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
444205
P29254
[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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SRVRFTTAEVDSAVARISQKIGVPASYYQFLIPIENFVVAGGFETTVSGSFRGLGQFNRQTWDGLRRLGRNLPAFEEGSAQLNASLYAIGFLYLENKRAYEASFKGRVFTHEIAYLYHNQGAPAAEQYLTSGRLVYP
4DQJ_1_k12
0
-4.7
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s151
A2RI47
[NH0][Branch1][C][H][CH2][NH0][Branch1][C][H][CH1][CH0][=Branch1][=Branch2][=CH0][Ring1][Branch2][NH0][Branch1][C][H][H][NH0][Branch1][C][H][CH2][NH0][Ring1][#Branch2][C@@H1][OH0][C@H1][Branch1][Ring2][CH2][SH0][CH3][C@@H1][Branch1][Ring1][OH0][H][C@H1][Ring1][#Branch2][OH0][H]
CSC[C@H]1O[C@@H](N2CNC3=C(N)NCNC32)[C@H](O)[C@@H]1O
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GHMIHAISAVNRHLYEDVLEQHFRLRHDIFVEERHWETLRRPDGREVDSYDDEDTVYLLALEGRRVVGGHRLYPTTKPSMMSEVFPHLAAVRGCPSDPLIWEWSRYFVVRDRRDGALNLQLMAAVQEFCLDQGIAQVSAIMETWWLPRFHEAGFVVTPLGLPALVENAWTMAATVDIRRQTLDVLHDRIGMPSIVQQDGPRLDAVARANLC
5W8D_2_k12
2
-6.5
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s615
P68400
[CH2][C@H1][Branch1][S][NH0][Branch1][C][H][S@][Branch1][Ring1][OH0][H][Branch1][Ring1][OH0][H][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][=N][CH2][OH0][S@@][Branch1][C][OH1][Branch1][Ring1][OH0][H][OH0][H][OH0][Ring2][Ring1][O]
O[C@H]1[C@H](O)[C@@H](COS(O)(O)O)OC[C@@H]1NS(O)(O)O
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SGPVPSRARVYTDVNTHRPREYWDYESHVVEWGNQDDYQLVRKLGRGKYSEVFEAINITNNEKVVVKILKPVKKKKIKREIKILENLRGGPNIITLADIVKDPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMGIMHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGTEDLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFLDKLLRYDHQSRLTAREAMEH...
7B8I_2_k12
2
-5.7
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s200
P00918
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HPDISVDVLVIGAGPTGLGAAKRLNQIDGPSWMIVDSNETPGGLASTDVTPEGFLYDVGGHVIFSHYKYFDDCLDEALPKEDDWYTHQRISYVRCQGQWVPAPFQNNISMLPKEEQVKCIDGMIDAALEARVANTKPKTFDEWIVRMMGTGIADLFMRPYNFKVWAVPTTKMQCAWLGERVAAPNLKAVTTNVILGKTAGNWGPNATFRFPARGGTGGIWIAVANTLPKEKTRFGEKGKVTKVNANNKTVTLQDGTTIGYKKLVSTMAVDFLAEAMNDQELVGLTKQLFYSSTHVIGVGVRGSRPERIGDKCWLYFPEDN...
4U8J_2_k12
1
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753
O60674
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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3K2K_1_k12
0
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s48
P04963
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MRALVTGAAGFIGSTLVDRLLADGHSVVGLDNFATGRATNLEHLADNSAHVFVEADIVTADLHAILEQHRPEVVFHLAAQIDVRRSVADPQFDAAVNVIGTVRLAEAARQTGVRKIVHTSSGGSIYGTPPEYPTPETAPTDPASPYAAGKVAGEIYLNTFRHLYGLDCSHIAPANVYGPRQDPHGEAGVVAIFAQALLSGKPTRVFGDGTNTRDYVFVDDVVDAFVRVSADVGGGLRFNIGTGKETSDRQLHSAVAAAVGGPDDPEFHPPRLGDLKRSCLDIGLAERVLGWRPQIELADGVRRTVEYFRHK
7YSM_2_k12
1
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444655
O00482
[CH0][Branch1][=Branch1][NH0][Branch1][C][H][H][=Branch1][=Branch1][=N+1][Branch1][C][H][H][CH0][=CH1][CH1][=CH1][CH1][=CH1][Ring1][=Branch1]
NC(=[NH2+])c1ccccc1
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4EDK_1_k12
0
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s757
Q9HX72
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CC(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)[C@@H](O)C(=O)NCCC(=O)NCCS
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AISELHGPRLLLRAWRDSDREAFAEMCADPQVMEFFPSVLDRAQSDALVDRVQAHFAERGYGPWALELPGEAAFIGFTGLFDVTMDVHFAPTVEIGWRLAPAYWGRGLAREAAETALDFAFERLRLPEVVAFTTPPNRRSWGLMERLGMRRDPAEDFDHPLLAADHPMRRHILYRVDAARWAERSAISELHGPRLLLRAWRDSDREAFAEMCADPQVMEFFPSVLDRAQSDALVDRVQAHFAERGYGPWALELPGEAAFIGFTGLFDVTMDVHFAPTVEIGWRLAPAYWGRGLAREAAETALDFAFERLRLPEVVAFTTP...
7KPS_5_k12
1
-10
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s590
Q6VAB4
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1TIQ_1_k12
1
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526555
P23181
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COCCOCCOCCOCCOCCOCCOCCO
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4XVH_1_k12
0
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s696
P0C0Y9
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3DTR_2_k12
1
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174
P9WQE1
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
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4WKY_1_k12
0
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2093
Q04828
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4I9S_1_k12
1
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753
Q8PGV2
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OCC(O)CO
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4NT8_1_k12
0
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177
P00761
[CH1][=Branch1][C][=OH0][CH3]
CC=O
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SSGSSYPSLLQCLKAPVLSDSSCKSSYPGQITGNMICVGFLEGGKDSCQGDSGGPVVCNGQLQGIVSWGYGCAQKNKPGVYTKVCNYVNWIQQTIAAN
5XW1_2_k12
0
-1.6
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753
Q4VSI4
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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TILSDVKALGQQIWLDNLSRSLVQSGELAQMLKQGVSGVTSNPAIFQKAFAGDALYADEVAALKRQNLSPKQRYETMAVADVRAACDVCLAEHESTGGKTGFVSLEVSPELAKDAQGTVEEARRLHAAIARKNAMIKVPATDAGIDALETLVSDGISVNLTLLFSRAQTLKAYAAYARGIAKRLAAGQSVAHIQVVASFFISRVDSALDATLPDRLKGKTAIALAKAAYQDWEQYFTAPEFAALEAQGANRVQLLWASTGVKNPAYPDTLYVDSLIGVHTVNTVPDATLKAFIDHGTAKATLTESADEARARLAEIAALG...
7BBW_1_k12
0
-3.2
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6503
P18031
[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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MEMEKEFEQIDKSGSWAAIYQDIRHEASDFPCRVAKLPKNKNRNRYRDVSPFDHSRIKLHQEDNDYINASLIKMEEAQRSYILTQGPLPNTCGHFWEMVWEQKSRGVVMLNRVMEKGSLKCAQYWPQKEEKEMIFEDTNLKLTLISEDIKSYYTVRQLELENLTTQETREILHFHYTNWPDQTAPESPASFLNFLFKVRESGSLSPEHGPVVVHCSAGIGRSGTFCLADTCLLLMDKRKDPSSVDIKKVLLEMRKFRMGLIQTADQLRFSYLAVIEGAKFIMGDSSVQDQWKELSHED
6XEG_2_k12
0
-2.9
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444205
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2QOE_1_k12
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444205
P06766
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CC(=O)N[C@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O
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5XZO_1_k12
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s692
Q9UKK9
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5QTM_2_k12
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17472
Q498M4
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8BB3_2_k12
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64689
Q8FVS7
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OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
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6UAS_3_k12
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4369116
P02911
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4UHA_4_k12
1
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s832
P79800
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4GH1_2_k12
1
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23327273
Q54527
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OC[C@H]1C[C@H]2[C@@H](O)[C@@H](O)[C@@]1(O)CN2Cc1ccccc1
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2VO5_2_k12
1
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176
P42556
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
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5K6A_2_k12
0
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10442
Q6P179
[CH2][Branch1][Ring2][CH2][OH0][H][CH2][OH0][H]
OCCCO
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7P7P_6_k12
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445184
P0DOX8
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OC[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O
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2AGD_1_k12
0
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134828072
Q09472
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CN1CNS(=O)(=O)c2ccc(CCc3ccc4c(c3)N(C)CNS4(=O)=O)cc21
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GANKTVVVTTILESPYVMMKKNHEMLEGNERYEGYCVDLAAEIAKHCGFKYKLTIVGDGKYGARDADTKIWNGMVGELVYGKADIAIAPLTITYVREEVIDFSKPFMSLGISIMIKKGTPIESAEDLSKQTEIAYGTLDSGSTKEFFRRSKIAVFDKMWTYMRSAEPSVFVRTTAEGVARVRKSKGKYAYLLESTMNEYIEQRKPCDTMKVGGNLDSKGYGIATPKGSSLGNAVNLAVLKLSEQGLLDKLKNKWWYDKGECGS
6HCH_4_k12
2
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17472
P9WJJ3
[OH0][Branch1][O][CH2][CH2][OH0][CH2][CH2][OH0][CH2][CH2][OH0][H][CH2][CH2][OH0][CH2][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCOCCOCCOCCO
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MAANPYERGPDPTDSSLEASSGPFSVSETSVSRLSASGFGGGTIYYPTTTSEGTYGAVAISPGYTATQSSIAWLGPRLASHGFVVITIDTNTTFDQPDSRARQLMAALNYLVNRSSVRSRIDSSRLAVMGHSMGGGGTLRAAEDNPSLKAAIPLTPWHTNKNWSSVRVPTLIIGAENDTIAPVSSHAKPFYNSLPSSTPKAYLELNGASHFAPNSSNTTIGKYSIAWLKRFVDNDTRYSQFLCPAPHDDSAISEYRSTCPY
8ETZ_4_k12
0
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2968
Q5R5H1
[CH2][Branch1][=N][CH2][CH2][CH2][CH2][N@@+1][Branch1][C][CH3][Branch1][C][CH3][CH3][CH2][CH2][CH2][CH2][CH2][N@+1][Branch1][C][CH3][Branch1][C][CH3][CH3]
C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C
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5E2I_3_k12
2
-6.8
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82313
P0C0Y9
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4P7Q_1_k12
0
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5997
P29274
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8C9W_3_k12
2
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81462
O05394
[C@][Branch1][N][NH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H][Branch1][Ring2][CH2][OH0][H][Branch1][Ring2][CH2][OH0][H][CH2][OH0][H]
OCCN(CCO)C(CO)(CO)CO
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2XIJ_2_k12
2
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105021
Q16875
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O=P(O)(O)OC[C@H]1O[C@@](CO)(OP(=O)(O)O)[C@@H](O)[C@@H]1O
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2I1V_3_k12
1
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176
P00761
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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5H3I_2_k12
0
-2.3
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174
B9KG20
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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STYDALRRQLIPSFDLLYGSAVSVVAMSVPATARILDLGAGTGLLGAALRERLPDAELLLQDRSQAMLEQARQRFADDDQVAIRVADHLDELPAGPFDAVVSALSINHLEHQDKQDLFTRIRKILRPGGIFVNVEQVLAPTSELEKMYDRQHEAHVLASDTPAEEWAAGRERMKHDIPIDVETQIQWLRDAGFTTADCLAKDWRFATYAGWNGSSTYDALRRQLIPSFDLLYGSAVSVVAMSVPATARILDLGAGTGLLGAALRERLPDAELLLQDRSQAMLEQARQRFADDDQVAIRVADHLDELPAGPFDAVVSALSI...
9FCX_1_k12
0
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16645886
Q15109
[CH0][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][=CH0][Branch1][=Branch2][CH0][=CH1][CH1][=CH1][CH1][=CH1][Ring1][=Branch1][CH0][=CH0][Branch1][Branch1][NH0][Ring1][#C][H][CH0][Branch1][C][CH3][=CH1][CH1][=CH1][Ring1][=Branch2]
Cc1cccc2c(-c3ccccc3)c(C(=O)O)[nH]c12
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GAMAQNITARIGEPLVLKCKGAPKKPPQRLEWKLNTGRTEAWKVLSPQGGGPWDSVARVLPNGSLFLPAVGIQDEGIFRCQAMNRNGKETKSNYRVRVYQIPGKPEIVDSASELTAGVPNKVGTCVSEGSYPAGTLSWHLDGKPLVPNEKGVSVKEQTRRHPETGLFTLQSELMVTPARGGDPRPTFSCSFSPLRTAPIQPRVWE
6XQ8_3_k12
1
-7.7
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174
O23346
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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SARIGEVKRETKQTNVSVKINLDGHGVSDSSTGIPFLDHMLDQLASHGLFDVHVRATGDTHIDDHHTNEDVALAIGTALLKALGERKGINRFGDFTAPLDEALIHVSLDLSGRPYLGYNLEIPTQRVGTYDTQLVEHFFQSLVNTSGMTLHIRQLAGKNSHHIIEATFKAFARALRQATESDPRRGGTIPSSKGVLSRS
4MU4_1_k12
0
-2.7
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176
Q9X024
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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5FXS_1_k12
0
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s369
P60016
[NH0][Branch1][C][H][CH2][NH0][Branch1][C][H][CH1][CH0][=Branch1][=Branch2][=CH0][Ring1][Branch2][NH0][Branch1][C][H][H][NH0][Branch1][C][H][CH2][NH0][Ring1][#Branch2][C@@H1][OH0][C@H1][Branch1][Ring2][CH2][SH0][CH3][C@@H1][Branch1][Ring1][OH0][H][C@H1][Ring1][#Branch2][OH0][H]
CSC[C@H]1O[C@@H](N2CNC3=C(N)NCNC32)[C@H](O)[C@@H]1O
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KVKVGIIGGTGFDDPNLFKKVGVRQVTTPFGKPSDTLVEGFVGDVACVVLPRHGKGHLIPPSEVNYRANVWALKDLGCTHILATNACGSLQEDLVPGDFVVLNQFMDKTWGRENTFYGSKPDSLKGVLHMPMAEPFCERTRQILIQAARNKSINVYDKKTMDKSACIHPCVHAEGSAVTINGPRFSTRCESFIHKAMGLDIVNMTLVPEVSLAREAGLSYASIAIVTDFDCWKSEEEHVCVDMVLEQFRKSVVHVREILLEAVALIGAEDWTKTIEANKALVMSSRQDLKVKVGIIGGTGFDDPNLFKKVGVRQVTTPFG...
5F76_1_k12
1
-8.2
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78058
A6TAP7
[CH2][Branch1][#Branch2][OH0][CH2][CH2][OH0][CH2][CH2][OH0][CH2][CH3][CH2][OH0][CH2][CH2][OH0][CH2][CH2][OH0][H]
CCOCCOCCOCCOCCOCCO
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5OHM_1_k12
0
-3.6
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s171
K9N7C7
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NC1=C2NCN([C@@H]3O[C@@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]3O)C2NCN1
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5YNO_2_k12
1
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702
P02754
[OH0][Branch1][C][H][CH2][CH3]
CCO
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4DQ4_1_k12
0
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445184
O94923
[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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6I01_1_k12
0
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P0A017
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1S1A_2_k12
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753
P11797
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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1UR8_1_k12
0
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753
P29476
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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4R7Q_2_k12
0
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s573
Q9HX72
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7KPP_2_k12
1
-10.4
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753
T2KMF4
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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GIWNTLLAIHKTEKAVETPKKVFAVANGVLYSVGKEAPHEAKIFDRISGLSDTSVSSIAYSEQLKSLVIYYASGNIDILDEAGRVTNVPALKDNIDLIDKTLNRLLIVGNRAYLAGGFGLSVLDVAEARIPATYAKGTKVTDVAKLDNDRLLMLKEGQLFIGKETDNLQDPAAWTALSLNLPMGSVTGLGIVGEDICFLLADGRVYVAANQSFEPELLLSSSADSRLYVTDRGLFICAENRIYFIEKGRKTTQFPIADVLGVGAMNESNTAYIALGEEGLASLLLAEGSTAEAMPVAFDGPGDNDFYEMRFSHGRLYAAS...
5M11_2_k12
0
-3.2
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s24
Q5KWB7
[C@@H1][Branch2][Ring2][=Branch2][CH2][OH0][P@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][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][Branch1][Ring1][OH0][H][OH0][Ring1][O][OH0][C@@H1][Branch2][Ring1][=C][NH0][CH1][NH0][Branch...
NC1=C2NCN([C@@H]3O[C@@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]4O[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)C2NCN1
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AMKRKKISVIGAGFTGATTAFLLAQKELGDVVLVDIPQLENPTKGKALDMLEASPVLGFDANIIGTSDYADTADSDIVVITAGIARKPGMSRDDLVTTNQKIMKQVTKEVVKYSPNCYIIVLTNPVDAMTYTVFKESGFPKNRVIGQSGVLDTARFRTFVAEELNISVKDVTGFVLGGHGDDMVPLVRYSYAGGIPLEKLIPKDRLDAIVERTRKGGGEIVNLLGNGSAYYAPAASLVEMVEAILKDQRRILPAIAYLEGEYGYEGIYLGVPTILGGNGIEKVIELELTEEEKAALAKSVESVKNVMRMLE
7BYA_1_k12
1
-10.1
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753
Q13822
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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TLLDFPFSPRGDQLPPEIEALRAEPVKRVRTIAGDPAWLVSSYALCKQVLEDPRFSLKDTSAPGVPRQYALTIPPEVVNNMGNITGAGLRKAVLKAINPKTDGLTDWMRAHAATLVDDILDYGPPVDLRGRFTNPYAEHLHCRILGIPQADAPRLAASLDIAFMNSACPITGARLNWDRDIAYMVDRLDDPATTGLMAELAALRGNPDYDHLTDEMLATVGVTMFGAGVISTMGFLTMAIFSLIQHPDVWEQLRKAPEKIPAAVDELLRVNLSIADGLPRLALEDVRLGDVEVKKGELVLVLVEAANTDPAMFPDPHTVD...
8Q6Z_1_k12
0
-3.7
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s608
P31224
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C=C1CC[C@H](O)CC1=CC=C1CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@@](C)(O)CCC=C(C)C
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5OWD_1_k12
1
-11.8
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444205
O94925
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1P0I_1_k12
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s617
P03369
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Cc1cn([C@H]2CC[C@H](COP(O)O)O2)c(=O)[nH]c1=O
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6NKU_1_k12
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8117
Q9NTG7
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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4KAA_1_k12
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s391
Q8N4Q0
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SMMQKLVVTRLSPNFREAVTLSRDCPVPLPGDGDLLVRNRFVGVNASDINYSAGRYDPSVKPPFDIGFEGIGEVVALGLSASARYTVGQAVAYMAPGSFAEYTVVPASIATPVPSVKPEYLTLLVSGTTAYISLKELGGLSEGKKVLVTAAAGGTGQFAMQLSKKAKCHVIGTCSSDEKSAFLKSLGCDRPINYKTEPVGTVLKQEYPEGVDVVYESVGGAMFDLAVDALATKGRLIVIGFISGYQTPTGLSPVKAGTLPAKLLKKSASVQGFFLNHYLSKYQAAMSHLLEMCVSGDLVCEVDLGDLSPEGRFTGLESIF...
2WEK_3_k12
1
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s2
Q0P8T0
[NH0][Branch1][=C][CH2][CH2][S@@][Branch1][Ring1][OH0][H][Branch1][Ring1][OH0][H][OH0][H][CH2][CH2][NH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][Ring2][Ring1][Ring1]
OCCN1CCN(CCS(O)(O)O)CC1
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GRPSRRAFVTGLTGFTGRYMAERLQAAGYDVWGTVAPGTPRPADPAFAQCTLLPVDLLDAEAMRAAAADARPDAVVHLAARAEPSQTYAVNIVGTRNLLAALSGLDRRPSAVLLASSANIYGNSTAGVLDETVAPAPANDYAVSKLAMEYAAKLWADRLPIVIARPFNYTGVGQSDAYLLPKLVAHYARNAPRISLGNLDVSRDFSDVRDVTAAYLKLIEAAPAGETFNVCSERAYSLKEVLAMLSRIAGYVIDVTIDPRFVRHNEVKSLSGSRDKLRRAVGELPVTPLDETLRWMVDAMRAA
4LW8_1_k12
0
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s672
P49943
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FQSMSVGFIGAGQLAFALAKGFTAAGVLAAHKIMASSPDMDLATVSALRKMGVKLTPHNKETVQHSDVLFLAVKPHIIPFILDEIGADIEDRHIVVSCAAGVTISSIEKKLSAFRPAPRVIRCMTNTPVVVREGATVYATGTHAQVEDGRLMEQLLSSVGFCTEVEEDLIDAVTGLSGSGPAYAFTALDALADGGVKMGLPRRLAVRLGAQALLGAAKMLLHSEQHPGQLKDNVSSPGGATIHALHVLESGGFRSLLINAVEASCIRTRELQSMADQENLYFQSMSVGFIGAGQLAFALAKGFTAAGVLAAHKIMASSPD...
8TDD_1_k12
1
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1110
Q9KHI5
[CH2][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][CH2][CH0][=Branch1][C][=OH0][OH0][H]
O=C(O)CCC(=O)O
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5JDA_2_k12
0
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s609
Q10343
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NC1=C2NCN([C@@H]3O[C@@H](CO[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)C2NCN1
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SEQYSTEIPAFLTSNQELKLPKPPSLPPHLEKCILNSNTAYKEDQSVLPNPNHVLLNHLAAANTQLGVLALSATTRYHRKYVTTAMFKNFDAMDVQETQKGALKEIQAFIRSRTSYDVLPTSFRLIVFDVTLFVKTSLSLLTLNNIVSAPLWDSEANKFAGLLTMADFVNVIKYYYQSSSFPEAIAEIDKFRLLGLREVERKIGAIPPETIYVHPMHSLMDACLAMSKSRARRIPLIDVDGETGSEMIVSVLTQYRILKFISMNCKETAMLRVPLNQMTIGTWSNLATASMETKVYDVIKMLAEKNISAVPIVNSEGTLL...
2QRD_2_k12
1
-8.7
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447053
P11609
[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
NdYwTwFkRkCkLkQkMkSkSwFdAaNaRlSpWdSiRfTiDwSiVwViWdLiGhDlLdQtTaHwRtWgSgNrDvSdAlTfIiSdFgTpKdPpWcSsQqGfKpLdSdNpQvQrWvEvKvLvQrHvMvFvQsVvYvRvVvSvFvTvRvDlIvQsEvLvVpKvMvMpSpPpKvEdDgYdPgIkEmIkQmLwSiAwGaCwEdMdYdPpGdNlAdSiEaStFwLiHwVmAdFiQpGnKhYtVfVwRtFdWdGdTqSaWiQdTtVdPpGpAhPdSpWvLcDvLvPvIrKvVvLrNsAvDpQnGvTvSsAvTvVvQcMcLcLgNpDp...
NYTFRCLQMSSFANRSWSRTDSVVWLGDLQTHRWSNDSATISFTKPWSQGKLSNQQWEKLQHMFQVYRVSFTRDIQELVKMMSPKEDYPIEIQLSAGCEMYPGNASESFLHVAFQGKYVVRFWGTSWQTVPGAPSWLDLPIKVLNADQGTSATVQMLLNDTCPLFVRGLLEAGKSDLEKQEKPVAWLSSVPSRQLVCHVSGFYPKPVWVMWMRGDQEQQGTHRGDFLPNADETWYLQATLDVEAGEEAGLACRVKHSSLGGQDIILYW
3RTQ_3_k12
0
-4.4
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101661550
P00157
[C@@H1][Branch2][Ring1][Ring1][CH2][OH0][P@][=Branch1][C][=OH0][Branch1][=Branch2][OH0][CH2][CH2][NH0][Branch1][C][H][H][OH0][H][Branch1][N][CH2][OH0][CH0][=Branch1][C][=OH0][CH2][CH2][CH2][CH2][CH3][OH0][CH0][=Branch1][C][=OH0][CH2][CH2][CH2][CH2][CH3]
CCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCC
TdAdTdYpAlQrAvLlQvSpVqPaEdTwQdVwSdQaLdDpNlGqLaRiVeAiSeEgQaSdSaQfPqTkCkTkVkGkVkWkIfDfAdGfSqRlYlEpSdEqKqNlNsGqAqGvYvFlVlEqHlLqAlFcKqGaTfKpNvRqPhGgNcAsLsEvKcEvVcEvSvMqGpAkHdLwNdAwYdSgTdRrEtHmTtAmYiYmImKiAgLgSpKvDcLpPlKvArVlEqLsLnAlDrIrVlQpNgCrSdLpEdDpSvQsIlEvKvEvRlDvVvIlLvQvEvLvQvEvNlDvTpSvMvRvDsVvVlFvNlYvLlHqAlTqAfFlQpGp...
TATYAQALQSVPETQVSQLDNGLRVASEQSSQPTCTVGVWIDAGSRYESEKNNGAGYFVEHLAFKGTKNRPGNALEKEVESMGAHLNAYSTREHTAYYIKALSKDLPKAVELLADIVQNCSLEDSQIEKERDVILQELQENDTSMRDVVFNYLHATAFQGTPLAQSVEGPSENVRKLSRADLTEYLSRHYKAPRMVLAAAGGLEHRQLLDLAQKHFSGLSGTYDEDAVPTLSPCRFTGSQICHREDGLPLAHVAIAVEGPGWAHPDNVALQVANAIIGHYDCTYGGGAHLSSPLASIAATNKLCQSFQTFNICYADTGLL...
7TAY_2_k12
2
-5.4
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[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0...
15399
P47811
[NH0][Branch1][N][CH0][=CH1][CH1][=CH0][Branch1][C][CH3][CH1][=CH1][Ring1][#Branch1][CH0][=Branch1][C][=OH0][CH1][=CH1][CH0][Ring1][=N][=OH0]
Cc1ccc(N2C(=O)C=CC2=O)cc1
RdPaTdFwYdRwQdEdLdNpKnTdIiWdEiVdPgEpRqYwQdNdLwSaPwVdGdSdYcGwStVwCtAwAtFqDrTnKvTpGrHaRtVkAiVkKtKkLhSdRfPqFlQvSfIpIvHsAlKvRlTnYlRvEvLlRqLvLqKlHfMdKdHdEqNaVaIwGhLwLqDaVkFdTdPpAdRpSdLlEvEpFdNtDiViYmLtVmTtHgLdMfGdAdDwLqNvNvIvVlQpKpLdTdDlDvHlVlQlFvLlIlYlQsIvLlRlGsLlKqYqIcHvSlAqDqIhIaHqRqDfLdKdPrSvNqLwAgVaNdEpDvCrErLiKhIgLdDd...
RPTFYRQELNKTIWEVPERYQNLSPVGSYGSVCAAFDTKTGHRVAVKKLSRPFQSIIHAKRTYRELRLLKHMKHENVIGLLDVFTPARSLEEFNDVYLVTHLMGADLNNIVQKLTDDHVQFLIYQILRGLKYIHSADIIHRDLKPSNLAVNEDCELKILDFGLHTDDEMTGYVATRWYRAPEIMLNWMHYNQTVDIWSVGCIMAELLTGRTLFPGTDHIDQLKLILRLVGTPGAELLKKISSESARNYIQSLAQMPKMNFANVFIGANPLAVDLLEKMLVLDSDKRITAAQALAHAYFAQYHDPDDEPVADPYDQSFESR...
6SOT_2_k12
0
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3776
P02211
[CH3][C@@H1][Branch1][C][CH3][OH0][H]
CC(C)O
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4ILZ_1_k12
0
-2.5
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679
P01909
[OH0][=S@][Branch1][C][CH3][CH3]
CS(C)=O
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7KU9_2_k12
0
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66345
Q6N8N2
[CH0][Branch1][=Branch1][NH0][Branch1][C][CH3][H][=CH1][CH1][=CH0][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][CH1][=CH1][Ring1][=N]
CNc1ccc(C(=O)O)cc1
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5U6W_1_k12
2
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679
Q80J95
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
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5IJR_1_k12
0
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54294271
P71411
[CH2][Branch2][Ring1][C][CH2][CH2][CH2][CH0][=Branch1][C][=OH0][OH0][CH2][C@H1][Branch1][Ring1][OH0][H][CH2][OH0][H][CH2][CH2][CH2][CH1][=CH1][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3]
CCCCCCCCC=CCCCCCCCC(=O)OC[C@H](O)CO
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RMLFQTSYTLENNGSVICIPNNGQCFCLAWLKSNGTNAEKLAANILQWITFALSALCLMFYGYCGWEEIYVATIEMIKFIIEYFHEFDEPAVIYSSNGNKTVWLRYAEWLLTCPVILIHLSNLTGLANDYNKRTMGLLVSDIGTIVWGTTAALSKGYVRVIFFLMGLCYGIYTFFNAAKVYIEAYHTVPKGRCRQVVTGMAWLFFVSWGMFPILFILGPEGFGVLSVYGSTVGHTIIDLMSKNCWGLLGHYLRVLIHEHILIHGDIRKTTKLNITEIEVETLVEDEAEAGAVSSED
7E70_1_k12
2
-6.4
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965
P00915
[CH2][Branch1][=N][CH2][CH2][CH2][CH2][CH2][CH2][CH0][=Branch1][C][=OH0][OH0][H][CH1][=CH1][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3]
CCCCCCCCC=CCCCCCCCC(=O)O
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6MD0_1_k12
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176
P31947
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4Y5P_2_k12
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445184
P05450
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4CD6_2_k12
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753
P29475
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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2ED5_2_k12
0
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753
Q9BTU6
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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7N0A_3_k12
0
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445184
P01861
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OC[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O
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6WIB_3_k12
0
-3
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s74
P43788
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5U63_1_k12
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s593
P0A2K1
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7EMG_1_k12
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64689
P24071
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OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
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GSEQTHRAIFRFVPRHEDELELEVDDPLLVELQAEDYWYEAYNMRTGARGVFPAYYAIEVTK
2FPD_1_k12
0
-2.9
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1338
P31723
[CH0][=Branch1][C][=OH0][Branch2][Ring1][#Branch1][CH2][CH2][CH0][=CH1][CH1][=CH0][Branch1][O][N@+1][Branch1][C][CH3][Branch1][C][CH3][CH2][CH1][=CH2][CH1][=CH1][Ring1][N][CH2][CH2][CH0][=CH1][CH1][=CH0][Branch1][O][N@@+1][Branch1][C][CH3][Branch1][C][CH3][CH2][CH1][=CH2][CH1][=CH1][Ring1][N]
C=CC[N+](C)(C)c1ccc(CCC(=O)CCc2ccc([N+](C)(C)CC=C)cc2)cc1
EdDpAcElLqLwVfTaVaRpGqGgRiLeRgGeIdRwLdKdTfPpGqGdPiVkStAkFfLaGfIaPaFqAfEdPqPcMaGqPlRsRqFlLhPaPtEhPgKdQhPhWdSpGdVyVhDyArTyTaFhQdSfVaCeYdQfYdVqDdTpLpYpPpGpFfEcGqTrEvMlWfNgPtNpRhEhLySdEsDrCfLwYgLkNmVkWiTaPgYpPpRqPaTpSaPaTfPfVeLeVeWeIeYeGdGdGlFqYgSgGgAdScSrLrDpVlYnDdGqRtFvLlVcQhAqEqRrThVmLyVmSyMtNhYfRhVgGfAcFsGqFaLqAdLlPdGp...
EDAELLVTVRGGRLRGIRLKTPGGPVSAFLGIPFAEPPMGPRRFLPPEPKQPWSGVVDATTFQSVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLVWIYGGGFYSGASSLDVYDGRFLVQAERTVLVSMNYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASVGMHLLSPPSRGLFHRAVLQSGAPNGPWATVGMGEARRRATQLAHLVGCPPGGTGGNDTELVACLRTRPAQVLVNHEWHVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHG...
6O50_2_k12
1
-9.2
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s664
O95696
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CCCCCCCCCCCCCC(=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)NCN[C@H]32)[C@H](O)[C@@H]1OP(=O)(O)O
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AHAFWSTQPVPQTEDETEKIVFAGPMDEPKTVADIPEEPYPIASTFEWWTPNMEAADDIHAIYELLRDNYVEDDDSMFRFNYSEEFLQWALCPPNYIPDWHVAVRRKADKKLLAFIAGVPVTLRMGTPKYMKVKAQEKGEGEEAAKYDEPRHICEINFLCVHKQLREKRLAPILIKEATRRVNRTNVWQAVYTAGVLLPTPYASGQYFHRSLNPEKLVEIRFSGIPAQYQKFQNPMAMLKRNYQLPSAPKNSGLREMKPSDVPQVRRILMNYLDSFDVGPVFSDAEISHYLLPRDGVVFTYVVENDKKVTDFFSFYRIPS...
5AG5_2_k12
1
-9.2
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753
P03372
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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HWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHSFQVTFDDSQDKAVLKGGPLDGTYRLLQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDVGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTEGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLAECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
8FR2_1_k12
0
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s638
P02699
[NH0][Branch2][Ring1][Branch2][C@@H1][CH2][CH2][CH1][=CH1][NH0][Branch1][=N][CH0][=Branch1][C][=OH0][CH2][CH2][CH2][NH0][Branch1][C][CH3][CH3][CH2][Ring1][#C][C@@H1][Branch2][Ring1][Branch2][NH0][Branch2][Ring1][Ring1][CH0][=Branch1][C][=OH0][CH0][=CH1][CH2][NH0][Branch1][C][H][CH0][Branch1][C][CH3][=CH1][Ring1][Branch...
CC1=CC(C(=O)N[C@H]2Nc3cccc(C)c3N2[C@@H]2CCC=CN(C(=O)CCCN(C)C)C2)=CCN1
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5FEQ_1_k12
1
-8.7
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15906
P00720
[SH0][Branch1][Branch1][CH2][CH2][OH0][H][SH0][CH2][CH2][OH0][H]
OCCSSCCO
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5VNR_2_k12
0
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174
Q08011
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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SMHVGIIGAGIGGTCLAHGLRKHGIKVTIYERNSAASSILPGYGIHINSFGKQALQECLPAENWLAFEEASRYIGGQSRFYNERMRLLAVQRLSISRTELKEILNKGLANTIQWNKTFVRYEHIENGGIKIFFADGSHENVDVLVGADGSNSKVRKQYLPFIERFDVGVSMIIGRARLTPALTALLPQNFRDGTPNSIVPKSPDWLFISMWRAPVNIHVEASLAEIDNFIVWVYVAATDSLPDNITDFSAEALCDLVQSRMISWDPSLHTLVQQSDMENISPLHLRSMPHLLPWKSSTVTLLGDAIHNMTPMTGSGANTA...
4HB9_1_k12
0
-2.1
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16129575
Q7NMD1
[CH0][Branch2][Ring1][O][CH0][Branch2][Ring1][=Branch1][NH0][Branch1][C][H][C@@H1][Branch1][=Branch2][CH2][CH2][CH0][=Branch1][C][=OH0][OH0][H][CH0][=Branch1][C][=OH0][OH0][H][=OH0][=CH1][CH1][=CH0][Branch2][Ring2][N][NH0][CH2][C@@H1][NH0][Branch2][Ring1][P][CH0][=CH0][Branch2][Ring1][Branch1][NH0][Branch1][C][H][CH1][...
NC1NC(=O)C2=C(NC[C@@H]3CN(c4ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc4)CN23)N1
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QKIILWYRNDLRLHDHEPLDLATSTQGQIIPLYCFDPRQFAKTSFGFPKTGGFRGKFLLESVADLRHNFQKIGSNLLVRIGEPERVIFDLVKQLNIDAVYYHKEVTAEELAVETALEKALTPLGVEVKSFWGATLYHLKELPFPIEKLPELFTNFRKQVEQKSVIYPPYTPPNQLPQFPDIEPGEIPTLTELGITPAPFDERSVLDFAGGETAGLSRLNDYFWRRDCLKNYKQTRNGMLGSDYSSKFSPWLANGCLSPRWIYQQVQDYQHQRVKNDSTYWLVFELLWRDYFRFICLKHGPKVFYKSGLQGVKIPWGENWE...
6KII_2_k12
1
-8
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s132
P22557
[NH0][Branch1][C][H][CH1][Branch1][C][CH3][CH0][Branch1][Ring1][OH0][H][=CH0][Branch1][Ring1][CH1][=OH0][CH0][Branch1][N][CH2][OH0][P@][Branch1][C][OH1][=Branch1][C][=OH0][OH0][H][=CH1][Ring2][Ring1][Ring1]
CC1NC=C(COP(=O)(O)O)C(C=O)=C1O
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LYFQSMFSYDQFFRDKIMEKKQDHTYRVFKTVNRWADAYPFAQHFSKDVSVWCSNDYLGMSRHPQVLQATQETLQRHGVGAGGTRNISGTSKFHVELEQELAELHQKDSALLFSSCFVANDSTLFTLAKILPGCEIYSDAGNHASMIQGIRNSGAAKFVFRHNDPDHLKKLLEKSNPKIPKIVAFETVHSMDGAICPLEELCDVSHQYGALTFVDEVHAVGLYGSRGAGIGERDGIMHKIDIISGTLGKAFGCVGGYIASTRDLVDMVRSYAAGFIFTTSLPPMVLSGALESVRLLKGEEGQALRRAHQRNVKHMRQLLM...
5QR6_1_k12
1
-8
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8117
627750
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9K7M_5_k12
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702
P16201
[OH0][Branch1][C][H][CH2][CH3]
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4KLK_1_k12
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s33
Q6AXV9
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OCCN1CCN(CCS(O)(O)O)CC1
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6RSW_1_k12
0
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s485
Q9UGP5
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Cc1cn([C@H]2CC[C@H](COP(O)O)O2)c(=O)[nH]c1=O
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3C5G_1_k12
2
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5288834
O00255
[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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5YFJ_2_k12
0
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887
O70132
[CH3][OH0][H]
CO
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7PN4_2_k12
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s223
L0DSL2
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5XTP_1_k12
1
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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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8D6B_1_k12
0
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444205
Q9C1S9
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CC(=O)N[C@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O
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REFNNLTKGLCTINSWHIYGKDNAVRIGEDSDVLVTREPYVSCDPDECRFYALSQGTTIRGKHSNGTIHDRSQYRDLISWPLSSPPTVYNSRVECIGWSSTSCHDGRARMSICISGPNNNASAVIWYNRRPVTEINTWARNILRTQESECVCQNGVCPVVFTDGSATGPAETRIYYFKEGKILKWEPLTGTAKHIEECSCYGEQAGVTCTCRDNWQGSNRPVIQIDPVAMTHTSQYICSPVLTDNPRPNDPTVGKCNDPYPGNNNNGVKGFSYLDGGNTWLGRTISIASRSGYEMLKVPNALTDDRSKPTQGQTIVLNTD...
1NMB_1_k12
0
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6603822
O43613
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CCCCCCCCCCCCCCC[C@H](O)[C@H](N)CO
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1AR9_2_k12
1
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162624718
P23526
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CNC1NC(=O)[C@H]([C@H](C)c2c[nH]c3cccc(C)c23)O1
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7ENT_1_k12
1
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s732
E0SRA9
[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]...
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RLRSTPQDELHDLLCVGFGPASLAIAIALHDALDPRLNKSASNIHAQPKICFLERQKQFAWHSGMLVPGSKMQISFIKDLATLRDPRSSFTFLNYLHQKGRLIHFTNLSTFLPARLEFEDYMRWCAQQFSDVVAYGEEVVEVIPGKSDPSSSVVDFFTVRSRNVETGEISARRTRKVVIAIGGTAKMPSGLPQDPRIIHSSKYCTTLPALLKDKSKPYNIAVLGSGQSAAEIFHDLQKRYPNSRTTLIMRDSAMRPSDDSPFVNEIFNPERVDKFYSQSAAERQRSLLADKATNYSVVRLELIEEIYNDMYLQRVKNPDE...
6X0H_1_k12
1
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s235
P55245
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C=CC(=O)N[C@H]1C[C@H](C)c2c(C3=CNC4C=CC=CC4=C3)c3c(n2C1)NCNC3N
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EAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMDEEDMDDVVDADEYLI
8F1H_1_k12
1
-9.8
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444205
P18858
[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
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TLPTTASSSTAVASSQLDQLANFAYNVTTDSVAGCTLQNLRVRRDWRAFSKTQKKDYINSVLCLQKLPSRTPAHLAPGARTRYDDFVATHINQTQIIHYTGTFLAWHRYFIYEFEQALRDECSYTGDYPYWNWGADADNMEKSQVFDGSETSMSGNGEYIPNQGDIKLLLGNYPAIDLPPGSGGGCVTSGPFKDYKLNLGPAALSLPGGNMTAAANPLTYNPRCMKRSLTTEILQRYNTFPKIVELILDSDDIWDFQMTMQGVPGSGSIGVHGGGHYSMGGDPGRDVYVSPGDTAFWLHHGMIDRVWWIWQNLDLRKRQN...
5OR3_4_k12
2
-5.2
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