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
s739
512688
[C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][CH2][C@@H1][Branch1][N][CH2][OH0][P@@][=Branch1][C][=OH0][Branch1][C][OH1][OH0][H][OH0][Ring1][S]
O=P(O)(O)OC[C@@H]1C[C@@H](O)[C@@H](O)O1
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DFQQPYTSFVQTKQNRDGLYALLRNTENPRMHFYQELQSDMYCTTITDGNSLAPFVNWDLGILNDHGRADEDEVSGIAGYYFVYNRLNQQANAFVNNTEAALQNQVYKNSTEIANAKSFLAEGKVLQALAIWRLMDRFSFHESVTEVNSGAKDLGVILLKEYNPGYIGPRATKAQCYDYILSRLSEAIEVLPENRESVLYVSRDYAYALRARIYLALGEYGKAAADAKMVVDKYPLIGAADASEFENIYRSDANNPEIIFRGFASATLGSFTATTLNGAAPAGKDIKYNPSAVPFQWVVDLYENEDFRKSVYIAKVVKKD...
5CX8_2_k12
2
-5.8
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8200
P00760
[OH0][Branch1][Branch2][CH2][CH2][OH0][CH2][CH2][OH0][H][CH2][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCOCCO
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8D5N_4_k12
0
-4
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s189
Q8CA95
[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
NdKeCwDaVeVeVeVeGaGlGaIlSlGsMlAlAlAvKvLvLcHvDvSvGpLgNdVyVfVyLeEhAqRaDqRaVhGhGfRqTwYdTwLdRdNdQdKlVqKnYiVdDtLqGgGfSwYwVaGaPfTpQlNfRlIlLvRvLlAcKvEvLlGvLwEdTkYdKfVfNfEdVpEfRwLaIwHeHaVdKpGlKaSiYdPtFdRhGdPlFdPdPdVdWdNdPvIqTqYvLqDlHlNlNvFvWqRvTvMlDvDvMqGlRvEqIaPaSlDqAaPlWlKpArPpLcAsEqEvWqDlNqMaTfMqKlErLvLlDvKvLrCgWpTdEpSvAnKs...
NKCDVVVVGGGISGMAAAKLLHDSGLNVVVLEARDRVGGRTYTLRNQKVKYVDLGGSYVGPTQNRILRLAKELGLETYKVNEVERLIHHVKGKSYPFRGPFPPVWNPITYLDHNNFWRTMDDMGREIPSDAPWKAPLAEEWDNMTMKELLDKLCWTESAKQLATLFVNLCVTAETHEVSALWFLWYVKQCGGTTRIASTTNGGQERKFVGGSGQVSERIMDLLGDRVKLERPVIYIDQTRENVLVETLNHEMYEAKYVISAIPPTLGMKIHFNPPLPMMRNQMITRVPLGSVIKCIVYYKEPFWRKKDYCGTMIIDGEEA...
3ZYX_2_k12
1
-13.8
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s796
P0ACK1
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3RYP_1_k12
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s577
P94549
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5OIL_1_k12
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311
P11439
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GARIGEMKRVTKETNVSVKINLDGTGVADNSSGIPFLDHMLDQLASHGLFDVHVKATGDTHIDDHHTNEDVALAIGTALLQALGDRKGINRFGNFSAPLDEALVHVSLDLSGRPHLGYDLNIPTQRVGKYDTQLVEHFFQSLVNTSGMTLHIRQFSGTNSHHIIEATFKAFARALRQATEYDTRRGARIGEMKRVTKETNVSVKINLDGTGVADNSSGIPFLDHMLDQLASHGLFDVHVKATGDTHIDDHHTNEDVALAIGTALLQALGDRKGINRFGNFSAPLDEALVHVSLDLSGRPHLGYDLNIPTQRVGKYDTQLV...
8QAY_4_k12
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8117
P29274
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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5JTB_2_k12
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s491
P41143
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CCC(=O)N[C@@H]1CN(C2NC3=C(NCN3C(C)C)C(NC3=CN(C)NC3OC)N2)C[C@H]1F
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5UG9_2_k12
1
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177
P68189
[CH1][=Branch1][C][=OH0][CH3]
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3QM7_2_k12
0
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s26
E3PRJ9
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7DL0_2_k12
1
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s742
P30419
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6SK2_1_k12
1
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174
P68136
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
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5POC_2_k12
0
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s545
Q02127
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1I1D_1_k12
2
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6OHR_1_k12
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174
P71534
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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5QXW_1_k12
0
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s633
Q65900
[C@H1][Branch1][=Branch2][C@@H1][Branch1][Ring2][CH2][OH0][H][OH0][H][Branch1][Ring1][OH0][H][CH1][=CH1][CH2][CH3]
CCC=C[C@H](O)[C@H](O)CO
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ALLSFERKYRVPGGTLVGGNLFDFWVGPFYVGFFGVATFFFAALGIILIAWSAVLQGTWNPQLISVYPPALEYGLGGAPLAKGGLWQIITICATGAFVSWALREVEICRKLGIGYHIPFAFAFAILAYLTLVLFRPVMMGAWGYAFPYGIWTHLDWVSNTGYTYGNFHYNPAHMIAISFFFTNALALALHGALVLSAANPEKGKEMRTPDHEDTFFRDLVGYSIGTLGIHRLGLLLSLSAVFFSALCMIITGTIWFDQWVDWWQWWVKLPWWANIPGGING
4IN7_2_k12
0
-3.9
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s20
P31947
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QTDVIVVGNGVLGLSVGVEIARTRPDVRVTLLGKPARQYGATPAAGAMLGAFGEVTAHALASEHGRKKHALAVQAQRLWPEWIESLEATGTAADGRIKTADDTVVLLNTVGHSALDDANFAAVLTALKEANAPHEEIAVESVDWIDPDPNSRPLRALHIEGEGSVDSGILLAALERSFLQAGGRLHPVDATEIRASHGRVEGVVTDDGDFLPAGHVVVAAGARSQRLVAALPGLAHRIPRIYDGVGVSALVDTWDGSGPATVLRTSNRAFACGLHLVPRAGGSVYIGATNAVCLEPRGAASIEETVALFNCATHQLHRGL...
7XXP_1_k12
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176
P41365
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6ISQ_3_k12
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s249
Q43965
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OS(O)(O)CCCNC1CCCCC1
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8DOC_1_k12
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s300
P15090
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MPRVLVTGALGQIGTDLSLALRDKFGADSVLVSDVVEPGAKHPLAGLKGVEKLDCLDSNGFEKLVKEFKPTWMYHLPAIMSVRGEAEPDLAMDINVNTTRYALELARKYNIRIFIPSTIAAFGDKCGKTMTKDDTIMNPSTVYGVTKVYTELLGTWYRQKYGVDFRSVRLPGIISAATLPGGGATDYAIHMYHSALLQKKCVCPVLPYESLPMMYMPDTLNSLVKIMEAPLEKLTRTVYNITGFSFSPSELRFSIERCTDRTIEVEYVEGPAQKIANSWPDSLDDSNARNDWGHQVKYDIDMMSEDMLRQIPILHGLPSL
5LC1_2_k12
1
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176
P08819
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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1WHS_3_k12
0
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753
P0AC41
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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MRPSKMFCYQCQETAKNTGCTIIGVCGKKDNVANLQDLLVYTVKGLAVVRENLGYSNDKTDRYIVDALFTTITNVNFDDKDIIEKIKEGLALREEAASKSTCPGCGGDLPDCATWTADSDDEIIKKANSLEVSVLATENEDVRSLRELLTYGVKGIAAYLHHAMVLGYDNKDIHKFIRKALVATTDDSLSADELTALVLECGKYAVDTMALLDKANTETYGHPEITEVDIGVRNNPGILISGHDLKDLEQLLEQTKGTGVDVYTHSEMLPAHYYPAFKKYDHFVGNYGGSWWRQKEEFEAFNGPIVMTTNCLVPPAESYK...
8CNS_8_k12
0
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s17
P03372
[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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ETDSNVVTLYVTRHGKTILNTNHRAQGWADSPLVEKGVEVATNLGTGLKDIHFMNAYSSDSGRAIETANLVLKYSEQSKLKLEQRKKLRELNFGIFEGEKLDNMWDAVGKAAGVTSPEELLKFSIQEVIDLIRAADPTKQAEDWELFSTRIKAEIDKISEEAAKDGGGNVLVVVHGLLITTLIEMLDSSKTKLGVENASVTKIVYQDGIYTVESVGDMSYVAKGKESV
3R7A_1_k12
2
-6.2
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s263
P51110
[P@@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][Branch2][Branch1][Ring1][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][Branch1][NH0][CH2][CH0][Branch1][O][CH1][Branch1][=Branch1][NH0][Branch1][C][H][H][OH0][H][=C...
NC1=C2NCN([C@@H]3O[C@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]4O[C@@H](N5C=CC=C(C(N)O)C5)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3OP(=O)(O)O)[C@@H]2NCN1
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MGSQSETVCVTGASGFIGSWLVMRLLERGYTVRATVRDPTNVKKVKHLLDLPKAETHLTLWKADLADEGSFDEAIKGCTGVFHVATPMSKDPENEVIKPTIEGMLGIMKSCAAAKTVRRLVFTSSAGTVNIQEHQLPVYDESCWSDMEFCRAKKMTAWMYFVSKTLAEQAAWKYAKENNIDFITIIPTLVVGPFIMSSMPPSLITALSPITGNEAHYSIIRQGQFVHLDDLCNAHIYLFENPKAEGRYICSSHDCIILDLAKMLREKYPEYNIPTEFKGVDENLKSVCFSSKKLTDLGFEFKYSLEDMFTGAVDTCRAKG...
2IOD_1_k12
1
-10.6
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79025
P62695
[C@@H1][Branch1][Ring1][OH0][H][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][P]
OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
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ESACTLQSETHPPLTWQKCSSGGTCTQQTGSVVIDANWRWTHATNSSTNCYDGNTWSSTLCPDNETCAKNCCLDGAAYASTYGVTTSGNSLSIDFVTQSAQKNVGARLYLMASDTTYQEFTLLGNEFSFDVDVSQLPCGLNGALYFVSMDADGGVSKYPTNTAGAKYGTGYCDSQCPRDLKFINGQANVEGWEPSSNNANTGIGGHGSCCSQMDIWEANSISEALTPHPCTTVGQEICEGDGCGGTYSDNRYGGTCDPDGCDWNPYRLGNTSFYGPGSSFTLDTTKKLTVVTQFETSGAINRYYVQNGVTFQQPNAELGS...
4D5O_2_k12
2
-5.9
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174
P44537
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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5288834
Q8VYP9
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1T60_1_k12
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s668
P29274
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KTTLFCASDAKAYEKEVHNVWATHACVPTDPNPQEMVLANVTENFNMWKNDMVEQMHEDIISLWDESLKPCVKLTGGSAITQACPKVSFDPIPLHYCAPAGFAILKCNNKTFNGTGPCRNVSTVQCTHGIKPVVSTQLLLNGSLAEEEIIIRSENLTNNAKTIIVHLNESVNIVCTRPNNIRQAHCNINESKWNNTLQKVGEELAKHFPSKTIKFEPSSGGDLEITTHSFNCRGEFFYCNTSDLFNGTYRNGTYNHTGRSSNGTITLQCKIKQIINMWQEVGRAIYAPPIEGEITCNSNITGLLLLRDDTETFRPGGGDM...
8FM8_2_k12
1
-11.2
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753
P06153
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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DVSFRLSGADPSSYGMFIKDLRNALPHTEKVYNIPLLLPSVSGAGRYLLMHLFNYDGNTITVAVDVTNVYIMGYLALTTSYFFNEPAADLASQYVFRSARRKITLPYSGNYERLQIAAGKPREKIPIGLPALDTAISTLLHYDSTAAAGALLVLIQTTAEAARFKYIEQQIQERAYRDEVPSSATISLENSWSGLSKQIQLAQGNNGVFRTPTVLVDSKGNRVQITNVTSNVVTSNIQLLLNTKNI
4HOA_2_k12
0
-3.3
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753
O22476
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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GPKFPRVKNWELGSITYDTLCAQSQQDGPCTPRRCLGSLVLPRKLQTRPSPGPPPAEQLLSQARDFINQYYSSIKRSGSQAHEERLQEVEAEVASTGTYHLRESELVFGAKQAWRNAPRCVGRIQWGKLQVFDARDCSSAQEMFTYICNHIKYATNRGNLRSAITVFPQRAPGRGDFRIWNSQLVRYAGYRQQDGSVRGDPANVEITELCIQHGWTPGNGRFDVLPLLLQAPDEAPELFVLPPELVLEVPLEHPTLEWFAALGLRWYALPAVSNMLLEIGGLEFSAAPFSGWYMSTEIGTRNLCDPHRYNILEDVAVCMD...
1DM7_2_k12
0
-3.9
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5CKU_4_k12
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815328
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1NZD_2_k12
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441484
P00720
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3AI3_2_k12
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9543463
Q29U70
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1ZGA_2_k12
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P02699
[CH1][=Branch1][C][=OH0][CH3]
CC=O
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7ZBC_5_k12
0
-1.3
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753
Q00511
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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7C15_5_k12
0
-4.2
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31275
P32768
[CH2][OH0][CH2][CH2][OH0][CH2][Ring1][=Branch1]
C1COCCO1
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QATYTVAPGDTLYSIARRYGTTVEELMRLNGLESFLLQPGQVLKLPSRERTHVVAPGDTLFSLARRYGTTVEALMRLNGLSSPEIKVGQVLRLPEEGEA
4UZ3_1_k12
0
-2.3
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[0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
[0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
444205
Q9Y3Z3
[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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GDKICLGHHAVANGTKVNTLTERGIEVVNATETVETTNIKKICTQGKRPTDLGQCGLLGTLIGPPQCDQFLEFSSDLIIERREGTDICYPGRFTNEESLRQILRRSGGIGKESMGFTYSGIRTNGATSACTRSGSSFYAEMKWLLSNSDNAAFPQMTKAYRNPRNKPALIIWGVHHSESVSEQTKLYGSGNKLITVRSSKYQQSFTPNPGARRIDFHWLLLDPNDTVTFTFNGAFIAPDRTSFFRGESLGVQSDAPLDSSCRGDCFHSGGTIVSSLPFQNINSRTVGKCPRYVKQKSLLLATGMRNVPEK
3M5H_2_k12
0
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s747
P59750
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CC(C)(C)NC(=O)[C@H](c1c(C(=O)O)[nH]c2cc(Cl)ccc12)N(C=O)Cc1cc(F)c(F)c(F)c1
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5OAI_1_k12
1
-8
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1567
P00720
[CH2][Branch1][Ring1][OH0][H][CH2][SH0][H]
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1L36_1_k12
0
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s139
Q86X55
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5TBI_2_k12
1
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s299
Q5YS38
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2QIO_1_k12
1
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137348997
P33535
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COC(=O)CCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
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4DKL_3_k12
1
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P14618
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
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6WP2_2_k12
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444205
P00423
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5W5M_3_k12
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679
P15379
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
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5BZG_2_k12
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8117
Q6GJ80
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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6Q3R_2_k12
0
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174
Q6P988
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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6YV2_2_k12
0
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753
Q96PN6
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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4CLW_3_k12
0
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445184
P18946
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OC[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O
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7ZXG_3_k12
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445184
P15116
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OC[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O
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3Q2W_1_k12
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2GIA_1_k12
0
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s732
P30838
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6C6E_2_k12
1
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753
Q46851
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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8GTX_1_k12
0
-3
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444205
P0A9T3
[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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4F9L_1_k12
0
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174
P01857
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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5DR1_5_k12
0
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s52
Q92974
[CH2][Branch1][N][N@@+1][Branch1][C][H][CH2][CH2][OH0][CH2][CH2][Ring1][#Branch1][CH2][S@@][Branch1][Ring1][OH0][H][Branch1][Ring1][OH0][H][OH0][H]
OS(O)(O)CC[NH+]1CCOCC1
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7AMK_8_k12
0
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8200
P95629
[OH0][Branch1][Branch2][CH2][CH2][OH0][CH2][CH2][OH0][H][CH2][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCOCCO
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8E68_1_k12
0
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s739
P11838
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3QEO_1_k12
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5994
P08686
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CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
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4Y8W_1_k12
1
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s862
P04062
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CCCN[C@H]1SC[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)N21
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2XWE_2_k12
1
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446996
Q8JUX6
[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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4UT5_1_k12
2
-5.2
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679
Q79VI7
[OH0][=S@][Branch1][C][CH3][CH3]
CS(C)=O
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STGSATTTPIDSLDDAYITPVQIGTPAQTLNLDFDTGSSDLWVFSSETTASEVDGQTIYTPSKSTTAKLLSGATWSISYGDGSSSSGDVYTDTVSVGGLTVTGQAVESAKKVSSSFTEDSTIDGLLGLAFSTLNTVSPTQQKTFFDNAKASLDSPVFTADLGYHAPGTYNFGFIDTTAYTGSITYTAVSTKQGFWEWTSTGYAVGSGTFKSTSIDGIADTGTTLLYLPATVVSAYWAQVSGAKSSSSVGGYVFPCSATLPSFTFGVGSARIVIPGDYIDFGPISTGSSSCFGGIQSSAGIGINIFGDVALKAAFVVFNGA...
5RBT_1_k12
0
-2.2
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s40
Q5R5H1
[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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VKAGDWLPGFTPREETVYVHGGVEPDPLTGAILPPIYQNTTFVQESVENYLSKGFSYSRTSNPTVLSLEKKIAEIEGGFGACCFATGMAATVTIFSAFLAPGDHCLVTNCSYGGTNRCARLHFSKYNIDFEFIDFRDPTNVEKAIRPQTKVVFSESPCNPTLYLADIEAISQICKEKKVLHVCDSTFATPYMMRPLDLGADIVVQSTTKYYDGHNCTLGGAVISSTKEIHDKVFFLRNVMGNIMSAQTAFYTLLTLKTLPIRVEKQSANAQKIAEFLSKHHKVEHVIYPGIPSFPQKELALKQHKNVHGGMLAFEVKGGT...
8BIX_1_k12
2
-5.9
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88995192
Q9P999
[CH1][=CH0][CH0][=Branch2][Ring2][Branch2][=CH0][Branch1][C][FH0][CH0][Branch1][P][NH0][Branch1][C][H][CH0][=CH1][CH1][=CH0][Branch1][C][BrH0][CH1][=CH0][Ring1][#Branch1][ClH0][=CH0][Ring1][P][CH0][=Branch1][C][=OH0][NH0][Branch1][C][H][OH0][CH2][CH2][OH0][H][NH0][Branch1][C][H][CH2][NH0][Ring2][Ring1][=N][CH3]
CN1CNc2c1cc(C(=O)NOCCO)c(Nc1ccc(Br)cc1Cl)c2F
MdEaLdKdDdDvDqFkEdKfIdSaEwLpGaAaGdNwGqGkVtVwFtKfViSaHrKnPvSvGrLdVtMkAiRkKiLkIgHaLdEpIdKdPpAvIlRvNvQlIqIqRvElLcQvVcLlHcEvCpNdSdPlYaIaVwGhFwYdGgAwFdYdSdDpGsEiItSiItCiMtEdHdMaDpGlGaSfLqDvQvVlLlKvKlApGqRaIdPdElQlIlLlGlKvVlSvIvAsVvIlKvGqLqTcYsLcRcEvKvHpKvIfMaHfRpDdVdKaPrSrNqIwLgVhNhSlRvGgEgItKyLgCdDnFgGdVrShGpQsLvIcDvSrMsAv...
MELKDDDFEKISELGAGNGGVVFKVSHKPSGLVMARKLIHLEIKPAIRNQIIRELQVLHECNSPYIVGFYGAFYSDGEISICMEHMDGGSLDQVLKKAGRIPEQILGKVSIAVIKGLTYLREKHKIMHRDVKPSNILVNSRGEIKLCDFGVSGQLIDSMANSVGTRSYMSPERLQGTHYSVQSDIWSMGLSLVEMAVGRYPIPPPDAKELELMFPPMAIFELLDYIVNEPPPKLPSGVFSLEFQDFVNKCLIKNPAERADLKQLMVHAFIKRSDAEEVDFAGWLCSTIGLN
4U7Z_1_k12
1
-9.2
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753
P29475
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
CdPdRqFwLdKwVwKaNqWpEvTvErVdViLfTiDfTrLlHqLvKqSfTdLdEdTdGlCdTdEpYpIdCdMpGlSvIpMpHaPsPdElDfVaAdTfKlDvQrLlFlPvLlAqKlEvFqIlDqQvYvYcSvSvIvKvRnFrGpShKpAvHsMvEvRvLsEvEvVqNnKvEcIcDvTpTqSvThYdQdLdKdDpTvEsLvIlYvGqAqKlHvAqWlRqNqAaSqRlCdVlGqRnIvQcWsSnKqLeQaVeFaDeAaRqDvCdTaTdAqHvGsMvFlNvYvIvClNvHvVlKqYqAqTpNvKqGqNaLgRgSkAyIkTyIfFy...
CPRFLKVKNWETEVVLTDTLHLKSTLETGCTEYICMGSIMHPPEDVATKDQLFPLAKEFIDQYYSSIKRFGSKAHMERLEEVNKEIDTTSTYQLKDTELIYGAKHAWRNASRCVGRIQWSKLQVFDARDCTTAHGMFNYICNHVKYATNKGNLRSAITIFPQRTDGKHDFRVWNSQLIRYAGYKQPDGSTLGDPANVQFTEICIQQGWKPPRGRFDVLPLLLQANGNDPELFQIPPELVLEVPIRHPKFEWFKDLGLKWYGLPAVSNMLLEIGGLEFSACPFSGWYMGTEIGVRDYCDNSRYNILEEVAKKMNLDMRKTS...
6AV4_1_k12
0
-3.2
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52949690
P11473
[C@@H1][Branch2][Ring2][C][CH2][NH0][Branch2][Ring1][#Branch1][S@][=Branch1][C][=OH0][=Branch1][C][=OH0][CH0][=CH1][CH1][=CH0][Branch1][=Branch1][NH0][Branch1][C][H][H][CH1][=CH1][Ring1][=Branch2][CH2][C@@H1][Branch1][C][CH3][CH3][Branch1][Ring1][OH0][H][C@@H1][Branch2][Ring1][#Branch1][NH0][Branch2][Ring1][C][CH0][=Br...
CC(C)CN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1
PdQdIdTdLvWpKdRfPqLwVwTwIkCdIfGqGnQdLiKdEiAaLgLaDdTaGpAaDaDaTwVeIaEeEdMdNdLhPdGdKdWwKdPwKdMwIdGaGdIpGpGgFiIdKiVwRtQkYdDfQqItIwImCqItAnGnHrKiAdItGtTiVyLtVyGyPhTdPpVgNgIyIdGyRpNnLgLcTvQvIrGpAdTdLdNdFdPdQdIdTdLvWpKdRfPqLwVwTwIkCqIfGlGnQdLiKdEiAaLtLeDdTaGpAdDqDaTwVeIdEeEdMdNdLhPdGdKdWwKdPwKdMwIdGaGdIpGpGgFiIdKiVwRtQwYdDaQq...
PQITLWKRPLVTICIGGQLKEALLDTGADDTVIEEMNLPGKWKPKMIGGIGGFIKVRQYDQIIICIAGHKAIGTVLVGPTPVNIIGRNLLTQIGATLNFPQITLWKRPLVTICIGGQLKEALLDTGADDTVIEEMNLPGKWKPKMIGGIGGFIKVRQYDQIIICIAGHKAIGTVLVGPTPVNIIGRNLLTQIGATLNF
4DQH_1_k12
1
-9.7
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753
P22756
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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3C35_2_k12
0
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s583
P55245
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CN1CCN(c2ccc(NC3N=C4C(=CN3)NC(Nc3ccccc3)N4C3CCCC3)cc2)CC1
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EAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGRAKLLGAEEVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPEEDMDDVVDADEYLIPQ
5X27_1_k12
1
-8.7
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46927350
P0ACK1
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CCC(CC)(c1ccc(OC[C@@H](O)CO)cc1)c1ccc(OC[C@H](O)C(C)(C)C)cc1
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RPKLSEEQQHIIAILLDAHHKTYDPTYADFRDFRPPVRMSPLSMLPHLADLVSYSIQKVIGFAKMIPGFRDLTSDDQIVLLKSSAIEVIMLRSNQSFTMDDMSWDCGSQDYKYDVTDVSKAGHTLELIEPLIKFQVGLKKLNLHEEEHVLLMAICIVSPDRPGVQDAKLVEAIQDRLSNTLQTYIRCRHPPPGSHQLYAKMIQKLADLRSLNEEHSKQYRSLSFQPENSMKLTPLVLEVFGN
3W0I_1_k12
1
-10.1
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445318
P29473
[C@@H1][Branch1][#Branch2][OH0][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring2][CH2][OH0][H][OH0][Ring2][Ring1][Branch2]
CCCCCCCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
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6PH7_1_k12
0
-4.7
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s687
P00366
[C@@H1][Branch2][Ring1][=C][CH2][OH0][P@@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][OH0][P@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][OH0][P@@][Branch1][C][OH1][=Branch1][C][=OH0][OH0][H][OH0][C@@H1][Branch2][Ring2][C][NH0][CH0][=CH0][Branch2][Ring1][Branch1][CH0][=Branch1][C][=OH0][NH0][Branch1][C][H][CH1][Branch1...
NC1NC(=O)C2=C(N1)N([C@@H]1O[C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O)CN2
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ADREDDPNFFKMVEGFFDRGASIVEDKLVEDLKTRETEEQKRNRVRGILRIIKPCNHVLSLSFPIRRDDGSWEVIEGYRAQHSQHRTPCKGGIRYSTDVSVDEVKALASLMTYKCAVVDVPFGGAKAGVKINPKNYTDNELEKITRRFTMELAKKGFIGPGVDVPAPDMSTGEREMSWIADTYASTIGHYDINAHACVTGKPISQGGIHGRISATGRGVFHGIENFINEASYMSILGMTPGFGDKTFAVQGFGNVGLHSMRYLHRFGAKCVAVGESDGSIWNPDGIDPKELEDFKLQHGTILGFPKAKIYEGSILEVDCD...
6DHD_2_k12
2
-6.2
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174
O64046
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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5GT1_2_k12
0
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5288834
P60175
[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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1F52_1_k12
0
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753
Q58715
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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MKVGIVGSGMVGSATAYALALLGVAREVVLVDLDRKLAQAHAEDILHATPFAHPVWVRAGSYGDLEGARAVVLAAGVAQRPGETRLQLLDRNAQVFAQVVPRVLEAAPEAVLLVATNPVDVMTQVAYRLSALPPGRVVGSGTILDTARFRALLAEHLRVAPQSVHAYVLGEHGDSEVLVWSSAQVGGVPLLEFAEARGRALSPEDRARIDEGVRRAAYRIIEGKGATYYGIGAGLARLVRAILTDEKGVYTVSAFTPEVEGVLEVSLSLPRILGAGGVEGTVYPSLSPEEREALRRSAEILKEAAFALGF
3VPG_1_k12
0
-3.2
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174
P58407
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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ARDITLLECVGKGRYGEVWRGSWQGENVAVKIFSSRDEKSWFRETELYNTRHENILGFIASDMTSRHSSTQLWLITHYHEMGSLYDYLQLTTLDTVSCLRIVLSIASGLAHLHIEIFKPAIAHRDLKSKNILVKKNGQCCIADLGLAVMHSNNPRVGTKRYMAPEVLDETIQVDCFDSYKRVDIWAFGLVLWEVARRMVSNGIVEDYKPPFYDVVPNDPSFEDMRKVVCVDQQRPNIPNRWFSDPTLTSLAKLMKECWYQNPSARLTALRIKKTLTKID
5S7U_4_k12
0
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s710
Q51948
[CH2][Branch1][=N][CH2][S@@][Branch1][Ring1][OH0][H][Branch1][Ring1][OH0][H][OH0][H][CH2][NH0][Branch1][C][H][C@@H1][CH2][CH2][CH2][CH2][CH2][Ring1][=Branch1]
OS(O)(O)CCCNC1CCCCC1
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2IMD_1_k12
0
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753
Q9WTV1
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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SRPRDCLDVLLSGQQDDGVYSVFPTHYPAGFQVYCDMRTDGGGWTVFQRREDGSVNFFRGWDAYRDGFGRLTGEHWLGLKRIHALTTQAAYELHVDLEDFENGTAYARYGSFGVGLFSVDPEEDGYPLTVADYSGTAGDSLLKHSGMRFTTKDRDSDHSENNCAAFYRGAWWYRNCHTSNLNGQYLRGAHASYADGVEWSSWTGWQYSLKFSEMKIRPV
4M7H_1_k12
0
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s754
P00178
[CH0][Branch1][N][CH2][NH0][CH2][NH0][Branch1][C][H][CH1][=CH1][Ring1][=Branch1][=CH1][CH1][=CH0][Branch1][=Branch2][CH0][=CH1][CH1][=CH1][CH1][=CH1][Ring1][=Branch1][CH1][=CH1][Ring2][Ring1][Ring1]
C1=CN(Cc2ccc(-c3ccccc3)cc2)CN1
KdGaKaLaPqPaGfPdSaPqLdPaVlLaGwNcLvLvQqMaDdRpKvGfLdLvRvSsFvLvRvLrRcEvKvYrGnDqVwFhTwVtYqLhGlSnRaPiVaViVeLgCfGaTlDvArIqRcEcAcLcVaDvQvAvEqAqFfSfGfRaGaKvIvAvVdVdDdPcIvFvQvGnYpGpVvIvFvAvNvGvEvRvWvRvAvLvRlRvFvSlLpAqTaMqRfDhKlRgSgVlElEvRqIlQlEvElAlRvCvLvVlEvEvLqRvKvSvKvGfAdLkLdDfNcTlLlLvFlHlSqIsTlSlNqIsIvCvScIqVaFlGvKhRgFdDdYs...
KGKLPPGPSPLPVLGNLLQMDRKGLLRSFLRLREKYGDVFTVYLGSRPVVVLCGTDAIREALVDQAEAFSGRGKIAVVDPIFQGYGVIFANGERWRALRRFSLATMRDKRSVEERIQEEARCLVEELRKSKGALLDNTLLFHSITSNIICSIVFGKRFDYKDPVFLRLLDLFFQSFSLISSFSSQVFELFSGFLKYFPGTHRQIYRNLQEINTFIGQSVEKHRATLDPSNPRDFIDVYLLRMEKDFHHQNLILTVLSLFFAGTETTSTTLRYGFLLMLKYPHVTERVQKEIEQVIGSHRPPALDDRAKMPYTDAVIHEIQ...
3G5N_1_k12
1
-10
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356
P44849
[CH2][Branch1][Ring2][CH2][CH2][CH3][CH2][CH2][CH2][CH3]
CCCCCCCC
KdRaEaHaWaApTdRqLvGlLlIlLlAlMlAlGlNqAqVqGaLcGlNqFqLqRvFqPqVlQlAlAlEqNlGqGqGqAqFlMvIvPlYlIvIvAlFcLvLlVpGqIlPlLlMlWlIlElWlAlMlGlRlYvGvGlAvQvGlHaGqTfTqPlAvIsFlYcLvLlWpRvNdRpFvAsKnIlLlGsVlFlGlLqWlIlPlLlVlVcAlIlYvYlVlYlIvElSlWvTlLvGlFlAlIvKcFlLvVvGvLvVaPfEdPaPdTdDdPpDcSsIlLlRvPrFlKvEvFvLvYcSqYaIlGaVpPdKdGpDdEdPfIwLrKdPhSdLp...
KREHWATRLGLILAMAGNAVGLGNFLRFPVQAAENGGGAFMIPYIIAFLLVGIPLMWIEWAMGRYGGAQGHGTTPAIFYLLWRNRFAKILGVFGLWIPLVVAIYYVYIESWTLGFAIKFLVGLVPEPPTDPDSILRPFKEFLYSYIGVPKGDEPILKPSLFAYIVFLITMFINVSILIRGISKGIERFAKIAMPTLFILAVFLVIRVFLLETPNGTAADGLNFLWTPDFEKLKDPGVWIAAVGQIFFTLSLGFGAIITYASYRKDQDIVLSGLTAATLNEKAEVILGGSISIPAAVAFFGVANAVAIAKAGAFNLGFITL...
6NLE_2_k12
0
-3.1
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5284146
P00396
[CH2][CH2][C@@H1][Branch1][Ring1][OH0][H][CH2][C@H1][CH2][C@@H1][Branch1][Ring1][OH0][H][C@@H1][CH0][=Branch2][Ring1][#C][=CH1][C@H1][Branch1][Ring1][OH0][H][C@@][Branch1][C][CH3][C@H1][Ring1][=Branch2][CH2][CH2][C@@H1][Ring1][=Branch1][C@H1][Branch1][C][CH3][CH2][CH2][CH0][=Branch1][C][=OH0][OH0][H][C@@][Ring2][Ring1]...
C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3C(=C[C@H](O)[C@]12C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O
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ASGGGVPTDEEQATGLEREVMLAARKGQDPYNILAPKATSGTKEDPNLVPSITNKRIVGCICEEDNSTVIWFWLHKGEAQRCPSCGTHYKLVPHQLAHASAAKGDHGGTGARTWRFLTFGLALPSVALCTLNSWLHSGHRERPAFIPYHHLRIRTKPFSWGDGNHTFFHNPRVNPLPTGYEKMFINRWLFSTNHKDIGTLYLLFGAWAGMVGTALSLLIRAELGQPGTLLGDDQIYNVVVTAHAFVMIFFMVMPIMIGGFGNWLVPLMIGAPDMAFPRMNNMSFWLLPPSFLLLLASSMVEAGAGTGWTVYPPLAGNLAH...
3AG4_1_k12
1
-9.6
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174
Q3YA36
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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SVIRHFLRDDDLSPAEQAEVLELAAELKKDPVSRRPLQGPRGVAVIFDKNSTRTRFSFELGIAQLGGHAVVVDSGSTQLGRDETLQDTAKVLSRYVDAIVWRTFGQERLDAMASVATVPVINALSDEFHPCQVLADLQTIAERKGALRGLRLSYFGDGANNMAHSLLLGGVTAGIHVTVAAPEGFLPDPSVRAAAERRAQDTGASVTVTADAHAAAAGADVLVTDTWTSMGQENDGLDRVKPFRPFQLNSRLLALADSDAIVLHCLPAHRGDEITDAVMDGPASAVWDEAENRLHAQKALLVWLLERSVIRHFLRDDDLS...
7NNV_2_k12
0
-3.2
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s11
Q8EPT8
[C@@H1][Branch1][Ring2][CH2][OH0][H][OH0][C@@H1][Branch1][=N][OH0][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@@H1][Ring2][Ring1][=Branch2][OH0][C@H1][OH0][C@H1][Branch1][Ring2][CH2][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH...
CCCCCCCCCCCO[C@@H]1O[C@@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
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LATDIENNVRVVVYIRKDVEDNSQTIEKEGQTVTNNDYHKVYDSLKNMSTVKSVTFSSKEEQYEKLTEIMGDNWKIFEGDANPLYDAYIVEANAPNDVKTIAEDAKKIEGVSEVQDIENNVRVVVYIRKDVEDNSQTIEKEGQTVDYHKVYDSLKNVTFSSKEEQYEKLTEIMGDNWKIFEGDANPLYDAYIVAPNDVKTIAEDAKKIEGVSEVQD
6HEE_1_k12
2
-7
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s103
P16152
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C=CC(C)CCC=C(C)C=CC1=C(C)CCCC1(C)C
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7E71_3_k12
1
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753
P32357
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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6O42_1_k12
0
-3.2
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s725
G3XD46
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C[C@@H](C1NC(N)NC(N(C)C)N1)N1CCCCCC1
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4Y5N_1_k12
2
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79025
P52895
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OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
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1MFV_4_k12
0
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s716
P01008
[CH2][C@H1][Branch1][Ring1][OH0][CH3][C@@H1][Branch1][Ring1][OH0][CH3][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][OH0][Ring1][S]
CO[C@H]1[C@H](O)[C@@H](C(=O)O)OC[C@@H]1OC
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1E03_6_k12
0
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8146
O67925
[OH0][Branch1][=Branch1][CH2][CH2][OH0][CH2][CH3][CH2][CH2][OH0][H]
CCOCCOCCO
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O80992
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3CGH_1_k12
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s93
P9WQ81
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CC1=C(O)C(C)NC=C1COP(=O)(O)O
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4XJP_4_k12
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s610
P00374
[CH1][=CH0][Branch2][Ring1][N][CH2][CH0][=CH1][NH0][Branch1][C][H][CH1][Branch1][=Branch1][NH0][Branch1][C][H][H][NH0][Branch1][C][H][CH1][Ring1][O][NH0][Branch1][C][H][H][CH0][Branch1][Ring1][OH0][CH3][=CH1][CH1][=CH0][Ring2][Ring1][#Branch1][OH0][CH2][CH2][CH2][CH2][CH0][=Branch1][C][=OH0][OH0][H]
COc1ccc(OCCCCC(=O)O)cc1CC1=CNC(N)NC1N
VdGaSaLeNeCeIeVaAeVaSeQpNvMqGfIgGaKaNpGlDeLgPlWdPdPdLfRpNvEvFvRvYlFvQlRvMvTqTfTdSfSpVdEpGqKaQtNaLeVeIeMeGeKpKsTnWqFvSsIpPdEpKvNcRaPpLpKpGnRyIqNyLeVyLeSdRpEpLdKpEaPaPpQvGrAhHdFyLySdRpSdLpDvDrAvLvKvLvTcEcQdPpEvLnAvNvKhVhDhMyVyWyIyVyGdGdSaSvVnYqKvEvAvMqNpHdPaGfHkLyKkLyFkVyTkRyIfMyQhDdFgEdShDdTgFgFhPdEdIrDdLcEvKfYwKpLwLdPp...
VGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKND
3FS6_2_k12
1
-8.3
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174
A9L591
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
SdVdDfLqIfGaIaNeVaAeGfAqEcFfTpGvGvKdLvPpGdKdHeGpTpHgYtFyFdPqPdEpGpYrFcEqYvWvSlEvQlGvIhHaTeVyReFyPeLhKeWpEcRnLqQpPvSdLqNlAdEhLgDdDpVvYsAvSvLsVvDvDvMnLlDvQrAsKvEvNsDnIhKaVyIaLyDeVhHeNaYlAcRdYdRpKrKhVhIdGcTdEpDvVhPdVlSlAsYlQlDsLvMlElRnIvAlKvRvWpQvGpHrDpAsLyFaAeYyDaIsMyNfQePhYeGdSpAnDqKvLvWqPlAvAsAvQlAsGnIlDvGsVnRcKvYrDhKl...
SVDLIGINVAGAEFTGGKLPGKHGTHYFFPPEGYFEYWSEQGIHTVRFPLKWERLQPSLNAELDDVYASLVDDMLDQAKENDIKVILDVHNYARYRKKVIGTEDVPVSAYQDLMERIAKRWQGHDALFAYDIMNQPYGSADKLWPAAAQAGIDGVRKYDKKRPLLIEGASWSSAARWPRYADELLKLKDPADNMVFSAHVYIDEDASGSYKKGPGKDFEPMIGVKRVEPFVNWLKEHGKKGHIGEFGIPNDDERWLDAMDKLLAYLNENCIPINYWAAGPSWGNYKLSIEPKDGEKRPQVALLKKYAAKDNCSDFGPA
7P6H_1_k12
0
-2.5
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s428
P9WHH9
[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
SdMeTeHeYwDaVeVeVeLeGdAqGaPlGqGrYlVlAlAqIlRlAlAlQvLlGvLtSaTyAeIyVeEePaKdYdWrGnGpVcCpLlNqVqGhCvIqPlSlKvAlLlLlRvNvAlEvLvVlHvIcFcTpKpDpAcKvAvFvGvIhSdGdEdVdTdFdDqYlGlIvAsYlDvRvSsRrKvVrAsEvGvRvVsAvGvVsHvFvLsMcKvKvNsKvIyThEyIaHhGfYhGwTfFdAqDaAqNfTwLiLwVgDqLgNpDpGdGgTiEySiVyTgFyDnNfAyIeIyAeTpGaSwSaTfRdLfVaPpGpTaSdLdSdApNfVeVe...
SMTHYDVVVLGAGPGGYVAAIRAAQLGLSTAIVEPKYWGGVCLNVGCIPSKALLRNAELVHIFTKDAKAFGISGEVTFDYGIAYDRSRKVAEGRVAGVHFLMKKNKITEIHGYGTFADANTLLVDLNDGGTESVTFDNAIIATGSSTRLVPGTSLSANVVTYEEQILSRELPKSIIIAGAGAIGMEFGYVLKNYGVDVTIVEFLPRALPNEDADVSKEIEKQFKKLGVTILTATKVESIADGGSQVTVTVTKDGVAQELKAEKVLQAIGFAPNVEGYGLDKAGVALTDRKAIGVDDYMRTNVGHIYAIGDVNGLLQLAHV...
7KMY_3_k12
1
-11.1
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