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
753
Q02127
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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2O2R_2_k12
0
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444205
P04058
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CC(=O)N[C@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O
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1JJB_1_k12
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444205
P18670
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1H1B_3_k12
0
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8172
Q9NNX6
[CH2][Branch1][=Branch1][OH0][CH2][CH2][OH0][H][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCO
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2G81_4_k12
0
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176
P01556
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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CSALIKLLPGGHDLLVAHNTWNSYQNMLRIIKKYRLQFREGPQEEYPLVAGNNLVFSSYPGTIFSGDDFYILGSGLVTLETTIGNKNPALWKYVQPQGCVLEWIRNVVANRLALDGATWADVFKRFNSGTYNNQWMIVDYKAFLPNGPSPGSRVLTILEQIPGMVVVADKTAELYKTTYWASYNIPYFETVFNASGLQALVAQYGDWFSYTKNPRAKIFQRDQSLVEDMDAMVRLMRYNDFLHDPLSLCEACNPKPNAENAISARSDLNPANGSYPFQALHQRAHGGIDVKVTSFTLAKYMSMLAASGPTWDQCPPFQWS...
3FGT_2_k12
0
-2.8
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176077
P31751
[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][NH0][Ring1][#C][H]
OC[C@H]1NC[C@H](O)[C@@H](O)[C@H]1O
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LDNGLARTPTMGWLHWERFMCNLDCQEEPDSCISEKLFMEMAELMVSEGWKDAGYEYLCIDDCWMAPQRDSEGRLQADPQRFPHGIRQLANYVHSKGLKLGIYADVGNKTCAGFPGSFGYYDIDAQTFADWGVDLLKFAGCYCDSLENLADGYKHMSLALNRTGRSIVYSCEWPLYMWPFQKPNYTEIRQYCNHWRNFADIDDSWKSIKSILDWTSFNQERIVDVAGPGGWNDPDMLVIGNFGLSWNQQVTQMALWAIMAAPLFMSNDLRHISPQAKALLQDKDVIAINQDPLGKQGYQLRQGDNFEVWERPLSGLAWAV...
3TV8_1_k12
2
-5.4
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92209620
Q6GIK1
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Cc1cn([C@H]2C[C@H](OP(=O)(O)O)[C@H](COP(=O)(O)O)O2)c(=O)[nH]c1=O
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6XSF_1_k12
1
-7.7
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444655
P00760
[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
IdVaGqGfYaTfCcGdAqNlTpVpPqYqQwVkSfLkNdSqGpYhHgFfCeGiGwSgLaIaNfSqQwWkViVkSfAfAqHvCpYdKdSpGwIiQwViRwLgGrEdDfNqIpNvVdVdEpGdNrEiQdFtIfStAwSpKdSkIaVqHdPpSpYqNdSvNvTqLrNdNrDgImMmLmItKtLtKpSdAgAhSdLdNdSsRrVhAdShIfSaLaPdTqSdCaAdSdAfGfTfQkCkLkIaSkGfWqGaNaThKdSqSpGdTgSdYtPdDrVgLmKtCiLdKiAkPtIwLhSdDvSvSlCqKcSvAlYpPpGpQrIdTdSpNqMk...
IVGGYTCGANTVPYQVSLNSGYHFCGGSLINSQWVVSAAHCYKSGIQVRLGEDNINVVEGNEQFISASKSIVHPSYNSNTLNNDIMLIKLKSAASLNSRVASISLPTSCASAGTQCLISGWGNTKSSGTSYPDVLKCLKAPILSDSSCKSAYPGQITSNMFCAGYLEGGKDSCQGDSGGPVVCSGKLQGIVSWGSGCAQKNKPGVYTKVCNYVSWIKQTIASN
9BOK_1_k12
2
-6
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679
Q6HDJ0
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
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MRKIGIIGGTFDPPHYGHLLIANEVYHALNLEEVWFLPNQIPNITSVESRLQMLELATEAEEHFSICLEELSRKGPSYTYDTMLQLTKKYPDVQFHFIIGGDMVEYLPKWYNIEALLDLVTFVGVARPGYKLRTPYPITTVEIPEFAVSSSLLRERYKEKKTCKYLLPEKVQVYIERNGLYERKIGIIGGTFDPPHYGHLLIANEVYHALNLEEVWFLPNQSVESRLQMLELATEAEEHFSICLEELSSYTYDTMLQLTKKYPDVQFHFIIGGDMVEYLPKWYNIEALLDLVTFVGVARPGYKLRTPYPITTVEIPEFAV...
3MMX_3_k12
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s742
Q5IS73
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P19139
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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4BVE_1_k12
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s632
Q9Y2J2
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7L9Y_1_k12
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753
Q05603
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4D3V_1_k12
0
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s415
P46922
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2W08_1_k12
0
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12444980
P26514
[CH2][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring2][CH2][OH0][H][OH0][Ring1][N]
OC[C@@H]1OC[C@H](O)[C@H]1O
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1V6U_2_k12
0
-4.3
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s1094
P18946
[CH0][Branch2][Ring1][=Branch2][OH0][CH2][CH0][=CH0][Branch1][=N][C@@H1][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][CH3][CH2][OH0][CH3][CH1][=CH1][CH1][=CH1][Ring1][=C][=CH0][Branch1][=Branch2][C@@][Branch1][C][FH0][Branch1][C][FH0][FH0][NH0][Branch1][C][H][CH0][=CH0][Branch1][#Branch2][CH1][=CH1][CH0][Branch1][C]...
COC[C@H](C(=O)OC)c1ccccc1COC1=C(C(F)(F)F)Nc2cc(C)ccc2N1
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MAPNIRKSHPLLKMINNSLIDLPAPSNISAWWNFGSLLAVCLMTQILTGLLLAMHYTADTSLAFSSVAHTCRNVQYGWLIRNLHANGASFFFICIFLHIGRGLYYGSYLYKETWNTGVILLLTLMATAFVGYVLPWGQMSFWGATVITNLFSAIPYIGHTLVEWAWGGFSVDNPTLTRFFALHFLLPFAIAGITIIHLTFLHESGSNNPLGISSDSDKIPFHPYYSFKDILGLTLMLTPFLTLALFSPNLLGDPENFTPANPLVTPPHIKPEWYFLFAYAILRSIPNKLGGVLALAASVLILFLIPFLHKSKQRTMTFRP...
3TGU_7_k12
1
-10.7
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s708
Q9M9F1
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O=C1C(c2ccc(O)cc2)=C(N[C@H]2C=CNN2)NC2C(c3ccccc3)=C(c3ccccc3)NN12
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EGTFLFTSESVGEGHPDKICDQISDAVLDAHLQQDPDAKVACETVAKTGMILLAGEITSRAAVDYQKVVREAVKHIGYDDSSKGFDYKTCNVLVALEQQSPDIAQGVHLDRNEEDIGAGDQGLMFGYATDETEECMPLTIVLAHKLNAKLAELRRNGTLPWLRPDSKTQVTVQYMQDRGAVLPIRVHTIVISVQHDEEVCLDEMRDALKEKVIKAVVPAKYLDEDTIYHLQPSGRFVIGGPQGDAGLTGRKIIVDTYGGWGAHGGGAFSGKDYTKVDRSAAYAARWVAKSLVKGGLCRRVLVQVSYAIGVSHPLSISIFH...
7KDB_3_k12
1
-7.8
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148401
190148
[CH1][Branch1][#Branch1][CH2][NH0][Branch1][C][H][H][=CH1][CH2][NH0][Branch1][C][H][H]
NCC=CCN
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SMFVSKRRFILKTCGTTLLLKALVPLLKLARDYSGFDSIQSFFYSRKNFMKPSHQGYPHRNFQEEIEFLNAIFPNGAAYCMGRMNSDCWYLYTLDFSQPDQTLQILMSELDPAVMDQFYMKDGVTAKDVTRESGIRDLIPGSVIDATMFNPCGYSMNGMKSDGTYWTIHITPEPEFSYVSFETNLSQTSYDDLIRKVVEVFKPGKFVTTLFVNQSSKCRTVLASPQKIEGFKRLDCQSAMFNDYNFVFTSFAKKHFFEGTEKLLEVWFSSGDLRTIPRSEWDILLKDVQCSIISVTKTDKQEAYVLSE
3EPA_2_k12
0
-4.3
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753
Q55088
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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3VGF_2_k12
0
-3.7
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80599
P01899
[ClH0][CH0][=CH0][Branch1][Ring1][SH0][H][CH1][=CH1][CH1][=CH1][Ring1][Branch2]
Sc1ccccc1Cl
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QPEPDMITIFIGTWNMGNAPPPKKITSWFLSKGQGKTRDDSADYIPHDIYVIGTQEDPLSEKEWLEILKHSLQEITSVTFKTVAIHTLWNIRIVVLAKPEHENRISHICTDNVKTGIANTLGNKGAVGVSFMFNGTSLGFVNSHLTSGSEKKLRRNQNYMNILRFLALGDKKLSPFNITHRFTHLFWFGDLNYRVDLPTWEAETIIQKIKQQQYADLLSHDQLLTERREQKVFLHFEEEEITFAPTYRFERLTRDKYAYTKQKATGMKYNLPSWCDRVLWKSYPLVHVVCQSYGSTSDIMTSDHSPVFATFEAGVTSQFV...
5RXV_2_k12
0
-2.4
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444205
P29563
[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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AYRIVSETGDKITVELTLANKNTHYVWNGWCFDIKNITFETTGKVLSIKYADGGEPVYNVNGNLVTIDLTWRGIFHLNTTVKIIIEIQKSGDNPYPHNFKIHYLRGESIIYPTIGELPASWKPGNFTLSDLIADPKSYYDPHVKPHQNGFIMYNPPHPTQIIIGLADIDYPLNLASSARMWVPNKYFAMGLALAYEWFKVNPNFLMALAAKENWGTAVTKDPAFKGYKVIIDEEEYYWPVQIDHPDGIFQVESGNFNQIKAYYPDIFPDTADHDDYMKVSLDPNDTAWITSPIVAAVSLTMERELLYAAVGDKYNEFLRL...
5XSW_3_k12
2
-5.8
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273
P11766
[CH2][Branch1][Branch2][CH2][CH2][NH0][Branch1][C][H][H][CH2][CH2][NH0][Branch1][C][H][H]
NCCCCCN
NdEaVkIdKwCfKwAfAfVkAlWaEaAaGpKdPfLtSdItEaEtIkEiVfAgPdPeKaAaHqEkVwRkIwKqIwIfAkTfAwVdCdHpTvDlAnYvTlLnSnGvAlDaPpElGrCdFdPgVaIqLdGgHqElGtAwGtIfVtEcSqVyGhEpGpVdTdKpLdKgAgGgDfTtVkIhPfLaYlIaPfQaCpGcEpCdKpFqCnLvNdPlKqTfNqLrCdQdKqIqRvVvTlQqGsKnGqLhMaPsDvGnTaSaRrFmTdCgKpGrKdTgIhLgHyYhMsGqTpSsTsFrSiEsYmTgVmVgAgDnIrSrViAaKgIaDdPs...
NEVIKCKAAVAWEAGKPLSIEEIEVAPPKAHEVRIKIIATAVCHTDAYTLSGADPEGCFPVILGHEGAGIVESVGEGVTKLKAGDTVIPLYIPQCGECKFCLNPKTNLCQKIRVTQGKGLMPDGTSRFTCKGKTILHYMGTSTFSEYTVVADISVAKIDPLAPLDKVCLLGCGISTGYGAAVNTAKLEPGSVCAVFGLGGVGLAVIMGCKVAGASRIIGVDINKDKFARAKEFGATECINPQDFSKPIQEVLIEMTDGGVDYSFECIGNVKVMRAALEACHKGWGVSVVVGVAASGEEIATRPFQLVTGRTWKGTAFGGW...
3QJ5_2_k12
0
-3.2
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444205
P0A433
[CH2][C@H1][Branch1][#Branch2][NH0][Branch1][C][H][CH0][=Branch1][C][=OH0][CH3][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
DdSvCqMvSpFvQdCdKdRqGqHwIgCwKdAaDdQvQvGrKhPiHdCtVaCgQdDdPlVvTpCdPdPdTaKdPqLqDqQwVfCaGkTpDvNlQaTiYdArShSpCsHnLqFsAsTvKlCrRvLvEpGpTdKdKvGsHvQrLiQdLtDqYaFtGhAhCrKdSdIfPaTaCdTaDlFcElVlIpQpFaPdLpRvMvRvDvWvLvKvNvIlLvMvQcLvYdEvAvNvSdEcVvKcKvIvYcLvDvElKvRvLlLvAvGpDdHcPnIvDcLvLvLcRvDvFvKcKaNdYcHvMgYhVvYlPsVlHvWvQvFvSqEvLlDcQpHv...
DSCMSFQCKRGHICKADQQGKPHCVCQDPVTCPPTKPLDQVCGTDNQTYASSCHLFATKCRLEGTKKGHQLQLDYFGACKSIPTCTDFEVIQFPLRMRDWLKNILMQLYEANSEVKKIYLDEKRLLAGDHPIDLLLRDFKKNYHMYVYPVHWQFSELDQHPMDRVLTHSELAPLRASLVPMEHCITRFFEECDPNKDKHITLKEWGHCFGIKEEDIDENLL
7KBU_2_k12
0
-4.3
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s47
P0A9P4
[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][...
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
GdTdTeKaHeSfKqLeLeIeLeGaSqGePlAlGrYlTlAlAlVlYlAlAlRvAvNvLrQqPyVeLyIaThGaMpEdKrGhGpQpLqTvTlTeTaEdVfEcNpWdPpGpDdPnNdDdLdTgGsPvLnLvMsEvRvMsHvEvHsAnTvKvFsEpTrEhIyIhFhDwHhIfNdKaVwDdLqQpNdRpPqFtRwLtNaGtDdNvGgEiYyTtCyDqAfLyIeIyAaThGaAwSaAdRdYfLpGpLdPpSqElEvAvFfKrGnRqGfVeSaAaCdAcTvCgDcGlFlFvYqRfNqQfKfVeAeVeIeGaGaGeNaTqArVlEvEs...
GTTKHSKLLILGSGPAGYTAAVYAARANLQPVLITGMEKGGQLTTTTEVENWPGDPNDLTGPLLMERMHEHATKFETEIIFDHINKVDLQNRPFRLNGDNGEYTCDALIIATGASARYLGLPSEEAFKGRGVSACATCDGFFYRNQKVAVIGGGNTAVEEALYLSNIASEVHLIHRRDGFRAEKILIKRLMDKVENGNIILHTNRTLEEVTGDQMGVTGVRLRDTQNSDNIESLDVAGLFVAIGHSPNTAIFEGQLELENGYIKVQSGIHGNATQTSIPGVFAAGDVMDHIYRQAITSAGTGCMAALDAERYLDGLA
1CL0_1_k12
1
-11.6
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s591
P21836
[C@@H1][Branch1][N][CH2][OH0][P@@][=Branch1][C][=OH0][Branch1][C][OH1][OH0][H][OH0][C@@H1][Branch2][Ring1][#Branch2][NH0][CH0][=CH0][Branch1][=C][CH0][=Branch1][C][=OH0][NH0][Branch1][C][H][CH2][NH0][Ring1][Branch2][H][NH0][Branch1][C][H][CH2][Ring1][=N][C@H1][Branch1][Ring1][OH0][H][C@@H1][Ring2][Ring1][O][OH0][H]
O=C1NCNC2=C1NCN2[C@@H]1O[C@@H](COP(=O)(O)O)[C@@H](O)[C@H]1O
VdPvTvGdGdDdDdPpTcKpIpApMdLdGfLaTaFlDvDqVwLaLfLaPfAdAdSaDpVaLaPlAvNqAfDqTqSwSfQdLpTfKlKpIdRiLwKsVhPqLeVeSaSdAqMdDqTlVfTdEfAlRlMnAqIlAvMqAqRvAlGgGhMgGyVeLhHhRdNlLdPdVlAvErQnAlAvQrVlElTvVsKvRvSvGdGpLgLaVyGeAyAeVfGeVlGdDpDcArWvEvRsAvMvAsLnRvDvAsGpVhDaVeLyVeVhDdTdAlHaAcHqNdRvKsVnLlDqMvVqHlRvLcKcTvTpVvGvDvErIhEaVyVeGyGdNdVd...
VPTGGDDPTKIAMLGLTFDDVLLLPAASDVLPANADTSSQLTKKIRLKVPLVSSAMDTVTEARMAIAMARAGGMGVLHRNLPVAEQAAQVETVKRSGGLLVGAAVGVGDDAWERAMALRDAGVDVLVVDTAHAHNRKVLDMVHRLKTTVGDEIEVVGGNVATRAAAAALVEAGADAVKVGVGPGSICTTRVVAGVGAPQITAILEAVAACAPHGVPVIADGGLQYSGDIAKALAAGASTAMLGSLLAGTAESPGELILVNGKQFKSYRGMGSLGAMQLVPEGIEGRVPFRGPLSTVIHQLVGGLRAAMGYTGSATIEELQ...
6D4T_1_k12
1
-8.5
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135
P26602
[CH0][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][=CH1][CH1][=CH0][Branch1][Ring1][OH0][H][CH1][=CH1][Ring1][N]
O=C(O)c1ccc(O)cc1
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SHPALTQLRALRYSKEIPALDPQLLDWLLLEDSMTKRFEQQGKTVSVTMIREGFVEQNEIPEELPLLPKESRYWLREILLSADGEPWLAGRTVVPVSTLSGPELALQKLGKTPLGRYLFTSSTLTRDFIEIGRDAGLWGRRSRLRLSGKPLLLTELFLPASPLY
1TT8_1_k12
2
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s40
Q04542
[NH0][Branch1][C][H][CH1][Branch1][C][CH3][CH0][Branch1][Ring1][OH0][H][=CH0][Branch1][C][CH3][CH0][Branch1][N][CH2][OH0][P@][Branch1][C][OH1][=Branch1][C][=OH0][OH0][H][=CH1][Ring2][Ring1][C]
CC1=C(O)C(C)NC=C1COP(=O)(O)O
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1LW4_2_k12
2
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15906
P00720
[SH0][Branch1][Branch1][CH2][CH2][OH0][H][SH0][CH2][CH2][OH0][H]
OCCSSCCO
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MNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNTNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRAAAINLVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVITTFRTGTWDAYKNL
3DKE_1_k12
0
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s50
P24093
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O=C(N[C@@H]1CCCN(C2NCNc3[nH]ccc32)C1)[C@H](Nc1cc(F)cc(Cl)c1)C1CC1
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YGSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMDEE
7N4Q_1_k12
1
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s1044
P70790
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N[C@@H]1NC(=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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1Z2B_3_k12
1
-8.4
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s440
O95831
[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][...
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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PSHVPFLLIGGGTAAFAAARSIRARDPGARVLIVSEDPELPYMRPPLSKELWFSDDPNVTKTLRFKQKERSIYFQPPSFYVSAQDLPHIENGGVAVLTGKKVVQLDVRDNMVKLNDGSQITYEKCLIATGGTPRSLSAIDRAGAEVKSRTTLFRKIGDFRSLEKISREVKSITIIGGGFLGSELACALGRKARALGTEVIQLFPEKGNMGKILPEYLSNWTMEKVRREGVKVMPNAIVQSVGVSSGKLLIKLKDGRKVETDHIVAAVGLEPNVELAKTGGLEIDSDFGGFRVNAELQARSNIWVAGDAACFYDIKLGRRR...
8D3G_2_k12
1
-13.1
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s734
P05164
[CH1][=CH0][Branch2][Ring1][Branch1][C@@H1][Branch1][=Branch2][CH0][=CH1][CH1][=CH1][CH1][=CH1][Ring1][=Branch1][CH2][CH0][=CH1][CH1][=CH1][CH1][=CH1][Ring1][=Branch1][CH0][=CH0][Branch1][=C][NH0][Branch1][C][H][CH1][Ring2][Ring1][Branch1][NH0][Branch1][C][H][H][NH0][Branch1][C][H][NH0][Branch1][C][H][NH0][Ring1][=N][H...
NC1C=C([C@H](Cc2ccccc2)c2ccccc2)C2=C(NNN2)N1
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CPEQDKYRTITGMCNNRRSPTLGASNRAFVRWLPAEYEDGFSLPYGWTPGVKRNGFPVALARAVSNEIVRFPTDQLTPDQERSLMFMQWGQLLDHDLDFTPEPVNCETSCVQQPPCFPLKIPPNDPRIKNQADCIPFFRSCPACPGSNITIRNQINALTSFVDASMVYGSEEPLARNLRNMSNQLGLLAVNQRFQDNGRALLPFDNLHDDPCLLTNRSARIPCFLAGDTRSSEMPELTSMHTLLLREHNRLATELKSLNPRWDGERLYQEARKIVGAMVQIITYRDYLPLVLGPTAMRKYLPTYRSYNDSVDPRIANVFT...
6WXZ_4_k12
1
-8.6
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155803910
Q8P8J2
[NH0][Branch1][C][H][CH0][Branch2][Ring1][Ring2][CH2][C@@H1][NH0][Branch1][C][H][CH0][=Branch1][C][=OH0][C@H1][Branch1][C][CH3][C@H1][Ring1][Branch2][CH2][CH3][=CH0][Branch1][C][CH3][CH0][Branch1][=Branch2][CH2][CH2][CH0][=Branch1][C][=OH0][OH0][H][=CH0][Ring2][Ring1][Branch2][CH2][CH0][=CH0][Branch1][=Branch2][CH2][CH...
C=CC1=C(C)[C@@H](Cc2[nH]c(Cc3[nH]c(C[C@@H]4NC(=O)[C@H](C)[C@H]4CC)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O
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AMDKSAKAPQITIFDHRGCSRAPKESTGGKAGGQDDEMMVKVASTKVTVSESDAAKKLQEFITFEKGIDGPFTSKNDAFSRVVAAYVGGADLQALKKFISEGNKRLDSVNSIVSNASCIVSDAVSGMICENPSLISPSGNCYTNRRMAACLRDGEIILRYVSYALLSGDASVLEDRCLNGLKETYSSLGVPANSNARAVSIMKACAVAFVNNTASQKKLSTPQGDCSGLASEVGGYFDKVTAAIS
1QGW_2_k12
1
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439407
P29476
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5TIM_1_k12
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s709
P11609
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3GMP_2_k12
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311
Q9Y251
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3V8P_1_k12
2
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131706840
P29474
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4XJE_3_k12
1
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8172
P0CE82
[CH2][Branch1][=Branch1][OH0][CH2][CH2][OH0][H][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCO
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4XJL_4_k12
0
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s689
172788
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7O2V_1_k12
1
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753
P0A2K1
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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7D5V_2_k12
0
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s38
P54692
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O=CCCCCCNC[C@@H]1NC(=O)C2SC3=CC(Br)=CNC3=C2N1
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SMLLSKINSLAHLRASQYQVGPLLGSGGFGSVYSGIRVSDNLPVAIKHVEKDRISDWGELPNGTRVPMEVVLLKKVSSGFSGVIRLLDWFERPDSFVLILERPEPVQDLFDFITERGALQEELARSFFWQVLEAVRHCHNCGVLHRDIKDENILIDLNRGELKLIDFGSGALLKDTVYTDFDGTRVYSPPEWIRYHRYHGRSAAVWSLGILLYDMVCGDIPFEHDEEIIGGQVFFRQRVSSECQHLIRWCLALRPSDRPTFEEIQNHPWMQDVLLPQETAEIHLHRRRRRRK
7OOX_1_k12
2
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LVPRGSHMEGKKILVTGGTGQVARPVAEALAERNEVWCLGRFGTPGVEKELNDRGITTFHWDMDDPGAAAYEGLPDDFTHVLHSAVRRGEDGDVNAAVEVNSVACGRLMTHCRGAEAFLFVSTGALYKRQTLDHAYTEDDPVDGVADWLPAYPVGKIAAEGAVRAFAQVLNLPTTIARLNIAYGPGGYGGVPMLYFKRMLAGEPIPVPKEGQNWCSLLHTDDLVAHVPRLWEAAATPATLVNWGGDEAVGITDCVRYLEELTGVRARLVPSEVTRETYRFDPTRRREITGPCRVPWREGVRRTLQALHPEHLP
6ND7_3_k12
1
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5232593
P00742
[NH0][Branch1][C][H][CH2][NH0][Branch1][C][H][CH1][=CH1][Ring1][#Branch1]
C1=CNCN1
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1YXX_1_k12
0
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176
P42556
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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6TBX_2_k12
0
-2.2
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767
Q8BHN3
[CH0][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][OH0][H]
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3K7J_1_k12
0
-3.3
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s119
P00760
[C@H1][Branch2][Ring1][C][NH0][NH1][NH0][Branch1][C][H][CH0][Branch1][=Branch1][C@H1][CH2][CH2][Ring1][Ring1][=CH1][Ring1][=Branch2][CH2][NH0][Branch2][Ring1][N][CH0][=Branch1][C][=OH0][CH0][=CH1][CH1][=CH0][Branch1][=C][C@H1][Branch1][=Branch1][NH0][Branch1][C][H][H][NH0][Branch1][C][H][H][CH1][=CH1][Ring1][=N][C@H1][...
NC(N)c1ccc(C(=O)N2C[C@H](N3C=C(C4CC4)NN3)C[C@H]2C(=O)NCC(c2ccccc2)c2ccccc2)cc1
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5LH4_1_k12
1
-10
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753
Q8CPI3
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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5EF8_1_k12
0
-3.3
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5288834
Q9UDR5
[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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MLKKKQLTVLDLHPGAGKTRRVLPEIVREAIKKRLRTVILAPTRVVAAEMEEALRGLPVRYMTTAVNVTHSGTEIVDLMCHATFTSRLLQPIRVPNYNLNIMDEAHFTDPSSIAARGYISTRVEMGEAAAIFMTATPPGTRDAFPDSNSPIMDTEVEVPERAWSSGFDWVTDHSGKTVWFVPSVRNGNEIAACLTKAGKRVIQLSRKTFETEFQKTKNQEWDFVITTDISEMGANFKADRVIDSRRCLKPVILDGERVILAGPMPVTHASAAQRRGRIGRNPNKPGDEYMYGGGCAETDEGHAHWLEARMLLDNIYLQDG...
5RHQ_3_k12
0
-3.7
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65359
P17202
[SH0][Branch2][Ring2][=N][CH2][C@@H1][Branch1][S][CH0][=Branch1][C][=OH0][NH0][Branch1][C][H][CH2][CH0][=Branch1][C][=OH0][OH0][H][NH0][Branch2][Ring1][Branch1][CH0][=Branch1][C][=OH0][CH2][CH2][C@@H1][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][NH0][Branch1][C][H][H][H][SH0][CH2][C@H1][Branch2][Ring1][#Branch2]...
N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O
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MPPYTVVYFPVRGRCAALRMLLADQGQSWKEEVVTVETWQEGSLKASCLYGQLPKFQDGDLTLYQSNTILRHLGRTLGLYGKDQQEAALVDMVNDGVEDLRCKYISLIYTNYEAGKDDYVKALPGQLKPFETLLSQNQGGKTFIVGDQISFADYNLLDLLLIHEVLAPGCLDAFPLLSAYVGRLSARPKLKAFLASPEYVNLPINGNGKQPPYTVVYFPVRGRCAALRMLLADQGQSWKEEVVTVETWQEGSLKASCLYGQLPKFQDGDLTLYQSNTILRHLGRTLGLYGKDQQEAALVDMVNDGVEDLRCKYISLIYTN...
6AP9_4_k12
2
-6.7
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5288834
P15207
[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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STAGKVIKCKAAVLWEEKKPFSIEEVEVAPPKAHEVRIKMVATGICRSDDHVVSGTLVTPLPVIAGHEAAGIVESIGEGVTTVRPGDKVIPLFTPQCGKCRVCKHPEGNFCLKNDLSMPRGTMQDGTSRFTCRGKPIHHFLGTSTFSQYTVVDEISVAKIDAASPLEKVCLIGCGFSTGYGSAVKVAKVTQGSTCAVFGLGGVGLSVIMGCKAAGAARIIGVDINKDKFAKAKEVGATECVNPQDYKKPIQEVLTEMSNGGVDFSFEVIGRLDTMVTALSCCQEAYGVSVIVGVPPDSQNLSMNPMLLLSGRTWKGAIFG...
5ADH_2_k12
0
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174
P11278
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
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P53812
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
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4OJ9_2_k12
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311
P42556
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7KJH_1_k12
2
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753
P29894
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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5ZYL_2_k12
0
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6503
P84751
[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
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VKLVESGGGLVKLGGSLKLSCAASGFTFSSYYMSWVRQTPEKRLELVAAINSNGGNTYYPDTVKGLFTISRDNAKNTLYLQMSRLKSEDTALYYCTRLYGNYVRIHTMDYWGQGTSVTVSSAKTTPPSVYPLAPGSSVTLGCLVKGYFPESVTVTWNSSSVHTFPALLQSGLYTMSSSVTVPSSTWPSETVTCSVAHPASSTTVDKKL
4ODW_1_k12
0
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5FXX_1_k12
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7013169
P70206
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2PU2_1_k12
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s948
Q58DS9
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3CLV_1_k12
1
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155815
Q9I834
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CCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc2n1Cc1ccccc1
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SLFELGKMILQETGKNPAKSYGVYGCNCGVGGRGKPKDATDRCCYVHKCCYKKLTGCDPKKDRYSYSWKDKTIVCGENNSCLKELCECDKAVAICLRENLDTYNKKYRYNYLKPFCKKADPCSLFELGKMILQETGKNPAKSYGVYGCNCGVGGRGKPKDATDRCCYVHKCCYKKLTGCDPKKDRYSYSWKDKTIVCGENNSCLKELCECDKAVAICLRENLDTYNKKYRYNYLKPFCKKADPC
6PWH_1_k12
1
-8.9
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5035
P50225
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O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12
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7KBS_1_k12
1
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s541
Q9W0Y8
[CH2][Branch2][Ring1][C][C@H1][Branch1][=N][CH2][OH0][P@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][OH0][CH3][OH0][H][OH0][C@H1][Branch1][Ring1][OH0][H][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3]
CCCCCCCC[C@@H](O)OC[C@@H](O)CO[P@](=O)(O)OC
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MYLRITNIVESSFFTKFIIYLIVLNGITMGLETSKTFMQSFGVYTTLFNQIVITIFTIEIILRIYVHRISFFKDPWSLFDFFVVAISLVPTSSGFEILRVLRVLRLFRLVTAVPQMRKIVSALISVIPGMLSVIALMTLFFYIFAIMATQLFGERFPEWFGTLGESFYTLFQVMTLDDWSNGIVRPLMEVYPYAWVFFIPFIFVVTFVMINLVVAIIVDAMAILNQKEEQHIIDEVQSHEDNINNEIIKLREEIVELKELIMYLRITNIVESSFFTKFIIYLIVLNGITMGLETSKTFMQSFGVYTTLFNQIVITIFTIE...
6JUH_2_k12
2
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101392
Q6XV27
[CH0][Branch1][Ring2][CH2][OH0][H][=Branch1][Ring1][=CH0][=OH0][OH0][H]
O=C=C(O)CO
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RTFLNLTKPLCEVNSWHILSKDNAIRIGEDAHILVTREPYLSCDPQGCRMFALSQGTTLRGRHANGTIHDRSPFRALISWEMGQAPSPYNTRVECIGWSSTSCHDGMSRMSICMSGPNNNASAVVWYGGRPITEIPSWAGNILRTQESECVCHKGVCPVVMTDGPANNRAATKIIYFKEGKIQKIEELAGNAQHIEECSCYGAGGVIKCICRDNWKGANRPVITIDPEMMTHTSKYLCSKVLTDTSRPNDPTNGNCDAPITGGSPDPGVKGFAFLDGENSWLGRTISKDSRSGYEMLKVPNAETDIQSGPISNQVIVNNQ...
1W20_4_k12
0
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6027
Q8DIQ1
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O[C@@H]1[C@@H](O)[C@@H](O)OC[C@H]1O
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3MUI_1_k12
2
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753
P00698
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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6A4Q_1_k12
0
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s77
Q5REY6
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3HY3_1_k12
1
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174
P00760
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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4WTJ_2_k12
0
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7456
P18654
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COC(=O)c1ccc(O)cc1
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7H8W_2_k12
2
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90448
Q02127
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O=C(O)Cn1ccc2ccccc21
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7YYC_1_k12
2
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176
Q7N562
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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1T3P_1_k12
0
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440552
P56950
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1LU2_1_k12
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174
720629
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
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5FSE_1_k12
0
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s672
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7VJ8_1_k12
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s629
Q03111
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8PJI_3_k12
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12374
P79483
[CH2][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][CH2][OH0][H]
OCCCCCCO
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6AY1_3_k12
0
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176
Q05266
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5CAX_1_k12
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s428
Q58F21
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5WGZ_2_k12
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174
P29466
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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5HPI_1_k12
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s258
C0HK20
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7XUC_3_k12
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-7.8
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753
A6TG68
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
HdHdHdMdLqTdNlWfNqYlQlLpTkHaFwVdTdSkAdPqDaIpRvHpLdPdAdDlTfGaIaEeVeAeFeAeGeRaSpNpAlGcKgSqSlAlLsNcTlLlTnNvQhKdNgLrAqRpTpSvThQqLmIwNtLwFiEdVsAdEvGrKyRiLyViDyLgPdGyYaGdYdApQpVdPdEpEvMvKnIvKvWsQvRvArLlGlEcYcLlEqKpRrLpCrLyKaGaLyVeVyLgMgDaIlRvHdPpLdKdDdLcDrQvQvMnIlEqWsAnVvEvSnDqIhQaVyLeVyLeLnTeKpAlDvKvLdAdSpGvAvRsKvAvQsVqNvMv...
HHHMLTNWNYQLTHFVTSAPDIRHLPADTGIEVAFAGRSNAGKSSALNTLTNQKNLARTSTQLINLFEVAEGKRLVDLPGYGYAQVPEEMKIKWQRALGEYLEKRLCLKGLVVLMDIRHPLKDLDQQMIEWAVESDIQVLVLLTKADKLASGARKAQVNMVREAVLAFNGDVQVEPFSSLKKSGVDKLRQKLDSWFNEIPPQEAHHMLTNWNYQLTHFVTSAPDIRHLPADTGIEVAFAGRSNAGKSSALNTLTNQKNLARTSQLINLFEVAEGKRLVDLPGYGYAQVPEEMKIKWQRALGEYLEKRLCLKGLVVLMDIR...
7SZS_1_k12
0
-3.9
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679
P30822
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
SdMlElGpIcLvDvFvSvNdDqLhDdIqAvLsLlDvQvVlVqScTcFcYpQpGnEdGdVpQsQvKvQvAsQvEvIsLlTvKsFlQlDpNpPlDcAnWlEvKcVlDvQvInLlQpFpShTpNdPlQsSsKnFlIsAnLlSvIsLvDlKlLcIlTqRfKaWvKvLvLdPdNpDvHvRlIvGvIvRlNvFsVlVvGvMsIlIvSvMlClQvDpDvEvVsFlKvTpQvKvNvLsIsNlKsSsDlLlTsLnVlQsIsLcKlQvEqWpPpQvNnWpPvEcFvIvPvEvLlIlGvSvSlSvSvSdVvNsVsCvElNsNsMlIsVsLl...
SMEGILDFSNDLDIALLDQVVSTFYQGEGVQQKQAQEILTKFQDNPDAWEKVDQILQFSTNPQSKFIALSILDKLITRKWKLLPNDHRIGIRNFVVGMIISMCQDDEVFKTQKNLINKSDLTLVQILKQEWPQNWPEFIPELIGSSSSSVNVCENNMIVLKLLSEEVFDFSAEQMTQAKALHLKNSMSKEFEQIFKLCFQVLEQGSSSSLIVATLESLLRYLHWIPYRYIYETNILELLSTKFMTSPDTRAITLKCLTEVSNLKIPQDNDLIKRQTVLFFQNTLQQIATSVMPVTADLKATYANANGNDQSFLQDLAMFL...
8HQ3_1_k12
0
-2.3
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444205
Q04609
[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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6ETY_1_k12
0
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753
P05979
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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7M5H_2_k12
0
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444205
Q92SA6
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CC(=O)N[C@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O
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3HS7_2_k12
2
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s1073
P06276
[NH0][Branch1][C][H][CH2][CH0][Branch1][N][CH2][OH0][P@@][Branch1][C][OH1][=Branch1][C][=OH0][OH0][H][=CH0][Branch2][Ring1][Branch1][CH2][NH0][Branch1][C][H][C@@][Branch1][C][CH3][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][CH2][OH0][H][CH0][Branch1][Ring1][OH0][H][=CH0][Ring2][Ring1][N][CH3]
CC1=C(O)C(CN[C@](C)(CO)C(=O)O)=C(COP(=O)(O)O)CN1
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8IYT_2_k12
2
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753
P94968
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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AAPANAVTADDPTAIALKYNQDATKSERVAAARPGLPPEEQHCANCQFMQANVGEGDWKGCQLFPGKLINVNGWCASWTLKAG
7VOS_1_k12
0
-1.9
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8841871
P00968
[NH0][Branch1][C][H][Branch2][Ring1][=Branch1][S@][=Branch1][C][=OH0][=Branch1][C][=OH0][CH0][=CH1][CH1][=CH0][Branch1][C][FH0][CH0][Branch1][C][ClH0][=CH1][Ring1][Branch2][CH0][=CH1][CH0][Branch1][=Branch2][NH0][CH2][CH2][CH2][CH0][Ring1][Branch1][=OH0][=CH1][CH1][=CH1][Ring1][N]
O=C1CCCN1c1cccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)c1
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5TI4_2_k12
1
-8.5
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753
Q04609
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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6SKH_2_k12
0
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s227
P22303
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1BQ6_1_k12
2
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16122639
P59322
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CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2c1CC(C)(C)CC2
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2UYM_1_k12
1
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27516341
Q8WWQ0
[CH0][Branch2][Ring1][Branch1][NH0][Branch1][C][H][CH2][CH0][=CH1][CH0][=CH0][Branch1][=Branch1][OH0][CH2][OH0][Ring1][Branch1][CH1][=CH1][Ring1][=Branch2][=Branch1][C][=OH0][NH0][CH2][CH2][NH0][Branch1][N][CH0][=Branch1][C][=OH0][CH0][=CH1][CH1][=CH1][OH0][Ring1][Branch1][CH2][CH2][Ring1][=N]
O=C(NCc1ccc2c(c1)OCO2)N1CCN(C(=O)c2ccco2)CC1
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SYDIQAWKKQCEELLNLIFQCEDSEPFRQPVDLLEYPDYRDIIDTPMDFATVRETLEAGNYESPMELCKDVRLIFSNSKAYTPSKRSRIYSMSLRLSAFFEEHISSVLSDYKSALRFHKR
7FVI_1_k12
1
-8.5
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6503
P68400
[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
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NDIDETAATIDTARALLKSFGFEAQRHNVRSAVTLLALAGLKPGDHWADSTTPRLGVQKIMDWSGAYWAKPYATGSREDFRKKTLRQWVDNGFAVLNPDNLNIATNSQLNEYCLSDEAAQAIRSYGTDAFESALVDFLSKASDTVRARAEALRAAMISVDLADGDEFLLSPAGQNPLLKKMVEEFMPRFAPGAKVLYIGDTRGKHTRFEKRIFEETLGLTFDPHGRMPDLVLHDKVRKWLFLMEAVKSKGPFDEERHRTLRELFATPVAGLVFVNCFENREAMRQWLPELAWETEAWVADDPDHLIHLNGSRFLGPYER
2IXS_2_k12
0
-3.6
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679
P0DTC1
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
SdGaFdRdKqMdAaFpPdScGpKlVqElGlCqMwVkQwVkTaCaGdThTaTiLaNiGwLgWaLaDfDqVkVtYkCfPfRlHcVsIlCdTdSpEvDcMqLqNpPhNpYsEvDvLsLcIvRvKdSdNqHvNrFiLwViQgArGpNnVdQtLwRrVfIdGdHwSdMdQqNaCgVmLiKiLtKgVtDpTgAtNrPpKsThPfKaYeKdFfVdRaIdQdPaGlQaTkFwSkVwLfAfCdYaNnGrSgPtSdGdViYgQmCwAtMlRfPpNlFrTwIiKqGdSdFhLdNrGrSrCfGqStVwGtFwNdIdDdYpDgCyViSyFtCh...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVT
7GG6_1_k12
0
-2
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753
P04964
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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6ON6_1_k12
0
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s749
Q8DIF8
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4FBY_6_k12
1
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444205
Q53G59
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7Z1A_1_k12
2
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