2.4
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444205
Q99983
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447053
526748
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967
C3P8N9
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O=C(O)c1cc(=O)[nH]c(=O)[nH]1
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8DHH_2_k12
2
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444279
P06010
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3PRC_1_k12
2
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s50
P42212
[CH0][Branch2][Branch1][Ring2][NH0][Branch1][C][H][C@H1][Branch2][Ring2][Ring1][CH0][=Branch1][C][=OH0][NH0][Branch1][C][H][C@@H1][Branch1][#C][CH2][C@H1][CH0][=Branch1][C][=OH0][NH0][Branch1][C][H][CH2][CH2][Ring1][#Branch1][CH2][CH2][CH0][=Branch1][C][=OH0][OH0][CH2][CH3][CH2][CH0][=CH1][CH1][=CH1][CH1][=CH1][Ring1][...
CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCC1=c2ccccc2=C2CC=CC=C21)[C@@H](C)OC(C)(C)C
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GPGFDFAQAIMKKNTVVARTEKGEFTMLGVHDRVAVIPTHASVGETIYINDVETKVLDACALRDLTDTNLEITIVKLDRNQKFRDIRHFLPRYEDDYNDAVLSVHTSKFPNMYIPVGQVTNYGFLNLGGTPTHRILMYNFPTRAGQCGGVVTTTGKVIGIHVGGNGAQGFAAMLLHSYFTDTQKHHHHH
3ZVE_1_k12
1
-7.7
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6503
P13751
[C@][Branch1][=Branch1][NH0][Branch1][C][H][H][Branch1][Ring2][CH2][OH0][H][Branch1][Ring2][CH2][OH0][H][CH2][OH0][H]
NC(CO)(CO)CO
DdIfPdQaPlIdRdGpDpKdGhAdTgVdKdIdPdRdNdIrEvRvDcRvQlNwPvDcMvLsVhPnPdEpTlDaHdGdTdVdSaNdMfKkFdSfFlSvDpTfHdNwRaLdEdKaGfGwYiAkRtEkVdTfVcRvEnLrPvIvSpEfNfLkAiSkVmNwMiRwLgKdPaGqAkIkAqEaLkHkWfHfKqEwAkEkWkAkYaMwIqYaGaSkAkRwVkTwIwVaDdEpKvGrRaSiFdIiDdDmVaGhEhGqDkLmWfYiFgPhShGpLiPiHmSmIiQtAtLhEpEhGtAtEiFmLmLmVmFtDrDgGrSpFdSdEpNvSgTm...
DIPQPIRGDKGATVKIPRNIERDRQNPDMLVPPETDHGTVSNMKFSFSDTHNRLEKGGYAREVTVRELPISENLASVNMRLKPGAIAELHWHKEAEWAYMIYGSARVTIVDEKGRSFIDDVGEGDLWYFPSGLPHSIQALEEGAEFLLVFDDGSFSENSTFQLTDWLAHTPKEVIAANFGVTKEEISNLPGKEKYIFENQLPGSLKDDIVEGPNGEVPYPFTYRLLEQEPIESEGGKVYIADSTNFKVSKTIASALVTVEPGAMRELHWHPNTHEWQYYISGKARMTVFASDGHARTFNYQAGDVGYVPFAMGHYVENIG...
2UY8_1_k12
0
-2.3
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22793171
P18946
[CH2][CH2][CH0][=Branch1][C][=OH0][CH1][=CH0][CH1][=CH1][C@@H1][C@@H1][Branch1][#Branch1][C@@][Ring1][O][Ring1][=Branch1][CH3][CH0][=Branch1][C][=OH0][CH2][C@@][Branch1][C][CH3][C@H1][Ring1][#Branch2][CH2][CH2][C@][Ring1][=Branch1][Branch1][Ring1][OH0][H][CH0][=Branch1][C][=OH0][CH2][OH0][H]
C[C@]12CCC(=O)C=C1C=C[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO
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3EAU_2_k12
1
-9.2
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s885
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5AX1_5_k12
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8172
Q12341
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174
B2VH50
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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4M0A_1_k12
0
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753
Q8GQN9
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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5ELV_3_k12
0
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867
P60052
[CH2][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][CH0][=Branch1][C][=OH0][OH0][H]
O=C(O)CC(=O)O
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TKAVCVLKGDGPVQGIINFEQKESNGPVKVWGSIKGLTEGLHGFHVHEFGDNTAGCTSAGPHFNPLSRKHGGPKDEERHVGDLRNVTADKDGVADVSIEDSVISLSGDHCIIGRTLVVHEKADDLGKGGNEESTKTGNAGSRLACGVIGIAQTKAVCVLKGDGPVQGIINFEQKESNGPVKVWGSIKGLTEGLHGFHVHEFGDNTAGCTSAGPHFNPLHVGDLRNVTADKDGVADVSIEDSVISLSGDHCIIGRTLVVHEKADDLGGNAGSRLACGVIGIAQ
3CQP_1_k12
0
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25862032
P42556
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5RHK_1_k12
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445395
Q65JA6
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2X2P_1_k12
1
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178
P26613
[NH0][Branch1][=Branch1][CH0][=Branch1][C][=OH0][CH3][Branch1][C][H][H]
CC(N)=O
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RAHHNALERKRRDHIKDSFHKLRDSVPSRAQILCKATEYIQYMRRKN
7RCU_2_k12
0
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s664
P17291
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1RNN_2_k12
2
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s47
B9W4V6
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1MOK_1_k12
1
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176
Q54527
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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LEPTDQDLDVLLKNLGNLVTPMALRVAATLRLVDHLLAGADTLAGLADRTDTHPQALSRLVRHLTVVGVLEGGEKGRPLRPTRLGMLLADGHPAQQRAWLDLNGAVSHADLAFTGLLDVVRTGRPAYAGRYGRPFWEDLSADVALADSFDALMSCDEDLAYEAPADAYDWSAVRHVLDVGGGNGGMLAAIALRAPHLRGTLVELAGPAERARRRFADAGLADRVTVAEGDFFKPLPVTADVVLLSFVLLNWSDEDALTILRGCVRALEPGGRLLVLDRADRFFSTLLDLRMLTFMGGRVRTRDEVVDLAGSAGLALASER...
1XDU_2_k12
0
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753
178102
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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TFALLDATRAFLAKPKQMLIGAEWSDAASGRQLDVVNPADGTVIARVPEADERDVQQAVAAARRAFDAGPWRTAKTTDRERLMLVLADLIEANARELAEIESLDNGKPVMVAQGLDVAMAAQCFRYMAGWATKIEGSVIDAGMPYLPDSEIFAYTRKEPVGVVGAIIPWNFPLLMAAWKIAPALATGCTVVLKPAEDTPLSALRLGELIQAAGFPDGVVNIVTGYGHTAGAALSRDPRIDKIAFTGSTQTGKTIGHAALDNMTRMSLELGGKSPVIVLPDVDLDKAAQGVANAIFFNQGQVCTAGSRAYIHSKVFDGVIE...
4O5H_1_k12
0
-3
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s756
P24941
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NC1=CCN([C@H]2CC[C@H](COP(O)O)O2)C(=O)N1
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6H1V_1_k12
2
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s603
O60341
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3TWJ_2_k12
1
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6572510
Q91XB0
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8HCF_2_k12
1
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444205
Q9UMF0
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4OI9_2_k12
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64960
A0A649V088
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OC[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O
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5TOY_1_k12
2
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24775
P00327
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CC(C)(C)CC(C)(C)c1ccc(OCCOCCO)cc1
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PGPPLFNVSLDVAPELRWLPVLRHYDVELVRAAVAQVIGDRVPKWVLALIEKGALKLERLLPPPFTAEIRGMCDFLNLSLADGLLVNLAYEYSAFCTSIVAQDSRGHVYHGRNLDYPYGSILRKLTVDVQFLKNGQIAFTGTTFIGYVGLWTGQSPHKFTVSGDERDRGWWWENLVAALFLRHSPISWLLRTTLSEAESFEAAVYRLAKTPLIADVYYIVGGTNPREGVVITRNRDGPADIWPLDPLKGVWFLVETNYDHWKPAPEEDDRRTPAIKALNATGQAKLSLETLFQVLSVVPVYNNYTIYTTVMSAASPDKYM...
6DY1_3_k12
2
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753
P30419
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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7OWR_2_k12
0
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s206
P03951
[P@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][Branch2][Branch1][C][OH0][P@@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][OH0][CH2][C@@H1][C@@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch2][Ring1][Ring2][NH0][CH2][CH0][Branch1][#Branch2][CH0][Branch1][=Branch1][NH0][Branch1][C][H][H][=OH0][=CH...
NC(=O)C1=CC=CN([C@@H]2O[C@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]3O[C@@H](N4CNC5=C(N)NCNC54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C1
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VASYDYLVIGGGSGGLASARRAAELGARAAVVESHKLGGTCVNVGCVPKKVMWNTAVHSEFMHDHADYGFPSCEGKFNWRVIKEKRDAYVSRLNAIYQNNLTKSHIEIIRGHAAFTSDPKPTIEVSGKKYTAPHILIATGGMPSTPHESQIPGASLGITSDGFFQLEELPGRSVIVGAGYIAVEMAGILSALGSKTSLMIRHDKVLRSFDSMISTNCTEELENAGVEVLKFSQVKEVKKTLSGLEVSMVTAVPGRLPVMTMIPDVDCLLWAIGRVPNTKDLSLNKLGIQTDDKGHIIVDEFQNTNVKGIYAVGDVCGKAL...
1GRB_2_k12
1
-8.9
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146035915
Q6JHU9
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C[C@H]1Nc2c(cccc2C(=O)NCC(F)(F)CN2CCCc3ccccc32)NC1=O
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6YIL_1_k12
1
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447053
P81371
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C[C@@H]1OC[C@@H](O)[C@H](O)[C@@H]1O
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5KXD_2_k12
0
-2.9
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s793
O14965
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C[C@H]1C[C@](CC2=C3CC=CC=C3C=C(N[C@@H]3NC=CS3)N2)(C(=O)O)CCN1Cc1cccc(Cl)c1F
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6C2T_1_k12
1
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s715
Q58715
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4E5J_1_k12
1
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s1079
O60885
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CCOc1ccc(C(C)=O)cc1-c1cc(NC(=O)c2ccco2)cc(C2C=CN(C)N2)c1
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5OVB_1_k12
1
-9.1
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s103
A2QHE5
[NH0][Branch1][C][H][CH2][NH0][Branch1][C][H][C@@H1][CH0][=Branch1][=Branch2][=CH0][Ring1][Branch2][NH0][Branch1][C][H][H][CH0][Branch1][C][IH0][=CH1][NH0][Ring1][#Branch2][C@@H1][OH0][C@H1][Branch1][Ring2][CH2][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@H1][Ring1][#Branch2][OH0][H]
NC1=C2C(I)=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)[C@@H]2NCN1
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5OD2_1_k12
1
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444655
O43613
[CH0][=Branch1][=Branch1][=N+1][Branch1][C][H][H][Branch1][=Branch1][NH0][Branch1][C][H][H][CH0][=CH1][CH1][=CH1][CH1][=CH1][Ring1][=Branch1]
NC(=[NH2+])c1ccccc1
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IVGGYTCGANTVPYQVSLNSGYHFCGGSLINSQWVVSAAHCYKSGIQVRLGEDNINVVEGNEQFISASKSIVHPSYNSETYNNDIMLIKLKSAASLNSRVASISLPTSCASAGTQCLISGWGNTKSSGTSYPDVLKCLKAPILSDSSCKSASSFIITSNMFCAGYLEGGKDACQGDSGGPVVCSGKLQGIVSWGEGCAQKNKPGIYTKVCNYVSWIKQTIASN
3PWB_2_k12
2
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57031297
P22262
[C@@H1][Branch1][Branch2][OH0][CH2][CH2][CH2][CH2][CH2][CH3][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring2][CH2][OH0][H][OH0][Ring2][Ring1][=Branch1]
CCCCCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
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ATTAKEEMARFWEKNTKSSRPLSPHISIYKWSLPMAMSITHRGTGVALSLGVSLFSVAALLLPEQFPHYVAVVKSLSLSPALIYSAKFALVFPLSYHTWNGIRHLVWDMGKGFKLSQVEQSGVVVLILTLLSSAGIAAISTSRIKKFSIYRWDPDKPGDKPRMQTYEVDLNKCGPMVLDALIKIKNELDSTLTFRRSCREGICGSCAMNIAGGNTLACTKKIDPDLSKTTKIYPLPHMYVVKDLVPDLSNFYAQYKSIEPYLKKKDESKQGKEQYLQSIEDRQKLDGLYECILCACCSTSCPSYWWNGDKYLGPAVLMQA...
2WQY_3_k12
2
-5.5
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447053
P05164
[CH2][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][C][CH3][OH0][Ring1][=N]
C[C@@H]1OC[C@@H](O)[C@H](O)[C@@H]1O
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NCETSCVQQPPCFPLKIPPNDPRIKNQADCIPFFRSCPACPGSNITIRNQINALTSFVDASMVYGSEEPLARNLRNMSNQLGLLAVNQRFQDNGRALLPFDNLHDDPCLLTNRSARIPCFLAGDTRSSEMPELTSMHTLLLREHNRLATELKSLNPRWDGERLYQEARKIVGAMVQIITYRDYLPLVLGPTAMRKYLPTYRSYNDSVDPRIANVFTNAFRYGHTLIQPFMFRLDNRYQPMEPNPRVPLSRVFFASWRVVLEGGIDPILRGLMATPAKLNRQNQIAVDEIRERLFEQVMRIGLDLPALNMQRSRDHGLPGY...
7LAL_4_k12
0
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174
A0A087WNH6
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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MKGFAMLSIGKVGWIEKEKPAPGPFDAIVRPLAVAPCTSDIHTVFEGAIGERHNMILGHEAVGEVVEVGSEVKDFKPGDRVVVPAITPDWRTSEVQRGYHQHSGGMLAGWKFSNVKDGVFGEFFHVNDADMNLAHLPKEIPLEAAVMIPDMMTTGFHGAELADIQMGSSVVVIGIGAVGLMGIAGAKLRGAGRIIGVGSRPICVEAAKFYGATDILNYKNGHIVDQVMKLTNGKGVDRVIMAGGGSETLSQAVSMVKPGGIISNINYHGSGDALLIPRVEWGCGMAHKTIKGGLCPGGRLRMERLIDLVFYKRVDPSKLV...
3FSR_1_k12
0
-2.6
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s631
P07814
[NH0][Branch1][C][H][C@@H1][Branch1][C][CH3][CH1][=CH0][Branch2][Ring1][Branch1][NH0][CH2][CH2][C@@][Branch1][Ring2][CH2][OH0][H][Branch1][=Branch1][C@@H1][CH2][CH2][Ring1][Ring1][CH0][Ring1][O][=OH0][CH1][=CH0][Ring2][Ring1][Ring2][CH0][=Branch1][C][=OH0][NH0][Branch1][C][H][CH2][CH0][=CH1][CH0][Branch1][=C][CH0][=CH1...
C[C@H]1C=C(N2CC[C@@](CO)(C3CC3)C2=O)C=C(C(=O)NCc2cc(F)cc(C3=CN(C)NC3)c2)N1
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7F9A_1_k12
1
-11.5
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12388
P02945
[CH2][Branch1][#Branch1][CH2][CH2][CH2][CH2][CH2][CH3][CH2][CH2][CH2][CH2][CH2][CH3]
CCCCCCCCCCCCC
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ITGRPEWIWLALGTALMGLGTLYFLVKGMGVSDPDAKKFYAITTLVPAIAFTMYLSMLLGYGLTMVPFGGEQNPIYWARYADWLFTTPLLLLDLALLVDADQGTILALVGADGIMIGTGLVGALTKVYSYRFVWWAISTAAMLYILYVLFFGFTSKAESMRPEVASTFKVLRNVTVVLWSAYPVVWLIGSEGAGIVPLNIETLLFMVLDVSAKVGFGLILLRSRAIFGEAE
5H2K_8_k12
0
-3.7
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8117
P11609
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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HMFDVAKYLRRIGVEGTPPPTLDTLRHLHKRHLMAVPYDNSTAPDRLPASRHLTNVPLDLVFGHVVTEGHGGVCYELNRLFHTLLAELGYDVRMVAAAVRQANGTFGPEREHTFDLVHLDGRTHLVDVGFPGPSYSEPLYLSEEEQHQYGCSYRVTEHDGYRVVERRPKGSDWQPVYRFRPELADPSGWDAVRLAGTTFRSRATDNGKIVLIGRRYFTVEDGVERTKVLVKADEFQDVVDLILAGA
8OSZ_2_k12
0
-2.7
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s53
P00338
[P@@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][Branch2][Branch1][C][OH0][P@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][OH0][CH2][C@@H1][C@@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch2][Ring1][Ring2][NH0][CH2][CH0][Branch1][#Branch2][CH0][Branch1][=Branch1][NH0][Branch1][C][H][H][=OH0][=CH...
NC(=O)C1=CC=CN([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]3O[C@@H](N4CNC5=C(N)NCNC54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C1
AdTdLpKcDvQvLpIdYdNdLdLdKdTdPwQpNaKeIeTeVqVeGdVpGdAlVaGsMlAlCqAvIlSlIqLlMqKvDvLlAtDlEeLyAeLyVeDdVqIpEaDvKvLrKvGvEsMqMvDvLsQqHvGvSsLvFpLdRpTrPhKhIyVySyGdKnDqYlNlVsTlAaNqShKqLeVyIeIyTqAdGaAdRdQdQdEpGpErSdRpLlNrLrVvQqRvNrVlNvIvFlKlFvIvIlPvNrVnVcKvYrShPvNqChKaLyLeIyVeSyNpPvVfDqIlLvTlYlVsAsWcKvInSnGvFdPdKqNqRrVgIwGySlGaCcNq...
ATLKDQLIYNLLKTPQNKITVVGVGAVGMACAISILMKDLADELALVDVIEDKLKGEMMDLQHGSLFLRTPKIVSGKDYNVTANSKLVIITAGARQQEGESRLNLVQRNVNIFKFIIPNVVKYSPNCKLLIVSNPVDILTYVAWKISGFPKNRVIGSGCNLDSARFRYLMGERLGVHPLSCHGWVLGEHGDSSVPVWSGMNVAGVSLKTLHPDLGTDKDKEQWKEVHKQVVESAYEVIKLKGYTSWAIGLSVADLAESIMKNLRRVHPVSTMIKGLYGIKDDVFLSVPCILGQNGISDLVKVTLTSEEEARLKKSADTLW...
6SBU_1_k12
1
-9.8
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85054740
P47811
[CH1][=Branch1][P][=CH1][CH0][=Branch1][N][=CH1][CH1][=CH1][CH0][=Branch1][Branch1][=CH1][CH2][OH0][H][CH3][CH3][CH0][=CH0][Branch1][C][CH3][CH0][=Branch1][C][=OH0][CH1][=CH1][C@@][Ring1][Branch2][Branch1][C][CH3][CH3]
CC(C=CC1=C(C)C(=O)C=CC1(C)C)=CC=CC(C)=CCO
PdFdPdYkEdFkRdEdLdNdPvEvElDvKvLlVvKcAqNwLqGvAlFqPpTfTaYwViKqLiGgPpKqGgYfMtVfYtRpPqYcLvKvDcAlAvNvIqYqNvMfPdLfRaPqTlDeVeFeVeAeSeYqQpRpSfGcTrTlMlTvQlEvLlVlWvLcIlEvNvDvLnNpFvEvAvAlKlTaYaMsScLvRqYaIqYeLqDrGqFlMrIsYdDdPlEvKcQvEvEsYlNlDvIlLaPpNcPsEvNqLfDpMvEvRvYvLvGvLvLnEvYvSsSpRdPhGsSsSvLvLqAvApVdPdPpTvEdKhRhFyVyKyTyHhLaPaLp...
PFPYEFRELNPEEDKLVKANLGAFPTTYVKLGPKGYMVYRPYLKDAANIYNMPLRPTDVFVASYQRSGTTMTQELVWLIENDLNFEAAKTYMSLRYIYLDGFMIYDPEKQEEYNDILPNPENLDMERYLGLLEYSSRPGSSLLAAVPPTEKRFVKTHLPLSLMPPNMLDTVKMVYLARDPRDVAVSSFHHARLLYLLNKQSNFKDFWEMFHRGLYTLTPYFEHVKEAWAKRHDPNMLFLFYEDYLKDLPGSIARIADFLGKKLSEEQIQRLSEHLNFEKFKNNGAVNMEDYREIGILADGEHFIRKGKAGCWRDYFDEEM...
1X8L_1_k12
1
-8.5
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s643
P14489
[CH1][Branch2][Ring1][C][CH2][CH0][=CH1][NH0][Branch1][C][H][CH0][=CH0][Ring1][=Branch1][CH1][=CH1][CH1][=CH1][Ring1][=Branch1][CH0][=Branch1][C][=OH0][NH0][Branch1][Ring2][CH2][CH1][=OH0][CH1][Branch1][#Branch1][CH2][NH0][Branch1][C][H][H][NH0][Ring2][Ring1][Branch2][H]
NCC1NC(Cc2c[nH]c3ccccc23)C(=O)N1CC=O
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SLPATHELHIFGSINGVDFDMVGQGTGNPNEGYEELNLKSTKGDLQFSPWILVPHVFHQYLPYPDGMSPFQAAMVDGSGYQVHRTMQFEDGASLTVNYRYTYEGSHIKGEAQVKGTGFPADGPVMTNSLTAVDSCWSKKTYPNDKTIISTFKWSYTTGNGERYRSTARTTYTFAKPMAANYLKNQPVYVFRKTELKHSETELNFKEWQKAFTDVMGMDEL
7Z7P_1_k12
2
-6.8
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s677
P03442
[C@@H1][Branch1][N][CH2][OH0][P@][Branch1][C][OH1][=Branch1][C][=OH0][OH0][H][OH0][C@@H1][Branch2][Ring1][N][NH0][CH1][Branch1][Ring1][OH0][H][NH0][Branch1][C][H][CH1][Branch1][Ring1][OH0][H][CH0][Branch1][C][FH0][=CH0][Ring1][N][NH0][Branch1][C][H][H][C@H1][Branch1][Ring1][OH0][H][C@@H1][Ring2][Ring1][=N][OH0][H]
NC1=C(F)C(O)NC(O)N1[C@@H]1O[C@@H](COP(=O)(O)O)[C@@H](O)[C@H]1O
GdLdVdPdRqGlSpMaGaFpKlVvKlLlElKvRlRcNvAvIqNvTfCqLaCaIeGeLaDqPqDaEpKvDlIlEvNvFqMvKvNvEcKvEvNvNvYnNpNqIlKvKvNlLlKvEdKvYcIlNvNvVaSdIpKpKsDvIlLlLnKdArPlDvNcIcIvRvEpEvKvSvEcEnFsFlYnFsFvNlHsFlClFsYsIlIcNvElTfNvKsYlAhLsTeFyKeMyNeFvAvFrYqIpPpYvGhScVsGsIvDsVsLlKlNrVsFlDsYsLcYsEvLvNsIrPaTyIeLyDeMdKqIdNdDdIpGqNvTvVcKlNvYvRlKcFcIq...
GLVPRGSMGFKVKLEKRRNAINTCLCIGLDPDEKDIENFMKNEKENNYNNIKKNLKEKYINNVSIKKDILLKAPDNIIREEKSEEFFYFFNHFCFYIINETNKYALTFKMNFAFYIPYGSVGIDVLKNVFDYLYELNIPTILDMKINDIGNTVKNYRKFIFEYLKSDSCTVNIYMGTNMLKDICYDEEKNKYYSAFVLVKTTNPDSAIFQKNLSLDNKQAYVIMAQEALNMSSYLNLEQNNEFIGFVVGANSYDEMNYIRTYFPNCYILSPGIGAQNGDLHKTLTNGYHKSYEKILINIGRAITKNPYPQKAAQMYYDQI...
3N2M_2_k12
1
-9
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s14
P37095
[C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch2][Ring1][=Branch2][OH0][C@H1][OH0][C@H1][Branch1][Ring2][CH2][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@H1][Ring1][=N][OH0][H][C@@H1][Branch1][Ring2][CH2][OH0][H][OH0][C@H1][Ring2][Ring1][=N][OH0][CH2][CH2][CH2][CH2]...
CCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H]1O
IdKlSlLvFvAlVqIvIvGlGlSvVqGqCqTvLqRlWvLvLqSqTvKvFfNqSvLvFcPlNlLqPrPvGsTlLlVvVlNlLlLvAlGlLlIqIlGlTlAlLvAqYvFcLvRvQvPvHpLdDdPvFsWvKsLsMnIsTnTsGhLnCsGvGnLnShTdFdTvTvFlSvVvEsVlFvAvLcLvQvAvGvNvYpIvWsAsLvTvSsVvLcVcHsVpIvGsSsLnIvMsTsAnLcGsFnFvIvIsTvIvLvFvAdMdIvKlSlLvFvAlVqIaIqGlGlSvVlGqClTvLqRlWvLvLqSqTvKvFfNqSvLpFdPlNlLaPrPv...
IKSLFAVIIGGSVGCTLRWLLSTKFNSLFPNLPPGTLVVNLLAGLIIGTALAYFLRQPHLDPFWKLMITTGLCGGLSTFTTFSVEVFALLQAGNYIWALTSVLVHVIGSLIMTALGFFIITILFAMIKSLFAVIIGGSVGCTLRWLLSTKFNSLFPNLPPGTLVVNLLAGLIIGTALAYFLRQPHLDPFWKLMITTGLCGGLSTFTTFSVEVFALLQAGNYIWALTSVLVHVIGSLIMTALGFFIITILFSVSSVPTKLEVVAATPTSLLISWDAPAVTVVHYVITYGETGGNSPVQEFTVPGSKSTATISGLKPGVDYT...
7KK8_1_k12
2
-5.8
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s826
P23458
[CH0][Branch2][Ring1][#C][C@H1][CH0][Branch1][C][CH3][=CH1][NH0][Branch1][C][H][CH1][Branch1][=C][NH0][Branch1][#Branch2][CH0][=Branch1][C][=OH0][C@H1][CH2][CH2][Ring1][Ring1][H][NH0][Ring1][#C][H][=CH1][NH0][Branch1][C][H][CH0][=CH0][Ring2][Ring1][=Branch1][CH1][=CH1][CH1][=CH0][Ring1][=Branch1][NH0][Branch2][Ring1][R...
CC1=CNC(NC(=O)C2CC2)N[C@H]1c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12
VdDdPqTqHeFqEeKpRvFqLwKaRfIdRaDwLdGdEdGdHqFfGkKgVkEtLwCtRfYrDcPpEpGpDdNpTpGgEaQiVkAiVkKiSwLtKdPpErSdGdGdNvHlIlAvDlLvKvKvEqIqEvIlLqRvNpLdYdHdEqNqIaVwKhYwKrGhIwCyTeNnGtIiKmLtIiMtEhFdLqPvScGaSfLlKlErYnLlPvKvNqKvNvKpIaNdLpKlQlQlLlKlYaAlVlQsIvClKvGqMlDvYsLcGvSvRqQqYkVdHqRqDaLdAaArRnNqVwLtVdEnSdEsHnQdViKhIrGhDdFrGsLpTmKdAgId...
VDPTHFEKRFLKRIRDLGEGHFGKVELCRYDPEGDNTGEQVAVKSLKPESGGNHIADLKKEIEILRNLYHENIVKYKGICTNGIKLIMEFLPSGSLKEYLPKNKNKINLKQQLKYAVQICKGMDYLGSRQYVHRDLAARNVLVESEHQVKIGDFGLTKAIETDKEYYTVKDDRDSPVFWYAPECLMQSKFYIASDVWSFGVTLHELLTYCDSDSSPMALFLKMIGPTHGQMTVTRLVNTLKEGKRLPCPPNCPDEVYQLMRKCWEFQPSNRTSFQNLIEGFEALLK
6GGH_1_k12
1
-10.4
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s520
Q8GU25
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PTHDVVGVGFGPANLSLAVALEESPAALTSAFFERRASISWHQGMLLPAAKMQVSFLKDLATFRNPASRFSFVSFLHERGRLVRFANNHDFFPTRREFHDYLEWAESKLAHEVSYDSEVTAIRPGPGRPVDSVLVDVSTPEATRTVEARNIVISTGLVPRMPAGVQSDEFVWHSSRFLDHFRDRDPRSLRRVAVAGGGQSAAEIVRFLHDNRPDTVVHAIMPSYGYVVADNTPFANQIFDPAAVDDYFDGSKQAKDAFWRYHRNTNYSVVDDEVIRDLYRRGYDDEVAGAPRLNFVNLAHVVGAKRIADDTRVTVYSMAR...
4TLX_1_k12
1
-10.5
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174
A1DAU0
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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3R0F_2_k12
0
-3.4
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s280
P00509
[OH0][C@@H1][Branch2][Ring1][#C][CH1][NH0][Branch1][C][H][CH1][Branch1][C][CH3][NH0][Branch1][C][H][NH0][Ring1][Branch2][CH0][=CH0][Branch1][C][ClH0][CH1][=CH1][CH0][Branch1][C][ClH0][=CH1][Ring1][Branch2][C@H1][Branch1][Branch1][OH0][CH2][CH1][=OH0][C@@H1][Branch2][Ring2][C][NH0][NH0][Branch1][C][H][NH0][Branch1][C][H...
CC1NC([C@@H]2O[C@@H](CO)[C@H](O)[C@H](N3C=C(c4cc(F)c(Cl)c(F)c4)NN3)[C@H]2OCC=O)N(c2cc(Cl)ccc2Cl)N1
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8ITX_2_k12
1
-9.1
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4369116
P29474
[NH0][Branch1][C][H][CH1][Branch1][=Branch1][NH0][Branch1][C][H][H][NH0][Branch1][C][H][CH0][=Branch1][C][=OH0][CH0][=CH0][Ring1][N][NH0][Branch1][C][H][CH2][C@H1][Branch1][N][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][C][CH3][OH0][H][NH0][Ring1][=C][H]
C[C@H](O)[C@H](O)[C@H]1CNC2=C(N1)C(=O)NC(N)N2
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7TSL_2_k12
1
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1567
P25792
[CH2][Branch1][Ring1][OH0][H][CH2][SH0][H]
OCCS
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APITAYAQQTRGLLGCIITSLTGRDKNQVEGEVQIVSTATQTFLATCINGVCWTVYHGAGTRTIASPKGPVIQMYTNVDQDLVGWPAPQGSRSLTPCTCGSSDLYLVTRHADVIPVRRRGDSRGSLLSPRPISYLKGSSGGPLLCPAGHAVGLFRAAVCTRGVAKAVDFIPVENLETTMRS
2OC7_2_k12
0
-2.2
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174
Q5R9P5
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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5NFP_3_k12
0
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445184
Q9M9S3
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OC[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O
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5VYB_1_k12
0
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439709
Q9Y2T5
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OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O
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6NUN_2_k12
2
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79025
P03367
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OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
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1GUI_1_k12
0
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54535864
P61628
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CCCCCCCCCCCCCCCC(=O)OC[C@@H](CSC[C@H](N)C=O)OC(=O)CCCCCCCCCCCCCCC
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SLSCDASGVCDGRSRSFTSIPSGLTAAMKSLDLSFNKITYIGHGDLRACANLQVLILKSSRINTIEGDAFYSLGSLEHLDLSDNHLSSLSSSWFGPLSSLKYLNLMGNPYQTLGVTSLFPNLTNLQTLRIGNVETFSEIRRIDFAGLTSLNELEIKALSLRNYQSQSLKSIRDIHHLTLHLSESAFLLEIFADILSSVRYLELRDTNLARFQFSPLPVDEVSSPMKKLAFRGSVLTDESFNELLKLLRYILELSEVEFDDCTLNGLGDFNPSESDVVSELGKVETVTIRRLHIPQFYLFYDLSTVYSLLEKVKRITVENS...
2Z82_3_k12
2
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174
P18670
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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4R6R_2_k12
0
-2.4
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753
B2HL06
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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TPDREKALELAVAQIEKSYGKGSVMRLGDEARQPISVIPTGSIALDVALGIGGLPRGRVIEIYGPESSGKTTVALHAVANAQAAGGVAAFIDAEHALDPDYAKKLGVDTDSLLVSQPDTGEQALEIADMLIRSGALDIVVIDSVAALVPRAELEGEHVGLQARLMSQALRKMTGALNNSGTTAIFINQLTGGKALKFYASVRMDVRRVETLKDGTNAVGNRTRVKVVKNKCSPPFKQAEFDILYGKGISREGSLIDMGVDQGLIRKSGAWFTYEGEQLGQGKENARNFLVENADVADEIEKKIKEKLGI
4PQF_2_k12
0
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6503
B2B403
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NC(CO)(CO)CO
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8SNG_1_k12
0
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s647
Q04609
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4DRE_1_k12
1
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447315
344289
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5M9S_1_k12
0
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s701
P08631
[NH0][Branch1][=Branch2][C@][Branch1][C][CH3][Branch1][C][CH3][CH3][CH1][NH0][Branch1][C][H][CH2][NH0][Branch1][C][H][CH1][Branch1][=Branch1][NH0][Branch1][C][H][H][CH0][Ring1][O][=CH0][Branch1][N][CH0][=CH1][CH1][=CH0][Branch1][C][CH3][CH1][=CH1][Ring1][#Branch1][NH0][Ring2][Ring1][=Branch2][H]
Cc1ccc(C2=C3C(N)NCNC3N(C(C)(C)C)N2)cc1
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SGIRIIVVALYDYEAIHHEDLSFQKGDQMVVLEESGEWWKARSLATRKEGYIPSNYVARVDSLETEEWFFKGISRKDAERQLLAPGNMLGSFMIRDSETTKGSYSLSVRDYDPRQGDTVKHYKIRTLDNGGFYISPRSTFSTLQELVDHYKKGNDGLCQKLSVPCMSSKPQKPWEKDAWEIPRESLKLEKKLGAGQFGEVWMATYNKHTKVAVKTMKPGSMSVEAFLAEANVMKTLQHDKLVKLHAVVTKEPIYIITEFMAKGSLLDFLKSDEGSKQPLPKLIDFSAQIAEGMAFIEQRNYIHRDLRAANILVSASLVCK...
1QCF_1_k12
1
-9.1
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445184
435020
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OC[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O
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1LYB_4_k12
0
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90655273
P01857
[CH2][Branch1][#Branch2][CH2][NH0][CH2][CH2][OH0][CH2][CH2][Ring1][=Branch1][S@@][Branch1][Ring1][OH0][H][Branch1][Ring1][OH0][H][OH0][H]
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4BEN_2_k12
0
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445184
P19667
[CH2][C@@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring2][CH2][OH0][H][OH0][Ring1][#C]
OC[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O
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2D04_1_k12
0
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679
P62695
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
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7FY0_2_k12
0
-2
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269450
P20813
[CH2][Branch1][#Branch1][CH2][CH2][CH2][CH2][OH0][H][C@@H1][CH2][CH2][CH2][CH2][CH2][Ring1][=Branch1]
OCCCCCC1CCCCC1
GdKaLaPqPaGwPdRdPaLdPaLqLqGfNcLvLvQqMaDdRlRqGfLdLvKvSrFvLvRvFgRcEvKvYrGnDqVwFhTwVgHqLqGgPpRaPiVaViMeLgCfGaVlEvArIqRcEcAcLfVpDvKvAvEqAwFwSvGfRfGdKdIqAlMlVcDcPvFpFlRvGqYaGaVcInFrAhNdGdNvRlWnKvVvLrRvRvFlSvVlTcTlMlRaDdFqGdMpGpKdRdSgVlEqEvRlIlQlEvElAlQvClLlIlEvEvLqRvKvSvKvGlAdLkMdDqPcTlFlLvFlQlSqIsTlAlNqIsIlCcScIaVaFvGvKgRh...
GKLPPGPRPLPLLGNLLQMDRRGLLKSFLRFREKYGDVFTVHLGPRPVVMLCGVEAIREALVDKAEAFSGRGKIAMVDPFFRGYGVIFANGNRWKVLRRFSVTTMRDFGMGKRSVEERIQEEAQCLIEELRKSKGALMDPTFLFQSITANIICSIVFGKRFHYQDQEFLKMLNLFYQTFSLISSVFGQLFELFSGFLKHFPGAHRQVYKNLQEINAYIGHSVEKHRETLDPSAPRDLIDTYLLHMEKEKSNAHSEFSHQNLNLNTLSLFFAGTETTSTTLRYGFLLMLKYPHVAERVYREIEQVIGPHRPPELHDRAKMP...
4I91_2_k12
2
-5.3
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702
P26368
[OH0][Branch1][C][H][CH2][CH3]
CCO
TdTkCfCaPqSdIpVvAlRvSvNqFlNvVvCcRpLpPvGpTdPdEsAvIvCsAcTvYvTrGvCiIdIdIdPpGdAdTdCdPdGpDrYrAhNd
TTCCPSIVARSNFNVCRLPGTPEAICATYTGCIIIPGATCPGDYAN
1JXT_1_k12
0
-2
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[0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
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[0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
447053
P05164
[CH2][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][C][CH3][OH0][Ring1][=N]
C[C@@H]1OC[C@@H](O)[C@H](O)[C@@H]1O
VdNdClEqTpSdCpVdQpQdPpPqCwFdPwLaKfIdPdPdNpDdPvRpIdKnNpQrAsDdCtIhPgFdFgRqSaCdPfApCdPpGdSdNdIpTdIdRtNaQhIdNdAlLaTdSlFfVlDlApSlMqVaYqGaSrEdEvPvLlAnRvNvLqRaNdMpSvNfQfLlGqLaLgAdVfNdQpRvFfQaDfNvGnRfAtLaLaPhFfDdNdLdHpDpDfPlClLcLlTlNdRvSvAlRrIgPgChFgLrAgGsDdTpRqScSlEqMfPqElLsTvSlMvHnTsLlLlLnRlEqHlNsRvLqAsTvEvLvKcSvLlNpPvRvWhDt...
VNCETSCVQQPPCFPLKIPPNDPRIKNQADCIPFFRSCPACPGSNITIRNQINALTSFVDASMVYGSEEPLARNLRNMSNQLGLLAVNQRFQDNGRALLPFDNLHDDPCLLTNRSARIPCFLAGDTRSSEMPELTSMHTLLLREHNRLATELKSLNPRWDGERLYQEARKIVGAMVQIITYRDYLPLVLGPTAMRKYLPTYRSYNDSVDPRIANVFTNAFRYGHTLIQPFMFRLDNRYQPMEPNPRVPLSRVFFASWRVVLEGGIDPILRGLMATPAKLNRQNQIAVDEIRERLFEQVMRIGLDLPALNMQRSRDHGLPG...
7LAE_5_k12
0
-4.3
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174
P31800
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
GdPdVaWdRpKdHqYeIfTeYeReIaNpNdYdTqPpDlMdNdRpEvDlVvDvYvAlIlRvKvAlFvQvVqWlSvNvVqTfPvLhKdFySdKyIdNhTdGdMdAgDqIeLyVeVeFeAeRaGaAdHdGpDdDpHdAhFdDdGaKpGdGdIdLaAwHaAaFaGePgGdSpGdIsGqGlDyAiHyFgDyEsDnEwFrWeTdTcHaSdGpGtTaNdLsFnLlTvAsVnHcErInGlHrSsLrGpLfGaHaSdScDdPpKlAaVsMrFhPpTdYdAdYdVdDdIpNvTpFrRdLhSdApDvDsIsRvGrIsQvSvLrYgGd
GPVWRKHYITYRINNYTPDMNREDVDYAIRKAFQVWSNVTPLKFSKINTGMADILVVFARGAHGDDHAFDGKGGILAHAFGPGSGIGGDAHFDEDEFWTTHSGGTNLFLTAVHEIGHSLGLGHSSDPKAVMFPTYAYVDINTFRLSADDIRGIQSLYG
5L7F_3_k12
0
-2.1
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174
B1JQ48
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
AdPpQvEvEvWcKlKlHvFaIaHdTdGdEpLpGrScApEsFvAvSvVqMvSvHlTlTvSvAlMvKvSvVlFvEvQpVdNdAfPqYfSpGlMpDdPpKvAvLlEvDvAvIvNvApVdDdLpDdNpKpNpAdPdLsKsSvVvIsDnDvVcAsEvLrVpAvKnNgAhIgFqTpQvHdPlDqCaIfAaHfLlHfTfPdPaLdMpPlAlVvAvAvEvAvMvIlAvAnLlNvQaSfMqDqSdWcDvQrAqSvSvAlTvYvVlEqQqKvVlVqNvWvLlClDvKlYlDqLfSdEpKqAkDgGkIgFkTdSqGaGlTlQvSqNlQlMv...
APQEEWKKHFIHTGELGSAEFASVMSHTTSAMKSVFEQVNAPYSGMDPKALEDAINAVDLDNKNAPLKSVIDDVAELVAKNAIFTQHPDCIAHLHTPPLMPAVAAEAMIAALNQSMDSWDQASSATYVEQKVVNWLCDKYDLSEKADGIFTSGGTQSNQMGLMLARDWIADKLSGHSIQKLGLPDYADKLRIVCSKKSHFTVQKSASWMGLGEKAVMTVDANADGTMDITKLDEVIAQAKAEGLIPFAIVGTAGTTDHGAIDDLDFIADMAVKHDMWMHVDGAYGGALILSSHKSRLKGVERAHSISVDFHKLFYQTISC...
2QMA_1_k12
0
-2.6
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46936292
Q9SQL2
[C@@H1][Branch2][Ring1][Branch1][CH2][OH0][P@@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][OH0][CH2][C@H1][Branch1][Ring2][CH2][OH0][H][OH0][H][Branch2][Ring1][=Branch1][CH2][OH0][CH0][=Branch1][C][=OH0][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3][OH0][CH0][=Branch1][C][=OH0][CH2][CH2][CH...
CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OC[C@@H](O)CO)OC(=O)CCCCCCCCCCCCCCC
EdVaKdIfLaVwDdRfDfPpIdKdTdSdFcEpQvWvAvKqPqGqHpFlSdRpTvIlAsKvGdPfDqTfTcTqWsIvWvNvLsHvAvDcAvHlDvFvDvSnHrTdSvDdLlEqElInSvRlKvVvFvSlAvHvFlGlQvLlSlIvIvFlLlWvLlSlGvMvYlFlHlGcAlRpFpSwNlYlElAlWcLlNlDpPvTlHqIfKaPtSfArQdVaVdWdPdIdVpGnQlEnIqLlNqGpDpVrGdGnGpFgRtGhIhQgIdTqSqGcFvFsQlIvWcRlAqSlGlIhTnShEsLvQvLsYnCvTsAsIvGvAsLnVvFsAsGv...
EVKILVDRDPIKTSFEQWAKPGHFSRTIAKGPDTTTWIWNLHADAHDFDSHTSDLEEISRKVFSAHFGQLSIIFLWLSGMYFHGARFSNYEAWLNDPTHIKPSAQVVWPIVGQEILNGDVGGGFRGIQITSGFFQIWRASGITSELQLYCTAIGALVFAGLMLFAGWFHYHKAAPKLAWFQDVESMLNHHLAGLLGLGSLSWAGHQVHVSLPINQFLNAGVDPKEIPLPHEFILNRDLLAQLYPSFAEGATPFFTLNWSKYADFLTFRGGLDPLTGGLWLTDIAHHHLAIAILFLIAGHMYRTNWGIGHGIKDILEAHKG...
4XK8_3_k12
2
-5.7
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s440
P05798
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1RGE_1_k12
2
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679
P0A2K1
[OH0][=S@][Branch1][C][CH3][CH3]
CS(C)=O
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7KQF_5_k12
0
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s165
P06010
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4IJV_1_k12
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90655273
O94923
[CH2][Branch1][#Branch2][CH2][NH0][CH2][CH2][OH0][CH2][CH2][Ring1][=Branch1][S@][Branch1][Ring1][OH0][H][Branch1][Ring1][OH0][H][OH0][H]
OS(O)(O)CCN1CCOCC1
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6I02_7_k12
0
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11708050
P9WMC1
[C@][Branch1][#Branch2][CH0][Branch1][=Branch1][NH0][Branch1][C][H][H][=OH0][Branch1][=Branch1][NH0][Branch1][C][H][H][CH2][CH2][Ring1][O]
NC(=O)C1(N)CC1
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RTVARDITLLECVGKGRYGEVWRGSWQGENVAVKIFSSRDEKSWFRETELYNTVMLRHENILGFIASDMTSRHSSTQLWLITHYHEMGSLYDYLQLTTLDTVSCLRIVLSIASGLAHLHIEIFGGKPAIAHRDLKSKNILVKKNGQCCIADLGLAVMHRVGTKRYMAPEVLDETIQVDCFDSYKRVDIWAFGLVLWEVARRMVSNGIVEDYKPPFYDVVPNDPSFEDMRKVVCVDQQRPNIPNRWFSDPTLTSLAKLMKECWYQNPSARLTALRIKKTLTKID
5S86_4_k12
0
-3.7
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174
A0A0E4AFG7
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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5CVW_1_k12
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444205
Q16620
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7T72_1_k12
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447053
C3LN54
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C[C@@H]1OC[C@@H](O)[C@H](O)[C@@H]1O
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3PA2_4_k12
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P0DPI1
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
GdSdHpMqPfFqVqNnKdQqFdNaYlKpDdPdVaNaGlVpDqIwAfYfIwKaIaPdNpAqGpQpMdQgPtVaKtAkFgKdIrHhNqKqIeWiVeIgPlEaRaDpTcFgTqNdPvEvEqGnDdLqNdPdPdPdEpAvKvQdVaPlVpSfYdYfDdSsTcYqLsSvTdDsNvEnKsDrNlYqLvKlGlVvTrKqLlFlErRlIlYcSvTfDpLlGsRvMvLlLvTvSlIqVsRlGlIfPfFaWqGpGcSdTpIdDlTqEeLrKhVrIdDqTnNqSwImNwVtIqQhPpDvGrSdYtRdStEgEgLhNaLeVyIeIyGaPhSg...
GSHMPFVNKQFNYKDPVNGVDIAYIKIPNAGQMQPVKAFKIHNKIWVIPERDTFTNPEEGDLNPPPEAKQVPVSYYDSTYLSTDNEKDNYLKGVTKLFERIYSTDLGRMLLTSIVRGIPFWGGSTIDTELKVIDTNSINVIQPDGSYRSEELNLVIIGPSADIIQFECKSFGHEVLNLTRNGYGSTQYIRFSPDFTFGFEESLEVDTNPLLGAGKFATDPAVTLAHELIHAGHRLYGIAINPNRVFKVNTNAYYEMSGLEVSFEELRTFGGHDAKFIDSLQENEFRLYYYNKFKDIASTLNKAKSIVGTTASLQYMKNVF...
4KS6_2_k12
0
-2.9
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174
P12653
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
PdTdLlVlSvLlLlEvVvIlEdPdEdVfLdYaAlGpYdDdSpSvVdPdDdSaTpWlRsIvMlTlTsLlNqMaLvGlGlRvQvMlIvAsAvVlKvWsAqKcAsIrPpGlFsRvNvLfHdLvDvDvQnMvTqLlLcQlYvSlWsMvSlLlMvAlFlAvLqGlWvRvSqYlRvQvSdSpAdNpLwLgCcFsAhPpDnLdIiIcNhEpQvRnMcTpLhPpDcMnYvDqQqCvKvHlMsLpYvVnSnSvElLcHnRvLlQvVdSdYpEsElYsLsClMlKsTvLlLsLsLlSqSkVaPwKpDvGgLgKpSpQrEvLsFsDvEvIv...
PTLVSLLEVIEPEVLYAGYDSSVPDSTWRIMTTLNMLGGRQMIAAVKWAKAIPGFRNLHLDDQMTLLQYSWMSLMAFALGWRSYRQSSANLLCFAPDLIINEQRMTLPDMYDQCKHMLYVSSELHRLQVSYEEYLCMKTLLLLSSVPKDGLKSQELFDEIRMTYIKELGKAIVKREGNSSQNWQRFYQLTKLLDSMHEVVENLLNYCFQTFLDKTMSIEFPEMLAEIITNQIPKYSNGNIKKLLFHQ
6EL6_2_k12
0
-2.9
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8117
O60674
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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KDPQFTNVSVHDPSIVKDGDTYYIFGSHIEAAKSKDLMNWEKFTNGYTTPNNKLYGDLSKNLAGSFKWAGENDADSKGGFAVWAPDVFWNKDYVNEDGTKGAYMIYYSVSSTYIRSAIGYAVSKHIEGPYKYVDTIVYSGFTKEEAYDANSKINKKWTNTNIPKLIEQGKLKGVRADWFHNDGSYNNRDFPNAIDPNLFYDEKGNLWMAYGSWSGGIFVLPMDKTTGKPIYPGKDGKTPDGRLVDRYFGIKIAGGYYQSGEGTYIVYDKNTDYYYLYVTYGWLGADGGYNMRQFRSTSPTGPYVDAKGQSAVLPGEVDNS...
5HO9_2_k12
0
-2.5
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8117
Q58928
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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3I8O_2_k12
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