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
32838
P00698
[CH0][Branch1][=Branch1][NH0][Branch1][C][H][H][=Branch1][=Branch1][=N+1][Branch1][C][H][H][NH0][Branch1][C][H][H]
NC(N)=[NH2+]
KdVaFdGdRlClErLvAlAvAlMlKvRvHlGpLnDaNcYqRvGhYdShLsGlNlWlVsCqAqAlKcFvEpSpNvFrNaTqQqAdTkNdRaNdTpDqGgSwTmDfYhGgIsLnQrIhNtSqRqWeWdCaNdDpGpRgTrPpGpSrRhNhLnClNdIyPhCsSvAvLsLsSdSpDrInTnAsSvVsNvCsAlKsKvIvVcSvDvGpNpGhMvNvAvWrVvAcWsRvNvRpCpKpGpTdDpVsQvAvWsIcRpGpChRdLd
KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL
6A4Q_2_k12
0
-2.6
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145714288
O60885
[CH3][CH0][Branch2][Ring1][Ring1][NH0][CH1][=CH1][SH0][C@H1][Branch1][Branch2][CH0][=CH1][CH1][=CH1][SH0][Ring1][Branch1][CH2][CH2][Ring1][N][=OH0]
CC(=O)N1C=CS[C@H](c2cccs2)CC1
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SMNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEE
6UVM_2_k12
2
-6.1
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145864195
P9WNX1
[NH0][Branch1][C][H][CH0][=Branch1][C][=OH0][CH2][C@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][#Branch2][CH2][CH0][=CH1][CH1][=CH1][CH1][=CH1][Ring1][=Branch1][NH0][Branch1][C][H][CH0][=Branch1][C][=OH0][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][NH0][Branch1][C][H][CH0][=Branch1][C][=OH0][C@@H1][Ring2][Rin...
CC(C)[C@@H]1NC(=O)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)CCCCCCCCCCCNC1=O
GdPdIdPdEfVdLwKdNqYdMpDvApQdYiYwGtEwIkGfIwGaTvPlPtQdCiFfTiVdVdFpDdTpGpSdSdNdLdWdVdPaSaIpHpCdKdLpLpDpIpAvCnWvIpHgHdKhYdNdSlDvKpShSpTfYkVdKdNdGfTdSkFdDkIdHdYdGpSvGgSiLdSiGdYgLdSiQdDtTdVmSgVvPhCsQdGdVdKdVqEpRpQaVdFdGdEdAdTdKdQdPpGdIcTpFpIpAvAdKpFdDdGdIdLqGdMdAaYaPlRqIpSdVdNvNsVgLqPgVrFlDnNsLvMvQvQvKpLvVeDpQfNsIkFkSwFkYaLa...
GPIPEVLKNYMDAQYYGEIGIGTPPQCFTVVFDTGSSNLWVPSIHCKLLDIACWIHHKYNSDKSSTYVKNGTSFDIHYGSGSLSGYLSQDTVSVPCQGVKVERQVFGEATKQPGITFIAAKFDGILGMAYPRISVNNVLPVFDNLMQQKLVDQNIFSFYLSRDPDAQPGGELMLGGTDSKYYKGSLSYLNVTRKAYWQVHLDQVEVASGLTLCKEGCEAIVDTGTSLMVGPVDEVRELQKAIGAVPLIQGEYMIPCEKVSTLPAITLKLGGKGYKLSPEDYTLKVSQAGKTLCLSGFMGMDIPPPSGPLWILGDVFIGRY...
6QCB_2_k12
1
-9.3
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s631
O60885
[NH0][Branch2][Ring2][#Branch2][CH0][=CH0][Branch1][Ring1][OH0][CH3][CH1][=CH0][Branch2][Ring1][#Branch2][CH0][=Branch1][C][=OH0][NH0][CH2][CH2][C@H1][Branch1][N][NH0][CH2][CH2][NH0][Branch1][C][CH3][CH2][CH2][Ring1][#Branch1][CH2][CH2][Ring1][=N][CH1][=CH1][Ring2][Ring1][#Branch1][Branch1][C][H][C@H1][NH0][Branch1][C]...
COc1cc(C(=O)N2CCC(N3CCN(C)CC3)CC2)ccc1N[C@@H]1NC=C2[C@H](N1)N(C(C)C)c1ccccc1C(=O)N2C
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TNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPT
6CD4_2_k12
1
-8.6
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679
Q8JUX6
[OH0][=S@][Branch1][C][CH3][CH3]
CS(C)=O
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GAMAPSYRVKRMDIAKNDEECVVNAANPRGLPGDGVCKAVYKKWPESFKNSATPVGTAKTVMCGTYPVIHAVGPNFSNYTESEGDRELAAAYREVAKEVTRLGVNSVAIPLLSTGVYSGGKDRLTQSLNHLFTAMDSTDADVVIYCRDKEWEKKISEAIQMRT
7H6Z_1_k12
0
-1.7
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s223
P13485
[P@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][Branch2][Branch1][N][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][=C][NH0][CH1][NH0][Branch1][C][H][CH2][NH0][Branch1][C][H][CH0][Branch1][=Branch1][NH0][Branch1][C...
Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@H]1O[C@@H](N3CNC4=C(N)NCNC43)[C@H](O)[C@@H]1O)c1[nH]c(=O)[nH]c(=O)c1N2
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LATTSDHDFSYLSFAYDATDLELEGSYDYVIVGGGTSGCPLAATLSEKYKVLVLERGSLPTAYPNVLTADGFVYNLQQEDDGKTPVERFVSEDGIDNVRGRVLGGTSIINAGVYARANTSIYSASGVDWDMDLVNQTYEWVEDTIVYKPNSQSWQSVTKTAFLEAGVHPNHGFSLDHEEGTRITGSTFDNKGTRHAADELLNKGNSNNLRVGVHASVEKIIFSNAPGLTATGVIYRDSNGTPHQAFVRSKGEVIVSAGTIGTPQLLLLSGVGPESYLSSLNIPVVLSHPYVGQFLHDNPRNFINILPPNPIEPTIVTVLG...
3GDN_1_k12
1
-14.5
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679
P0DTC1
[OH0][=S@][Branch1][C][CH3][CH3]
CS(C)=O
SdGaFdRdKqMdAaFpPdScGvKlVqElGlCqMwVkQwVkTaCaGdThTaTiLaNiGwLgWaLaDfDqVkVtYkCfPfRlHcVsIlCdTdSpEvDqMfLaNpPhNpYsEvDvLsLvIvRpKdSdNqHvNsFiLwViQdAdGpNpVdQtLwRgVfIdGdHwSdMdQqNaCgVmLiKiLtKgVtDpTgAtNrPpKsThPfKaYeKdFfVdRaIdQaPaGlQaTkFwSkVwLqAfCdYaNnGrSgPtSdGdViYgQmCwAtMqRfPnNlFrTwItKqGdSdFhLdNpGrSrCfGqStVwGtFwNdIdDdYvDgCyViSyFtCh...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSSGFRKMAFPSGKVEGCMVQ...
7DK1_2_k12
0
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445184
Q9RHG4
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OC[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O
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1ZHS_4_k12
0
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s752
P9WJM7
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2C27_2_k12
1
-9.2
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4713218
Q51973
[NH0][Branch1][C][H][Branch1][C][H][CH2][SH0][H]
NCS
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2EFB_4_k12
0
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444205
A2QTU5
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6SAV_2_k12
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s763
P9WFT3
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6ORU_1_k12
1
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80308
O94923
[C@H1][Branch1][C][CH3][Branch1][=Branch1][NH0][Branch1][C][H][H][CH2][OH0][H]
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3ABQ_1_k12
0
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s63
P00489
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CC1=C(O)C(C)NC=C1COP(=O)(O)O
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1NOK_1_k12
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679
P05050
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
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4JHT_2_k12
0
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2093
P02699
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2J4Y_3_k12
1
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s714
Q3YUA6
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6HR8_2_k12
1
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753
P29597
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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5C03_1_k12
0
-3.3
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753
P02945
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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7LHJ_3_k12
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311
P50429
[C@@][Branch1][Branch2][CH2][CH0][=Branch1][C][=OH0][OH0][H][Branch1][Branch2][CH2][CH0][=Branch1][C][=OH0][OH0][H][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][OH0][H]
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6B0K_5_k12
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O06834
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6QKY_1_k12
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90655273
Q13164
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OS(O)(O)CCN1CCOCC1
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3M5U_1_k12
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3034794
Q06210
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O=C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)COP(=O)(O)O
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6ZMJ_2_k12
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8189
Q59288
[CH2][Branch1][=Branch1][OH0][CH2][CH2][OH0][CH3][CH2][OH0][CH2][CH2][OH0][CH3]
COCCOCCOCCOC
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STGSATTTPIDSLDDAYITPVQIGTPAQTLNLDFDTGSSDLWVFSSETTASEVDGQTIYTPSKSTTAKLLSGATWSISYGDGSSSSGDVYTDTVSVGGLTVTGQAVESAKKVSSSFTEDSTIDGLLGLAFSTLNTVSPTQQKTFFDNAKASLDSPVFTADLGYHAPGTYNFGFIDTTAYTGSITYTAVSTKQGFWEWTSTGYAVGSGTFKSTSIDGIADTGTTLLYLPATVVSAYWAQVSGAKSSSSVGGYVFPCSATLPSFTFGVGSARIVIPGDYIDFGPISTGSSSCFGGIQSSAGIGINIFGDVALKAAFVVFNGA...
7QM7_2_k12
0
-3.4
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14048888
P42556
[CH2][Branch1][#Branch1][OH0][CH2][CH2][OH0][CH2][CH3][CH2][OH0][CH2][CH2][OH0][CH2][CH3]
CCOCCOCCOCCOCC
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SDLIPAPPLSKVPLQQNFQDNQFHGKWYVVGLAGNRILRDDQHPMNMYATIYELKEDKSYNVTSVISSHKKCEYTIATFVPGSQPGEFTLTSYLVRVVSTDYNQYAVVFFKLAEEFFAITIYGRTKELASELKENFIRFSKSLGLPENHIVFPVPIDQCIDG
3BX8_1_k12
0
-4.3
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679
Q2T4P1
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
SdGaFdRdKqMdAaFdPdScGvKlVfElGlCqMwVkQwVkTaCqGpTpTaTiLaNiGwLgWaLaDfDqVkVtYkCfPfRlHcVnIlCdTdSlEvDcMqLaNpPhNdYsEvDvLsLvIvRvKdSdNqHvNsFiLwViQgAdGdNpVdQtLwRgVfIpGdHwSdMaQqNaCrViLiKiLtKgVtDpTgAtNrPpKsThPfKaYeKdFfVdRaIdQdPfGlQaTkFwSkVwLqAfCdYaNnGsSgPgSdGdViYgQiCwAtMqRfPnNlFrTwIiKqGdSdFhLdNpGrSrCfGqStVwGtFwNdIqDdYpDrCyVtShFtCh...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTF
7GIC_1_k12
0
-2
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753
O46162
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
SdSqCaQdPdGqTdTwFdRdRdDqCpNkTiCwVgCaNhRhDpGrTpNdAiAdCiTdLdRdAdCnLdGdSqScCdQdPdGqTdTwFdRdRdDqCnNwTiCwVgCqNhRrDvGnTpNdAiAdCiTdLdRdApChLd
SSCQPGTTFRRDCNTCVCNRDGTNAACTLRACLGSSCQPGTTFRRDCNTCVCNRDGTNAACTLRACL
7SAP_1_k12
0
-3.3
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s317
A6NGN9
[C@@H1][Branch2][Ring1][Ring1][OH0][CH0][=CH1][CH1][=CH1][CH0][=CH1][CH1][=CH1][NH0][Branch1][C][H][CH1][Ring1][O][Ring1][#Branch1][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][O]
OC[C@H]1O[C@H](OC2=CC=CC3=CC=CNC32)[C@H](O)[C@@H](O)[C@H]1O
FdSwCkNfVfDqGpGdSdStIdGdAaGeTeTdSeVhYeVdNaLwDdPqVeIdQdPqGpQgNkLtVkVaDdLqSlQvHtImSwCdWaNdDpYpGaGpWlYpDwTkDkHkIkNkLwVaQaGpSwAaFfAdGdSpLqQnSvYkKwGkSwLkYaWfNpNnVdTiYaPtFpPpLhTrTgNiTdNhViLdDiIhGrDgKrTpPiMgPrLtPrLiKmLmYiIiTgPqVdGdGfVwVrIaKaAaGpEdVfIgAiRkIiHkMmYwKmIaAiThLpGdSrGsNpPiRhNiFyTiWyNgIyIgSyNrNhSiVhVgMd
FSCNVDGGSSIGAGTTSVYVNLDPVIQPGQNLVVDLSQHISCWNDYGGWYDTDHINLVQGSAFAGSLQSYKGSLYWNNVTYPFPLTTNTNVLDIGDKTPMPLPLKLYITPVGGVVIKAGEVIARIHMYKIATLGSGNPRNFTWNIISNNSVVM
6ARO_1_k12
1
-7.7
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[0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
753
Q84HC8
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
MdLdNdGdIdNqHaLaCeFaSaVaSqNdLaEvDlSqIvEvFcYcEcKqVqLqEvGwEaLwLdVdRdGdRdKfLkAtYwFtNqIgCvGnVhWtVyAmLyNgEyEdIhHdIdPdRlNpEcIlYlQvSdYpTdHaIeAeFdSeVdEaQpKvDcFvEvSvLsLvQvRsLcEvEvNvDvVwHaIwLdKpGdRdEdRdDdVvRlDqCaEdSkItYwFtVaDrPpDrGnHhKiFyEiFhHgShGdTdLpQvDsRvLcNvYcYcRvEpDdKnPpHpMdTdFdYdMdLdNdGdIdNqHeLaCeFdSeVaSqNdLaEvDlSqIvEvFcYc...
MLNGINHLCFSVSNLEDSIEFYEKVLEGELLVRGRKLAYFNICGVWVALNEEIHIPRNEIYQSYTHIAFSVEQKDFESLLQRLEENDVHILKGRERDVRDCESIYFVDPDGHKFEFHSGTLQDRLNYYREDKPHMTFYMLNGINHLCFSVSNLEDSIEFYEKVLEGELLVRGRKLAYFNICGVWVALNEEIHIPRNEIYQSYTHIAFSVEQKDFESLLQRLEENDVHILKGRERDVRDCESIYFVDPDGHKFEFHSGTLQDRLNYYREDKPHMTFY
8G7F_2_k12
0
-3.6
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174
Q02127
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
NdIvLlGfIfTdSdKfKcIlEpNcFvSqDsWsYlTvQvVqIcVvKsSlEvLqIwEdYdYdDpIpSaGqCdYiIdLgRgPpAlAlYvYlIlWvEvClVlQvAvFvFvNvKvEvIvKvKvLvNvVaEeNeSdYdFfPdLqFkVdTaKpNvKlLvEvKlEfFlSpPvEqVwAdWkVdTaKdYdGpDnShNgLdPpEgEiIiAtIgRaPqTdScEpTsIrMvYlSlVcFlPqKvWqIaRaSaYlRvDsLpPwLhKkLyNkQyWwNaTkVgVaRgWrEdFpKpQhPhTdPpFlIqRrTgRrEiFfLtWkQmEkGiHkTiAwHhKp...
NILGITSKKIENFSDWYTQVIVKSELIEYYDISGCYILRPAAYYIWECVQAFFNKEIKKLNVENSYFPLFVTKNKLEKEFSPEVAWVTKYGDSNLPEEIAIRPTSETIMYSVFPKWIRSYRDLPLKLNQWNTVVRWEFKQPTPFIRTREFLWQEGHTAHKNEEEAVKLVFDILDLYRRWYEEYLAVPIIKGIKSEGEKFGGANFTSTAEAFISENGRAIQAATSHYLGTNFAKMFKIEFEDENEVKQYVHQTSWGCTTRSIGIMIMTHGDDKGLVLPPNVSKYKVVIVPIFYKTTDENAIHSYCKDIEKILKNAQINCVY...
7QB7_1_k12
0
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64960
Q9K9B2
[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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PTVVGRIPVLDVRPVVQRGRRPAKAVTGESFEVSATVFREGHDAVGANVVLRDPRGRPGPWTPMRELAPGTDRWGATVTAGETGTWSYTVEAWGDPVTTWRHHARIKIPAGLDTDLVLEEGARLYERAAADVPGREDRRELLAAVDALRDESRPAASRLAAALTPQVDAVLARHPLRDLVTSSDPLPLLVERERALYGAWYEFFPRSEGTPHTPHGTFRTAARRLPAIAAMGFDVVYLPPIHPIGTTHRKGRNNTLSATGDDVGVPWAIGSPEGGHDSIHPALGTLDDFDHFVTEAGKLGLEIALDFALQCSPDHPWVHK...
5LGW_1_k12
0
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s76
Q02127
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Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]1O[C@@H](N3CNC4=C(N)NCNC43)[C@H](O)[C@@H]1O)c1[nH]c(=O)[nH]c(=O)c1N2
GdTdTaKdHeSfKqLeLeIeLeGaSqGePlAlGqYlTlAlAlVvYlAlAlRvAvNvLrQlPyVeLyIeThGaMpEpKhGhGpQpLqTcTlTwTaEdVdEcNpWpPpGpDdPnNdDrLdTgGsPvLnLvMsEvRvMsHvEcHnAsTcKvFsEpThErIyIhFhDwHhIwNdKaVwDdLqQpNdRpPqFtRwLtNdGtDpNvGhEiYyTgChDqAfLyIeIyAaTqGaAwSdAfRdYdLdGpLdPvSlElEvAvFfKdGvRfGfVeSdAaSgAcTsCpDvGlFqFvYaRaNqQwKfVeAeVeIeGaGqGeNqTvArVlEvEs...
GTTKHSKLLILGSGPAGYTAAVYAARANLQPVLITGMEKGGQLTTTTEVENWPGDPNDLTGPLLMERMHEHATKFETEIIFDHINKVDLQNRPFRLNGDNGEYTCDALIIATGASARYLGLPSEEAFKGRGVSASATCDGFFYRNQKVAVIGGGNTAVEEALYLSNIASEVHLIHRRDGFRAEKILIKRLMDKVENGNIILHTNRTLEEVTGDQMGVTGVRLRDTQNSDNIESLDVAGLFVAIGHSPNTAIFEGQLELENGYIKVQSGIHGNATQTSIPGVFAAGDVMDHIYRQAITSAGTGCMAALDAERYLDGLADAK...
1F6M_2_k12
1
-13.2
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225936
Q00022
[CH3][C@@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][C][CH3][OH0][H]
C[C@@H](O)[C@@H](C)O
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5O1L_2_k12
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311
P01901
[C@@][Branch1][Branch2][CH2][CH0][=Branch1][C][=OH0][OH0][H][Branch1][Branch2][CH2][CH0][=Branch1][C][=OH0][OH0][H][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][OH0][H]
O=C(O)CC(O)(CC(=O)O)C(=O)O
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2FQF_1_k12
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753
P16152
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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4HMO_1_k12
0
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156905886
P45481
[CH0][=Branch1][C][=OH0][Branch2][Ring1][=Branch2][NH0][CH2][CH2][C@H1][Branch1][#C][CH0][=CH1][CH0][Branch1][C][ClH0][=CH0][Branch1][C][ClH0][CH1][=CH1][Ring1][Branch2][CH2][CH2][Ring1][=C][CH0][=CH1][CH0][=Branch1][C][=OH0][NH0][Branch1][C][H][CH0][=Branch1][C][=OH0][NH0][Ring1][=Branch2][H]
O=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCC(c2ccc(Cl)c(Cl)c2)CC1
SdGaFdRdKqMdAaFaPdScGvKlVqElGlCqMwVkQwVkTaCaGdTnTaTiLaNiGwLgWaLaDfDqVkVtYkCfPfRlHcVnIlCdTdSpEvDqMqLaNpPhNdYsEvDvLsLvIvRpKdSdNqHvNrFmLwViQdArGpNpVdQtLwRrVfIdGdHwSdMdQqNaCgVmLiKiLtKgVtDdTgAtNrPpKsThPfKaYeKdFfVdRaIdQdPaGlQaTkFwSkVwLqAfCdYaNnGrSgPtSdGdViYgQmCwAtMqRfPpNlFrTwIiKqGdSdFhLdNpGrSrCfGqStVwGtFwNdIdDdYfDrCyViSyFtCh...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ
7RN4_1_k12
1
-9.6
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174
P16201
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
EdEdIdIpWqEqSaLkSeVkDaVkGdSaQdGdNaPqGaIwViEkYmKfGiVaDrTqKnTpGlEhVtLpFdEiRdEdPiIqPgIgGdThNrNlMlGrElFlLlArIvVlHvGvLqRvYvLcKvEvRvNvShRqKhPaIyYeSyDqSdQpTqAnIvKvWcVlKvDvKlKhArKpSdTpLdVdRdNdEpEsTcApLvIsWvKvLsVsDvEvAsEsEvWvLsNvTvHdTdYdEpThPhIyLdKhWdQpTcDvKvWpGnEdIrKsArDdYdGdRdKd
EEIIWESLSVDVGSQGNPGIVEYKGVDTKTGEVLFEREPIPIGTNNMGEFLAIVHGLRYLKERNSRKPIYSDSQTAIKWVKDKKAKSTLVRNEETALIWKLVDEAEEWLNTHTYETPILKWQTDKWGEIKADYGRK
6DP8_1_k12
0
-2.3
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[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
[0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
s743
P14340
[CH2][Branch2][Ring2][Branch1][CH1][Branch1][C][CH3][CH2][CH2][CH2][CH1][Branch1][C][CH3][CH2][CH2][CH0][=CH0][Branch1][C][CH3][CH0][=Branch1][C][=OH0][CH0][Branch1][Ring1][OH0][CH3][=CH0][Branch1][Ring1][OH0][CH3][CH0][Ring1][N][=OH0][CH2][CH2][CH1][Branch1][C][CH3][CH2][CH2][CH2][CH1][Branch1][C][CH3][CH2][CH2][CH1][...
CCCC(C)CCCC(C)=CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCC1=C(C)C(=O)C(OC)=C(OC)C1=O
AdLaLpSpFpEgRpKvYlRlVdPqGdGlTaLpVpGdGgNcLnFqDsFdWaVdGvPvFrYrVqGgFpFlGnVvAlTlFvFvFlAvAvLvGlIvIvLlIlAvWvSlAcVvLvQvGvTdWpNdPlQqLpIrSkVqYaPaPaApLqEvYcGfLpGdGaAdPpLsAnKrGhGnLsWvQvIsIsTvIvCsAvTlGrAnFqVlSsWvAlLsRvElVsEsIvCcRrKsLnGvIhGdYsHvIpPsFvAlFsAvFlAvIsLlAlYlLcTlLqVqLpFlRqPsVvMlMlGrAgWnGnYrAhFfPmYpGgIdWcTrHsLvDvWsVvSvNvTl...
ALLSFERKYRVPGGTLVGGNLFDFWVGPFYVGFFGVATFFFAALGIILIAWSAVLQGTWNPQLISVYPPALEYGLGGAPLAKGGLWQIITICATGAFVSWALREVEICRKLGIGYHIPFAFAFAILAYLTLVLFRPVMMGAWGYAFPYGIWTHLDWVSNTGYTYGNFHYNPAHMIAISFFFTNALALALHGALVLSAANPEKGKEMRTPDHEDTFFRDLVGYSIGTLGIHRLGLLLSLSAVFFSALCMIITGTIWFDQWVDWWQWWVKLPWWANIPGGINGEYQNIFSQVQVRGPADLGMTEDVNLANRSGVGPFSTLLG...
2GNU_3_k12
2
-7
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Q5SJ65
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6OPU_1_k12
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174
P0DOX7
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
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1WEI_1_k12
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767
P00163
[CH0][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][OH0][H]
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2IKC_4_k12
0
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8117
Q58175
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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4N9A_1_k12
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753
Q01063
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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3M7W_2_k12
0
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176
P0DTC1
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
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5M17_4_k12
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5288845
P61823
[CH3][C@@][Branch1][C][CH3][Branch1][Ring1][OH0][H][CH2][C@@H1][Branch1][C][CH3][OH0][H]
C[C@@H](O)CC(C)(C)O
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5EOO_2_k12
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10614514
Q59771
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C[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1N[C@@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O
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2XFF_4_k12
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4UXX_2_k12
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86341347
Q9I685
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8C6Q_1_k12
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s35
Q92835
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4HDG_1_k12
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64960
P0DOX7
[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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3LJF_1_k12
0
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52897232
P0DTC1
[CH2][CH2][C@H1][Branch1][=C][OH0][CH0][=Branch1][C][=OH0][CH2][CH2][CH0][=Branch1][C][=OH0][OH0][H][C@][Branch1][C][CH3][Branch1][C][CH3][C@H1][CH2][CH2][C@][Branch1][C][CH3][C@@H1][Branch1][Branch2][C@@][Ring2][Ring1][=Branch1][Ring1][#Branch1][CH3][CH0][=Branch1][C][=OH0][CH1][=CH0][C@@][Ring1][#Branch2][Branch1][C]...
CC1(C)[C@@H](OC(=O)CCC(=O)O)CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C
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7BYI_2_k12
1
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s564
P0C2U2
[CH2][Branch1][N][CH2][CH2][CH1][=CH1][CH2][CH2][CH1][=CH1][CH2][CH2][CH3][CH2][CH2][CH0][=Branch1][C][=OH0][OH0][CH2][C@H1][Branch1][Ring1][OH0][H][CH2][OH0][H]
CCCC=CCCC=CCCCCCC(=O)OC[C@H](O)CO
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4D2C_2_k12
2
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9912092
Q01063
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7CBQ_2_k12
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s480
Q4VSI4
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5MN4_1_k12
1
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446996
Q6RUF5
[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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4D6J_2_k12
0
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79718
P14941
[CH2][Branch1][N][OH0][CH2][CH2][OH0][CH2][CH2][OH0][CH2][CH2][OH0][H][CH2][OH0][CH2][CH2][OH0][CH2][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCOCCOCCOCCOCCO
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3ZKK_2_k12
0
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5232593
P09960
[NH0][Branch1][C][H][CH2][NH0][Branch1][C][H][CH1][=CH1][Ring1][#Branch1]
C1=CNCN1
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VDTCSLASPASVCRTKHLHLRCSVDFTRRTLTGTAALTVQSQEDNLRSLVLDTKDLTIEKVVINGQEVKYALGERQSYKGSPMEISLPIALSKNQEIVIEISFETSPKSSALQWLTPEQTSGKEHPYLFSQCQAIHCRAILPCQDTPSVKLTYTAEVSVPKELVALMSAIRDGETPDPEDPSRKIYKFIQKVPIPCYLIALVVGALESRQIGPRTLVWSEKEQVEKSAYEFSETESMLKIAEDLGGPYVWGQYDLLVLPPSFPYGGMENPCLTFVTPTLLAGDKSLSNVIAHEISHSWTGNLVTNKTWDHFWLNEGHTVY...
8AWH_3_k12
0
-3.4
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s157
A0A0B4HVU2
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5THK_1_k12
1
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8117
P0AD64
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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5J56_3_k12
0
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s642
P17865
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NC1NC(=O)C2=C(N1)N([C@@H]1O[C@@H](CO[P@@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O)CN2
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2RHO_2_k12
1
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753
A7LXU3
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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5GK5_1_k12
0
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753
P02883
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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5X9L_1_k12
0
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439407
O15530
[CH2][SH0][SH0][CH2][C@H1][Branch1][Ring1][OH0][H][C@H1][Ring1][Branch2][OH0][H]
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174
P0DP02
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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8CDS_2_k12
0
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137322691
P0DTC1
[CH2][Branch2][Ring1][Branch2][C@H1][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@@H1][CH2][C@@H1][Branch1][Ring1][OH0][CH3][OH0][C@H1][Branch1][Ring2][CH2][OH0][H][C@H1][Ring1][O][OH0][H]
CO[C@@H]1C[C@@H](C[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](CO)O1
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TSSTIALSEIVSVVNTSDGRLEVFGVGTDKAVWHNRQMAPHTGSPWSGWSSLKGQVTSKPVVYINTDGRLEVFARGTDNALWHIWQTATNAGWSNWQSLGGVITSNPAIYANTDGRLEVFARGADNALWHISQTTAHSGPWSSWASLNGVITSNPTVHINSDGRLEVFARGTDNALWHIWQTAPDSNLWSSWESLNGIITSDPVVIDTADGRLEVFARGADNALWHIWQTISHSGPWSGWQSLNGVITSAPAVAKNCDNRLEAFARGTDNALWHTWQTVSHSGPWSSWQSLNGVITSAPTAVRDADGRLEVFARGTDNAL...
6FLU_1_k12
2
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s597
A0A0H2XLA2
[CH2][Branch2][Ring1][Ring1][CH2][CH1][NH0][Branch1][C][CH3][CH0][=CH1][CH1][=CH1][CH1][=CH0][Ring1][=Branch1][NH0][Ring1][#Branch2][H][NH0][CH0][=Branch1][C][=OH0][CH0][=CH1][CH1][=CH1][CH1][=CH0][Ring1][=Branch1][OH0][CH2][CH2][Ring1][N]
CN1c2ccccc2NC1CCN1CCOc2ccccc2C1=O
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GLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEE
5SH6_1_k12
1
-9
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s512
Q9Y697
[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][CH1][=CH0][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)C1=CNC2=C(N1)C(=O)NC(N)N2
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RHVRIKNWGSGMTFQDTLHHKAKGILTCRSKSCLGSIMTPKSLTRGPRDKPTPPDELLPQAIEFVNQYYGSFKEAKIEEHLARVEAVTKEIETTGTYQLTGDELIFATKQAWRNAPRCIGRIQWSNLQVFDARSCSTAREMFEHICRHVRYSTNNGNIRSAITVFPQRSDGKHDFRVWNAQLIRYAGYQMPDGSIRGDPANVEITQLCIDLGWKPKYGRFDVLPLVLQANGRDPELFEIPPDLVLEVAMEHPKYEWFRELELKWYALPAVANMLLEVGGLEFPGCPFNGWYMGTEIGVRDFCDVQRYNILEEVGRRMGLE...
3EJ8_2_k12
1
-7.7
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444205
P0A1B9
[CH2][C@H1][Branch1][#Branch2][NH0][Branch1][=Branch1][CH0][=Branch1][C][=OH0][CH3][H][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring2][CH2][OH0][H][OH0][Ring2][Ring1][C]
CC(=O)N[C@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O
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4LQG_1_k12
0
-4.8
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753
Q8JUX6
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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DIFDLRDYYSGASKELKNVTGYRYSKGGKHYLIFDKHQKFTRIQIFGKDIERLKTRKNPGLDIFVVKEAENRNGTVFSYGGVTKKNQGAYYDYLNAPKFVIKKEVDAGVYTHVKRHYIYKEEVSLKELDFKLRQYLIQNFDLYKKFPKDSKIKVIMKDGGYYTFELNKKLQPHRMSDVIDGRNIEKMEANIR
2Z8L_5_k12
0
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753
P33261
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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LPPGPTPLPVIGNILQIDIKDVSKSLTNLSKIYGPVFTLYFGLERMVVLHGYEVVKEALIDLGEEFSGRGHFPLAERANRGFGIVFSNGKRWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFQKRFDYKDQQFLNLMEKLNENIRIVSTPWIQICNNFPTIIDYFPGTHNKLLKNLAFMESDILEKVKEHQESMDINNPRDFIDCFLIKMEKEKQNQQSEFTIENLVITAADLLGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVVGRNRSPCMQDRGHMPYT...
4GQS_2_k12
0
-2.9
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s67
P84751
[C@H1][Branch1][=N][CH2][OH0][P@@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][#Branch1][OH0][CH0][=Branch1][C][=OH0][CH3][C@H1][Branch1][#Branch2][NH0][Branch1][=Branch1][CH0][=Branch1][C][=OH0][CH3][H][C@@H1][Branch1][O][OH0][P@][Branch1][C][OH1][=Branch1][C][=OH0]...
CC(=O)N[C@@H]1[C@@H](OP(=O)(O)O)O[C@@H](COP(=O)(O)O)[C@@H](O)[C@@H]1OC(C)=O
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6Y54_3_k12
2
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s631
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4DQQ_3_k12
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s576
O53512
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CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]1O[C@@H](N2CNC3=C(N)NCNC32)[C@H](O)[C@@H]1OP(=O)(O)O
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2CNS_1_k12
1
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92209481
P42330
[C@@H1][Branch1][N][CH2][OH0][P@@][=Branch1][C][=OH0][Branch1][C][OH1][OH0][H][OH0][C@@H1][Branch2][Ring1][C][NH0][CH0][=Branch1][C][=OH0][NH0][Branch1][C][H][CH0][=Branch1][C][=OH0][CH1][=CH1][Ring1][=Branch2][CH2][C@@H1][Ring2][Ring1][Branch1][OH0][H]
O=c1ccn([C@H]2C[C@H](O)[C@H](COP(=O)(O)O)O2)c(=O)[nH]1
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MKQYLELMQKVLDEGTQKNDRTGTGTLSIFGHQMRFNLQDGFPLVTTKRCHLRSIIHELLWFLQGDTNIAYLHENNVTIWDEWADENGDLGPVYGKQWRAWPTPDGRHIDQITTVLNQLKNDPDSRRIIVSAWNVGELDKMALAPCHAFFQFYVADGKLSCQLYQRSCDVFLGLPFNIASYALLVHMMAQQCDLEVGDFVWTGGDTHLYSNHMDQTHLQLSREPRPLPKLIIKRKPESIFDYRFEDFEIEGYDPHPGIKAPVAIMKQYLELMQKVLDEGTQKNDRTGTGTLSIFGHQMRFNLQDGFPLVTTKRCHLRSII...
1TSD_4_k12
1
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s714
P32608
[CH0][Branch2][Ring1][S][NH0][Branch2][Ring1][O][CH0][=Branch1][C][=OH0][CH0][=CH1][CH1][=CH0][Branch1][=N][CH2][NH0][CH2][CH2][NH0][Branch1][C][CH3][CH2][CH2][Ring1][#Branch1][CH1][=CH1][Ring1][=C][H][=CH1][CH0][Branch2][Ring1][=C][NH0][Branch1][C][H][CH1][NH0][Branch1][C][H][CH2][CH1][=CH0][Branch1][N][CH0][=CH1][NH0...
CN1CCN(Cc2ccc(C(=O)Nc3cccc(NC4NCC=C(C5=CNCC=C5)N4)c3)cc2)CC1
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MVTTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLSTGQTGYIPSNYVAPSDSIQAEEWYFGKITRRESERLLLNAENPRGTFLVRESETTKGAYCLSVSDFDNAKGLNVKHYKIRKLDSGGFYITSRTQFNSLQQLVAYYSKHADGLCHRLTTVCPTSKPQTQGLAKDAWEIPRESLRLEVKLGQGCFGEVWMGTWNGTTRVAIKTLKPGTMSPEAFLQEAQVMKKLRHEKLVQLYAVVSEEPIYIVTEYMSKGSLLDFLKGETGKYLRLPQLVDMAAQIASGMAYVERMNYVHRDLRAANILVGENLVCK...
1Y57_1_k12
1
-9.3
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107689
O23939
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2IMP_1_k12
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90655273
P14340
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7HKH_4_k12
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s299
P14780
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1AXG_1_k12
1
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3054
P07711
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CCC(=C(CC)c1ccc(O)cc1)c1ccc(O)cc1
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1TZ8_2_k12
0
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s430
Q00955
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C[C@H]1CC(=O)NC(=O)N1[C@@H]1O[C@@H](COP(=O)(O)O)[C@@H](O)[C@H]1O
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3WJW_1_k12
1
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s93
Q8C0L6
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Oc1cccc(C2NNC(=S)O2)c1
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CPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTN
4ABQ_1_k12
0
-4.8
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92209481
P12653
[C@@H1][Branch1][N][CH2][OH0][P@@][=Branch1][C][=OH0][Branch1][C][OH1][OH0][H][OH0][C@@H1][Branch2][Ring1][C][NH0][CH0][=Branch1][C][=OH0][NH0][Branch1][C][H][CH0][=Branch1][C][=OH0][CH1][=CH1][Ring1][=Branch2][CH2][C@@H1][Ring2][Ring1][Branch1][OH0][H]
O=c1ccn([C@H]2C[C@H](O)[C@H](COP(=O)(O)O)O2)c(=O)[nH]1
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MRPALYFCGSDRTLYERIVSRLRRFGTVLTGGDRLIHEQDLEWLQQADVVVAEVTQPSLGVGYELGRAVAFNKRILCLFRPQSGRVLSAMIRGAADGSRFQVWDYEEGEVEALLDRYFGMRPALYFCGSIRGGREDRTLYERIVSRLRRFGTVLTGGDRLIHEQDLEWLQQADVVVAEVTQPSLGVGYELGRAVAFNKRILCLFRPQSGRVLSAMIRGAADGSRFQVWDYEEGEVEALLDRYFE
8OSC_1_k12
1
-8.7
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444205
P06756
[CH2][C@H1][Branch1][#Branch2][NH0][Branch1][=Branch1][CH0][=Branch1][C][=OH0][CH3][H][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring2][CH2][OH0][H][OH0][Ring2][Ring1][C]
CC(=O)N[C@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O
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GPNICTTRGVSSCQQCLAVSPMCAWCSDEALPLGSPRCDLKENLLKDNCAPESIEFPVSEARVLEDRPLSDKGSGDSSQVTQVSPQRIALRLRPDDSKNFSIQVRQVEDYPVDIYYLMDLSYSMKDDLWSIQNLGTKLATQMRKLTSNLRIGFGAFVDKPVSPYMYISPPEALENPCYDMKTTCLPMFGYKHVLTLTDQVTRFNEEVKKQSVSRNRDAPEGGFDAIMQATVCDEKIGWRNDASHLLVFTTDAKTHIALDGRLAGIVQPNDGQCHVGSDNHYSASTTMDYPSLGLMTEKLSQKNINLIFAVTENVVNLYQN...
4G1M_1_k12
0
-4.2
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657096
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5E4K_1_k12
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445395
Q88Q83
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2V9C_1_k12
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49866596
A0A516RTC5
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5TA5_3_k12
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6APG_1_k12
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753
P27598
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8R4G_1_k12
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263200
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6CAI_1_k12
0
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174
Q57431
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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7RZP_2_k12
0
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176
P50384
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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3EL0_1_k12
0
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6027
P11838
[C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][CH2][OH0][Ring1][=C]
O[C@@H]1[C@@H](O)[C@@H](O)OC[C@H]1O
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2QZ3_1_k12
0
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174
O13440
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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8G0U_1_k12
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s698
P19821
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NC1NC(=O)C2=C(N1)N([C@@H]1O[C@@H](CO[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O)CN2
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5TC3_1_k12
1
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174
P84751
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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DIVMTQATSSVPVTPGESVSISCRSSKSLLHSNGNTYLYWFLQRPGQSPQLLIYRMSNLASGVPDRFSGSGSGTAFTLTISRLEAEDVGVYYCMQHLEYPLTFGAGTKLELKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNDVQLVESGGGLVQPGGSRKLSCSASGFAFSSFGMHWVRQAPEKGLEWVAYISSGSGTIYYADTVKGRFTISRDDPKNTLFLQMTSLRSEDTAMYYCVRSIYYY...
6QNK_1_k12
0
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753
P35340
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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4O5Q_1_k12
0
-3.5
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