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
176
P0AFL3
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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7ZFM_3_k12
0
-2.5
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8200
P05164
[OH0][Branch1][Branch2][CH2][CH2][OH0][CH2][CH2][OH0][H][CH2][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCOCCO
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6WIE_1_k12
0
-3.3
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s187
P0C0Y9
[CH3][CH0][=Branch2][Ring1][#C][=CH1][CH1][=CH1][CH1][=CH0][Branch1][C][CH3][CH2][CH2][CH2][C@H1][Branch1][C][CH3][CH2][CH2][CH2][C@H1][Branch1][C][CH3][CH2][CH2][CH1][=CH0][Branch1][C][CH3][CH3][CH2][CH2][CH2][C@H1][Branch1][C][CH3][CH1][=CH1][CH2][C@H1][Branch1][C][CH3][CH1][=CH1][CH0][=Branch1][C][=OH0][C@][Branch1]...
COC(C)(C)C(=O)C=C[C@@H](C)CC=C[C@@H](C)CCCC(C)=CC=CC=C(C)CCC[C@H](C)CCC[C@H](C)CCC=C(C)C
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1K6L_5_k12
1
-9.3
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s17
P42212
[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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3MKP_2_k12
2
-5
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177
P0DTC2
[CH1][=Branch1][C][=OH0][CH3]
CC=O
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3PKU_1_k12
0
-1.3
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753
Q13627
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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3D3S_1_k12
0
-3.3
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679
P01857
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
AdPdPpTlLqWlSvRqVwTaKqFaGqSlGaWtGwFgWdVlSaPqTfVkFiIkTfTfTpHvVrIhPdTvSpAdKqEdFdFlGrEdPgLpTvSqIwAdIwHdRdAdGhErFiTiLmFiRgFgSpKdKrIsRpPhDvLdTdGhMdIaLeEaEqGaCdPdEqGqTdVwCwSfVfLfIfKdRdDpSdGrEdLtLgPrLwAiVwRrMwGhAaIfAdSwMdRqIaQpGnRdLiVdHtGaQtSkGtMfLtLpTqGdApNkAqKaGdMdDpLrGdTdIdPpGrDhCwGnAtPwYtVwYdKdRpAvNvDgWiVyVtCaGfVtHwAdAdAd...
APPTLWSRVTKFGSGWGFWVSPTVFITTTHVIPTSAKEFFGEPLTSIAIHRAGEFTLFRFSKKIRPDLTGMILEEGCPEGTVCSVLIKRDSGELLPLAVRMGAIASMRIQGRLVHGQSGMLLTGANAKGMDLGTIPGDCGAPYVYKRANDWVVCGVHAAATKSGNTVVCAVQ
6T3G_1_k12
0
-1.9
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753
P0DOX7
[CH2][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring2][CH2][OH0][H][OH0][H]
OCC(O)CO
AdMaCdLaNfTeFkVdLfKpKdEaVwSdEaTdQpHvGgTkIiLkItKkViEaYaKdGdEpDdApPqChKfIkPdFkSdTfRaLwIpTpAdNtPhVtVdThKdKnEgEdPiVdNiItEiAgEhPdPdFpGpNwImVfIiGhIdKvAtLdKiIdNdWdDdVwQaLwVeEwPdGaAeEdLeVaQePaGqAaSkVdKkMiSkCtKaAiSdGdYdTqFlSqSpYwWkIkNwWkEwKwQaRaPpGpKdGdLiEdWtIqGwNiIaYhPnGvSvGgTdVtNdYgDdDvKvFcKpSvKfAwTdLwTdIdDdTnSvSrNsTmAiYmMiQm...
AMCLNTFVLKKEVSETQHGTILIKVEYKGEDAPCKIPFSTRLITANPVVTKKEEPVNIEAEPPFGNIVIGIKALKINWDVQLVEPGAELVQPGASVKMSCKASGYTFSSYWINWEKQRPGKGLEWIGNIYPGSGTVNYDDKFKSKATLTIDTSSNTAYMQLSSLTSEDSAVYYCTRGGSHAMDYWGQGTSVTVSSAKTTPPSVYPLAPGSSVTLGCLVKGYFPESVTVTWNSGSLVHTFPALLQSGLYTMSSSVTVPSSTWPSQTVTCSVAHPASSTTVDKKLEPRDIVMTQSQKFMSTSVGDRVSITCKASQNVRTSVA...
4ALA_1_k12
0
-3.9
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s744
Q52828
[C@H1][Branch1][C][CH3][Branch2][Ring1][#Branch1][CH2][CH2][CH2][CH1][Branch1][C][CH3][CH2][CH2][CH2][C@@H1][Branch1][C][CH3][CH2][CH2][CH2][CH1][Branch1][C][CH3][CH3][CH2][CH2][CH0][=CH1][CH0][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][=CH1][CH0][Branch1][Ring1][OH0][H][=CH0][Ring1][N][OH0][H]
CC(C)CCC[C@H](C)CCCC(C)CCC[C@H](C)CCc1cc(C(=O)O)cc(O)c1O
LdYvPvKlLlNvQlLlSvNvSlIlNvAlAlVvAvFlLlLqEvAcRaNdLpElGlWfWrQwDwFwNaFpPpQpAaApSgIiGfDtElWqVlTlAlYlVlGlTlMlLcAlTlLpPpYdApHvVsHlEvAsLlMvQsAsWlEvLvLlKqIvRlDcHpRaPpTqGlEaWdGdYrNdYnIlLaChGhDwAlDqTsTlGlWsAsLcQsLsAcAvAsVnGvAnScDvSpEpRsAnQvQsAsRvAvAsLqAvTvHqLqQdPpNlGlGaIgAaTtFdAdEpEvSrIrRlAvYrIdKpVdPpDvLcAnNpVpSaFlQcGqWnCsGpAgHw...
LYPKLNQLSNSINAAVAFLLEARNLEGWWQDFNFPQAASIGDEWVTAYVGTMLATLPYAHVHEALMQAWELLKIRDHRPTGEWGYNYILCGDADTTGWALQLAAAVGASDSERAQQARAALATHLQPNGGIATFAEESIRAYIKVPDLANVSFQGWCGAHTCVSAAVAALPEFRSRLHDYLRVTQTSQGNWEGYWWSDHEYTTALTAEALAAGGQAADQPSIEQAVAWGLKRLCPQGFVATSKHPNGSTFATAWCLRLLLLNTVDAEVKAARAAAIGWLLEQQRPNGSWVSSAYLRIPYPFDRNPNQFPHWRYYDEIEGD...
6SBG_1_k12
1
-9.9
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28557
P68136
[CH2][CH2][OH0][CH2][CH2][OH0][CH2][CH2][OH0][CH2][CH2][OH0][CH2][CH2][OH0][CH2][CH2][OH0][Ring2][Ring1][C]
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s325
Q9H930
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5PY9_1_k12
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448340
P20813
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FDLASLAIYSFWIFLAGLIYYLQTENMREGYPLENEDGTPAANQGPFPLPKPKTFILPHGRGTLTVPGPESEDRPIALARTAVSEGFPHAPTGDPMKDGVGPASWVARRDLPELDGHGHNKIKPMKAAAGFHVSAGKNPIGLPVRGCDLEIAGKVVDIWVDIPEQMARFLEVELKDGSTRLLPMQMVKVQSNRVHVNALSSDLFAGIPTIKSPTEVTLLEEDKICGYVAGGLMYAAPKRKSALLSFERKYRVPGGTLVGGNLFDFWVGPFYVGFFGVATFFFAALGIILIAWSAVLQGTWNPQLISVYPPALEYGLGGAP...
1RG5_1_k12
2
-5.4
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174
Q04771
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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ARDITLLECVGKGRYGEVWRGSWQGENVAVKIFSSRDEKSWFRETELYNTVMLRHENILGFIASDMTSRHSSTQLWLITHYHEMGSLYDYLQLTTLDTVSCLRIVLSIASGLAHLHIEIFGKPAIAHRDLKSKNILVKKNGQCCIADLGLAVMHSQSTNQLDVGNNPRVGTKRYMAPEVLDETIQVDCFDSYKRVDIWAFGLVLWEVARRMVSNGIVEDYKPPFYDVVPNDPSFEDMRKVVCVDQQRPNIPNRWFSDPTLTSLAKLMKECWYQNPSARLTALRIKKTLTKID
5S8A_2_k12
0
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153274130
P0DTC1
[CH2][Branch1][#C][C@H1][Branch1][=Branch1][NH0][Branch1][C][H][H][CH0][=Branch1][C][=OH0][OH0][H][CH2][CH2][NH0][Branch1][C][H][CH0][Branch1][C][CH3][=N+1][Branch1][C][H][H]
CC(=[NH2+])NCCC[C@H](N)C(=O)O
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VDQATLDKLEAGFKKLQEASDCKSLLKKHLTKDVFDSIKNKKTGMGATLLDVIQSGVENLDSGVGIYAPDAESYRTFGPLFDPIIDDYHGGFKLTDKHPPKQWGDINTLVGLDPAGQFIISTRVRCGRSLQGYPFNPCLTAEQYKEMEEKVSSTLSSMEDELKGTYYPLTGMSKATQQQLIDDHFLFKEGDRFLQTANACRYWPTGRGIFHNDAKTFLVWVNEEDHLRIISMQKGGDLKTVYKRLVTAVDNIESKLPFSHDDRFGFLTFCPTNLGTTMRASVHIQLPKLAKDRKVLEDIASKFNLQVRGTRGEHTESEGG...
4GW0_1_k12
2
-5.7
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284
P02768
[CH1][=Branch1][C][=OH0][OH0][H]
O=CO
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GHMSLENVAFNVVNKGHFDGQQGEVPVSIINNTVYTKVDGVDVELFENKTTLPVNVAFELWAKRNIKPVPEVKILNNLGVDIAANTVIWDYKRDAPAHISTIGVCSMTDIAKKPTETICAPLTVFFDGRVDGQVDLFRNARNGVLITEGSVKGLQPSVGPKQASLNGVTLIGEAVKTQFNYYKKVDGVVQQLPETYFTQSRNLQEFKPRSQMEIDFLELAMDEFIERYKLEGYAFEHIVYGDFSHSQLGGLHLLIGLAKRFKESPFELEDFIPMDSTVKNYFITDAQTGSSKCVCSVIDLLLDDFVEIIKSQDLSVVSKV...
6XDH_3_k12
0
-1.9
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12374
P04058
[CH2][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][CH2][OH0][H]
OCCCCCCO
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FEEAFNKLLKEVLEFNLENPFEDAKKVICIEPHPDDCAIGMGGTIKKLSDEGVEVIYICMTDGYMGTTDEKLSGHELALIRRREEEESAKLLGVRKIYWLNYRDTELPYSREVRKDLVKIIRKEKPDGVFAPDPWLPYESHPDHRRTGFLAIESVAFSQLPNFSNIDIDIGLKPHSVSFIALYYTHKPNYIVDITDLMELKLKAIRAHRSQFTDDIWETWEPFLRTVTMFYGEKIGVRYGEGFRVMPGLFYHITPFADLIAFNKLLKEVLEFNLENPFEDAKKVICIEPHPDDCAIGMGGTIKKLSDEGVEVIYICMTDG...
4XM1_1_k12
0
-4
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s171
P30920
[CH2][C@H1][Branch1][=C][SH0][CH2][CH2][NH0][Branch1][C][H][CH2][NH0][Branch1][C][H][H][C@H1][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][NH0][Branch1][C][H][C@H1][Ring2][Ring1][Ring1][C@H1][Branch1][=Branch1][CH0][Branch1][C][OH1][=OH0][C@@H1][Branch1][C][CH3][OH0][H]
C[C@@H](O)[C@@H](C(=O)O)[C@H]1C[C@H](SCCNCN)[C@H](C(=O)O)N1
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6PK0_1_k12
2
-5.8
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6950271
B1JQJ4
[OH0][Branch1][Branch2][CH2][C@H1][Branch1][C][CH3][OH0][H][CH2][C@H1][Branch1][C][CH3][OH0][H]
C[C@H](O)COC[C@H](C)O
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5O38_2_k12
0
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753
P9WFX5
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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4OWQ_1_k12
0
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s691
P04642
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CC1Nc2ccc(NC(=O)CCNC(N)=O)cc2S1
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4AJK_1_k12
2
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445184
P27000
[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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DNILYSGETLSTGEFLNYGSFVFIMQEDCNLVLYDVDKPIWATNTGGLSRSCFLSMQTDGNLVVYNPSNKPIWASNTGGQNGNYVCILQKDRNVVIYGTDRWATGTHT
1NIV_2_k12
0
-4.5
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753
Q7VD38
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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LGSPEFMSGSTLLKETGPREVFCGLTSIVWLHRRMPDAFFLVVGSRTCAHLIQSAAGVMIFAEPRFGTAILEERDLAGLADAHEELDRVVKSLLKRRPEIRTLFLVGSCPSEVIKIDLSRAAERLSSQFNGQVRILNYSGSGIETTFTQGEDGALKALVPLMPSSQEEQLLLAGTLANPVEDRLKTIFNRLGIQKVESFPPRESTKLPAIGPGTKVLLAQPYLTDTARELKDRGAEILQAPFPLGVEGSQLWIEAAANAFKIKKTLVDATLEPLITRAHKALKPYVEQLSGKKLFLLPESQLEIPLARFLSNECGMKLIE...
2YNM_1_k12
0
-4.2
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444205
P0A9B5
[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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3Q13_1_k12
0
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174
P11759
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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8P9J_1_k12
0
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174
Q9LMU0
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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8EWU_2_k12
0
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444885
P36845
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2WBW_1_k12
0
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s636
P00734
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1TB6_12_k12
0
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s528
Q3Z4C0
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CC1=C(C2C=CNC(Nc3ccc(C(F)(F)F)cc3)N2)SC(C)N1
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1PXL_1_k12
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62551
Q8DIQ1
[CH2][Branch1][=Branch2][OH0][CH2][CH2][OH0][CH2][CH2][OH0][H][CH2][OH0][CH2][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCOCCOCCO
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7R2I_1_k12
0
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5232593
Q9DCM0
[NH0][Branch1][C][H][CH2][NH0][Branch1][C][H][CH1][=CH1][Ring1][#Branch1]
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5VE4_3_k12
0
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s418
Q9SQL2
[CH2][Branch1][P][CH2][CH2][C@@H1][Branch1][Ring1][OH0][H][CH2][CH2][CH2][CH0][=Branch1][C][=OH0][OH0][H][CH2][CH2][CH1][=CH1][CH2][CH1][=CH1][CH2][CH2][CH2][CH2][CH3]
CCCCCC=CCC=CCCCCC[C@@H](O)CCCC(=O)O
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3DZT_2_k12
1
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5494392
P02945
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CCOC(=O)[C@@H](O)CC(=O)N[C@H](C(=O)O)[C@@H](C)CC
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2DC8_1_k12
2
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444205
O11283
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6WEZ_3_k12
0
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24764427
P0DOX7
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2R43_1_k12
1
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12389
Q9SIE1
[CH2][Branch1][#Branch1][CH2][CH2][CH2][CH2][CH2][CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH3]
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1XJI_6_k12
0
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3050
B2KI64
[P@][=Branch1][C][=OH0][Branch1][Ring2][OH0][CH2][CH3][Branch1][Ring2][OH0][CH2][CH3][CH2][CH0][=CH1][CH1][=CH0][Branch1][C][CH3][CH1][=CH1][Ring1][#Branch1]
CCOP(=O)(Cc1ccc(C)cc1)OCC
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SIGTGDRINTVRGPITISEAGFTLTHEHICGSSAGFLRAWPEFFGSRKALAEKAVRGLRRARAAGVRTIVDVSTFDIGRDVSLLAEVSRAADVHIVAATGLWFDPPLSMRLRSVEELTQFFLREIQYGIEDTGIRAGIIKVATTGKATPFQELVLKAAARASLATGVPVTTHTAASQRDGEQQAAIFESEGLSPSRVCIGHSDDTDDLSYLTALAARGYLIGLDRIPFSAIGLEDNASASALLGIRSWQTRALLIKALIDQGYMKQILVSNDWLFGFSSYVTNIMDVMDRVNPDGMAFIPLRVIPFLREKGVPQETLAGI...
3E3H_1_k12
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88508108
Q5ZZB7
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O=C[C@H](O)[C@H](O)[C@@H](O)COP(=O)(O)O
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HHMSELKIKAAKAAIAYIEDDMVIGVGTGSTVNFFIKELAAIKHKIEACVASSKATEALLRAEGIPVIDLNSVQDLPIYVDGADEVNERGEMIKGGGGALTREKIVANVATQFICIVDESKVVKRLGEFPVAVEVIPMARSFVARQIVKLGGDPEYREGFVTDNGNIILDVFNLSFSTPMALEDSLNVIPGVVENGVFAKRLADKVLVASASGVNNLK
6MC0_1_k12
2
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12444980
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6RL2_1_k12
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767
P01857
[CH0][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][OH0][H]
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1CL1_1_k12
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753
P75864
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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6UQB_1_k12
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s663
P38998
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4GBW_2_k12
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s934
P0DTC1
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CN1[C@@H](CNc2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)CN[C@@H]2NC(N)NC(O)[C@@H]21
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1U1J_2_k12
1
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174
Q9HAU4
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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MNSQPFKLDPKMTHKKLKISNDGLQMEKDPERFSGTGCYGAAGNIFIDSGCHYWEVVMGSSTWYAIGIAYKSAPKNEWIGKNASSWVFSRCNSNFVVRHNNKEMLVDVPPHLKRLGVLLDYDNNMLSFYDPANSLHLHTFDVTFILPVCPTFTIWNKSLMILSGLPAPDFI
7QRZ_1_k12
0
-3.2
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273
Q8CM25
[CH2][Branch1][Branch2][CH2][CH2][NH0][Branch1][C][H][H][CH2][CH2][NH0][Branch1][C][H][H]
NCCCCCN
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KVVIIGAGFAGLVAARELQTAGIEYEILEAKDRIGGRAWTEERMGRPLELGATWVHWFQAHTWTEIMRYGQRTEITASPSGNDAHWVTDGKVVKGTEDDLDEKLTAAMGVTYEGSEEYFPNPHDPLWVLSDDFDGPAEVRERFLSDDQTNAIDLVKEAGFDQETIDLVDAFWCAGYIGDPYTGSALMAKQWGALSDNRYRVMEDITLKWKLNNGMRSLYDGIAGDLNTDIRLNTPVAKVEHHDNGATVTTESGEVIEASAVICTVPVGALSNIEFSPALPDAVQSVIDDKWNSQGAKIWIKIKGHHRFLGYAPKPAKMSV...
8EEO_1_k12
0
-4
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s549
Q9UJM8
[C@@H1][Branch1][N][CH2][OH0][P@][=Branch1][C][=OH0][Branch1][C][OH1][OH0][H][OH0][C@@H1][Branch2][Ring1][=C][NH0][CH1][NH0][Branch1][C][H][CH2][NH0][Branch1][C][H][CH0][Branch1][=Branch1][NH0][Branch1][C][H][H][=CH0][Ring1][O][NH0][Branch1][C][H][CH2][Ring1][#C][C@H1][Branch1][Ring1][OH0][H][C@@H1][Ring2][Ring1][=N][O...
NC1=C2NCN([C@@H]3O[C@@H](COP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]3O)C2NCN1
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MLSPKDILRKDLKLVHGYPMTCAFASNWEKIEQFHSRPDDIVIATYPKSGTTWVSEIIDMILNDGDIEKCKRGFITEKVPMLEMTLPGLRTSGIEQLEKNPSPRIVKTHLPTDLLPKSFWENNCKMIYLARNAKDVSVSYYHFDLMNNLQPFPGTWEEYLEKFLTGKVAYGSWFTHVKNWWKKKEEHPILFLYYEDMKENPKEEIKKIIRFLEKNLNDEILDRIIHHTSFEVMKDNPLVNYTHLPTTVMDHSKSPFMRKGTAGDWKNYFTVAQNEKFDAIYETEMSKTALQFRTEI
3CKL_2_k12
1
-11.4
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s427
P68136
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4B1Y_5_k12
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s66
Q498M4
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6PGD_1_k12
1
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176
Q9RHG4
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3SVQ_1_k12
0
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s480
P0DP35
[NH0][Branch2][Ring2][Ring2][CH0][=Branch1][C][=OH0][C@H1][Branch1][=Branch2][C@][Branch1][C][CH3][Branch1][C][CH3][CH3][NH0][Branch1][P][CH0][Branch1][=N][NH0][Branch1][C][H][C@][Branch1][C][CH3][Branch1][C][CH3][CH3][=OH0][H][CH2][C@H1][C@@H1][Branch2][Ring2][=Branch1][C@H1][Ring2][Ring1][=Branch1][CH0][Branch2][Ring...
CC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)(C)C)C2(C)C
SdGaFdRdKqMdAaFaPdScGvKlVqElGlCqMwVkQwVkTaCaGdThTaTiLaNiGwLgWaLaDfDqVkVtYkCfPfRlHcVsIlCpTdSpEvDcMqLqNpPhNdYsEvDvLsLvIvRpKdSdNqHvNrFiLfViQdAdGdNpVdQtLwRrVfIdGdHwSdMdQqNaCgVmLiKiLtKgVtDpTgAtNrPpKsTnPfKaYeKeFfVdRaIdQdPaGlQaTkFwSkVwLqAfCdYaNnGrSgPtSdGdViYgQmCwAgMqRfPpNlFrTkIiKqGdSdFhLdNpGrSrCfGqStVwGtFwNdIdDdYpDgCyVtShFtCh...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTF
8IFR_1_k12
1
-9
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356
P97438
[CH2][Branch1][Ring2][CH2][CH2][CH3][CH2][CH2][CH2][CH3]
CCCCCCCC
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SDSAINVMKWKTVSTIFLVVVLYLIIGATVFKALEQPQEISQRTTIVIQREKFLRAHPCVSDQELDELIQQIVAAINAGSHWDLGSSFFFAGTVITTIGFGNISPRTEGGKIFCIIYALLGIPLFGFLLAGVGDQLGTIFGKGIAKVEDTFIKWNVSQTKIRIISTIIFILFGCVLFVALPAVIFKHIEGWSALDAIYFVVITLTTIGFGDYVAGGSDIEYLDFYKPVVWFWILVGLAYFAAVLSMIGDWLRVIAKKTKEAVGEFRAHAAEWTANVDSAINVMKWKTVSTIFLVVVLYLIIGATVFKALEQPQEISQRTT...
6W87_1_k12
0
-3.3
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s723
Q57764
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4O4L_1_k12
1
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s95
P03372
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NC1=C2NCN([C@@H]3O[C@@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]3O)[C@@H]2NCN1
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4PWY_3_k12
1
-7.4
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753
D0ZY51
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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4XX7_2_k12
0
-3.8
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444205
P60016
[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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SWEVGCGAPVPLVKCDENSPYRTITGDCNNRRSPALGAANRALARWLPAEYEDGLALPFGWTQRKTRNGFRVPLAREVSNKIVGYLDEEGVLDQNRSLLFMQWGQIVDHDLDFAPETELGSNEHSKTQCEEYCIQGDNCFPIMFPKNDPKLKTQGKCMPFFRAGFVCPTPPYQSLAREQINAVTSFLDASLVYGSEPSLASRLRNLSSPLGLMAVNQEAWDHGLAYLPFNNKKPSPCEFINTTARVPCFLAGDFRASEQILLATAHTLLLREHNRLARELKKLNPHWNGEKLYQEARKILGAFIQIITFRDYLPIVLGSE...
3GCJ_1_k12
2
-5
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6503
O26061
[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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QFRAIIESPEGAGHVGYQYRRNTGSTMRMVSDVLDERVSLWDFHCDPSGNVIQPGPNVDSRQYLQAAIDYVSSNGGGTITIPAGYTWYLGSYGVGGIAGHSGIIQLRSNVNLNIEGRIHLSPFFDLKPFQVFVGFDNGDPASSGNLENCHIYGHGVVDFGGYEFGASSQLRNGVAFGRSYNCSVTGITFQNGDVTWAITLGWNGYGSNCYVRKCRFINLVNSSVNAAHSTVYVNCPYSGVESCYFSMSSSFARNIACSVELHQHDTFYRGSTVNGYCRGAYVVMHAAEAAGAGSYAYNMQVENNIAVIYGQFVILGSDVT...
4XL9_2_k12
0
-2.5
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s41
Q8DIQ1
[CH2][Branch2][Ring1][Branch2][CH0][=CH1][NH0][Branch1][C][H][CH0][=CH0][Ring1][=Branch1][NH0][Branch1][C][H][CH2][NH0][Branch1][C][H][CH0][Ring1][Branch2][=OH0][NH0][Branch1][C][H][C@@H1][Branch1][Ring2][CH2][OH0][H][CH2][CH2][P@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][OH0][H]
O=C1NCNc2c(CN[C@@H](CO)CCP(=O)(O)O)c[nH]c21
HdVdVwSdRaNdApEvGrVfIiVdVdDpGnKrAtYdPnMfAfEpEfLfVfAwTfElSvVlIlQlRvSlIlKlAvVlAlKlQvIvAlDvFvYqRqPaLdSkHwRqDqTpHqGvGnGdGgViAdPhIaSdDlEnNaPaLaIeIeIeSeVeLpKdGlScYpIlFvTvAvDsMnVvRvYsLnGvDvYsGvLhPnHyVdVyDwFyLwRyVwAdSdYvKpMiQdLtLpAgEdTtQpFdKdAaLqRaGgKhHhVyLeIyLeEeDaIeVdDfSqGnKvTvLvRvYvIvLvDvKvVcQcRvErHrQvPhAnTyLyKfVyCaVyLsAeDy...
HVVSRNAEGVIVVDGKAYPMAEELVATESVIQRSIKAVAKQIADFYRPLSHRDTHGGGGVAPISDENPLIIISVLKGSYIFTADMVRYLGDYGLPHVVDFLRVASYKMQLLAETQFKALRGKHVLILEDIVDSGKTLRYILDKVQREHQPATLKVCVLADKPGGRRVTMQPDFVCLTVPNKYVIGYGFEVNDRFRCFRHIFTLRPGEARRYPAHL
8FX1_1_k12
1
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s134
A5KE01
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NC1C=CN([C@H]2CC[C@H](COP(O)O)O2)C(=O)N1
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2JEF_1_k12
2
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447629
P62695
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OC[C@@H]1C[C@H](O)[C@@H](O)[C@H](O)O1
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5O59_2_k12
2
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s438
O52538
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2E1Z_1_k12
1
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s139
C5D5K7
[CH2][Branch2][Ring1][Ring1][CH2][CH2][CH1][NH0][Branch1][C][H][CH1][=CH0][Branch1][Ring2][CH2][OH0][H][NH0][Ring1][=Branch2][H][CH2][NH0][Branch1][=C][CH0][=Branch1][C][=OH0][CH2][CH0][=CH1][CH1][=CH1][CH1][=CH1][Ring1][=Branch1][H]
O=C(Cc1ccccc1)NCCCCC1NC=C(CO)N1
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6PGB_1_k12
1
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174
Q460N3
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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5VZE_1_k12
0
-2.6
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176
O07608
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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2QT5_2_k12
0
-2.2
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753
Q8WZM3
[CH2][Branch1][=Branch2][C@H1][Branch1][Ring1][OH0][H][CH2][OH0][H][OH0][H]
OCC(O)CO
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MITAQAVLYTQHGEPKDVLFTQSFEIDDDNLAPNEVIVKTLGSPVNPSDINQIQGVYPSKPAKTTGFGTTEPAAPCGNEGLFEVIKVGSNVSSLEAGDWVIPSHVNFGTWRTHALGNDDDFIKLPNPAQSKANGKPNGLTINQGATISVNPLTAYLMLTHYVKLTPGKDWFIQNGGTSAVGKYASQIGKLLNFNSISVIRDRPNLDEVVASLKELGATQVITEDQNNSREFGPTIKEWIKQSGGEAKLALNCVGGKSSTGIARKLNNNGLMLTYGGMSFQPVTIPTSLYIFKNFTSAGFWVTELLKNNKELKTSTLNQII...
1GUF_1_k12
0
-3.4
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176
P29473
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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GRSLELGAADIQDLESFEAGRGALPARAYLQSDAPRLSLNGEWQFRLSPGSRVAPDDGWQLGEALNGFESLPVPSSWPMHGHGAPAYTNVQFPFAVEPPHVPEANPIGDHLVVFEAGPEFFPHALLRFDGIESAGTVWLNGVELGTTRGSRLAHEFDVSGILEQGENTLAVRVAQFSAASYVEDQAMWWLPGIFRDVTLQARPAAGIDDVFVHAGYDHITGEGILKVEASRGGQAIDAVVRVPELALELAAGTEVRVPAVEPWSAEVPKLYEAAVSAAGESVALQIGFRSIAIEDAQFKVNGRRILLRGVNRHEHHPRLG...
6ZJX_1_k12
0
-2.7
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447053
P81461
[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
NdNqClLvNvAlAvKvAvCqNcLvNdDvTqCsKvKvYlRqSvAvYlIvSdPqClTqSpRaVdSdTpApEgVrCgNdKqRlKsCnHlKvAsLlRlQvFnFvDvKrVpPdPcKlHrSlYlGsMnLlYlCaSdCdPpLlQpSdAdCsSvEvRsRnRqQpTsIsVpPcAvCrShYaEdDdKdEdRqPaNaCvLvTvLlQvVvSqClKvTvNdYpIqCsRvSvRlLvAvDqFqFcTqNfClQpPaEdPpLpSdLpSlGrCtLpKvEpNdYlAvDsCnLvLvSsYlSsGsLcIrGsTpVsMqThPkNgYfLdRpSdPsKaItSfVi...
NNCLNAAKACNLNDTCKKYRSAYISPCTSRVSTAEVCNKRKCHKALRQFFDKVPPKHSYGMLYCSCPLQSACSERRRQTIVPACSYEDKERPNCLTLQVSCKTNYICRSRLADFFTNCQPEPLSLSGCLKENYADCLLSYSGLIGTVMTPNYLRSPKISVSPFCDCSSSGNSKEECDRFTEFFTDNACLRNAIQAFGNGTG
8OS6_2_k12
0
-2.8
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1032
O83080
[CH0][=Branch1][C][=OH0][Branch1][Ring1][CH2][CH3][OH0][H]
CCC(=O)O
NdVeLeFeTeSlVdPpQpEvDcVpPvFvYcQcEvAlLvKvDvLdSdLyKdIyYyTvThDeVpSvKpVdPdElNvEvLqKqKpAhEqLeIySeVyFeVqYpDrKqLaTdEpEvLsLcSvKsMrPpRnLhKaLeIyHeTyRlSaVlGaFdDpHsIhDpLvDvYvCcKlKvKvGnIhLwVyTfHyIdPnApYlSdPlEpSlVlAlEvHvTqFvAvMlIvLvTcLqVqKqRlLvKlRvIvEvDvRcVvKvKvLvNnFpSdQdDdSdEvIrLdAgRdEaLlNlRvLfTeLeGeVeIeGdTcGpRsInGrSvRsVnAlMvYvGsLv...
NVLFTSVPQEDVPFYQEALKDLSLKIYTTDVSKVPENELKKAELISVFVYDKLTEELLSKMPRLKLIHTRSVGFDHIDLDYCKKKGILVTHIPAYSPESVAEHTFAMILTLVKRLKRIEDRVKKLNFSQDSEILARELNRLTLGVIGTGRIGSRVAMYGLAFGMKVLCYDVVKREDLKEKGCVYTSLDELLKESDVISLHVPYTKETHHMINEERISLMKDGVYLINTARGKVVDTDALYRAYQRGKFSGLGLDVFEDEEILILKKYTEGKATDKNLKILELACKDNVIITPHIAYYTDKSLERIREETVKVVKAFVKGD...
3KB6_1_k12
0
-3.5
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753
Q4WL81
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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6YGF_5_k12
0
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8117
P0C7B7
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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5OIW_4_k12
0
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174
Q31U29
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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6OAD_4_k12
0
-1.8
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s725
P0AGD7
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7O9I_1_k12
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s21
Q9F309
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CC1NC=C(COP(=O)(O)O)C(CNCC(=O)O)=C1O
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7X5O_2_k12
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311
Q8Y8D7
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7ZZC_1_k12
2
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753
Q9H2X3
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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2RL3_1_k12
0
-3.1
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679
A0R033
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
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6DZO_1_k12
0
-2.1
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s212
Q6QLL4
[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][=OH0][Branch1][C][OH1][OH0][H][=CH1][Ring2][Ring1][C]
CC1=C(O)C(C)NC=C1COP(=O)(O)O
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7TCS_2_k12
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s582
Q00719
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6CTT_1_k12
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s584
Q834R3
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4O7U_3_k12
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444205
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s449
Q2VEQ7
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MHIERLAVDESVGRAMPPQRFIEALSDLGVPVEFAGEDEQFGPGDAVASFGHRDAFLDADWVHCIRAGYDEFPVGVYEEAGTYLTNSTGIHGTTVGETVAGYMLTFARRLHAYRDAQHDHAWDLPRYEEPFTLAGERVCVVGLGTLGRGVVDRAAALGMEVVGVRRSGDPVDNVSTVYTPDRLHEAIADARFVVLATPLTDETEGMVAAPEFETMREDASLVNVARGPVVVESDLVAALDSGDIAGAALDVFSEEPLPEDSPLWDFEDVLITPHVSAATSKYHEDVAALIRENIEKIATGDELTNRVV
5MH5_1_k12
1
-12.2
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55284141
P00760
[CH0][Branch1][Branch2][CH2][CH2][NH0][Branch1][C][H][H][=CH1][NH0][Branch1][C][H][CH2][NH0][Ring1][O][H]
NCCC1=CNCN1
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3RXH_3_k12
2
-5
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s172
P00760
[C@@H1][Branch1][=Branch1][NH0][Branch1][C][CH3][H][CH2][CH2][CH0][=CH1][CH0][Branch1][Ring1][OH0][CH3][=CH0][Branch1][Ring1][OH0][CH3][CH0][Branch1][Ring1][OH0][CH3][=CH0][Ring1][N][C@H1][CH2][CH2][C@@H1][Branch1][Ring1][OH0][CH3][CH0][=Branch1][C][=OH0][CH2][C@@H1][Ring2][Ring1][N][Ring1][#Branch2]
CN[C@@H]1CCc2cc(OC)c(OC)c(OC)c2[C@H]2CC[C@@H](OC)C(=O)C[C@H]21
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5XKE_1_k12
1
-9.4
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174
O06834
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
KdReIeAeIeVeGaAlGfQlSlGrLlQlLlGlLlGlLvLlAvAvGpYyEaVyTeMyFeSyNqRdTaGlEvDcIlRqRpGaKfVfMdSdSqQqCwMaFdDdTvSlLvQvIlEcRvDvLsGvLqDpHpWcAvSpDqCfPdTwVaDfGwIaGwLeAwVePcHdPpEpQdKpGlAdKtVpIfDtWdAmAaRtLaNpAdStAiQaSgVeDtQrRsLpKrIsPsAvWsMvDvEvFsQvKvKsGpGyEhLyVhFyKdDpAdGaIlDvEvLvEvAvCcTlQvSvHgDlLaTyLeVyAaShGfKpGdEpIrSlKpLlFfEaRfDdAvHv...
KRIAIVGAGQSGLQLGLGLLAAGYEVTMFSNRTGEDIRRGKVMSSQCMFDTSLQIERDLGLDHWASDCPTVDGIGLAVPHPEQKGAKVIDWAARLNASAQSVDQRLKIPAWMDEFQKKGGELVFKDAGIDELEACTQSHDLTLVASGKGEISKLFERDAHKSPYDKPQRALALTYVKGMAPREPFSAVCMNLIPGVGEYFVFPALTTTGPCEIMVFEGVPGGPMDCWADVKTPEEHLARSKWILDTFTPWEAERCKDIELTDDNGILAGRFAPTVRKPVATLPSGRKVLGLADVVVLNDPITGQGSNNAAKCADTYLKSI...
7Z97_1_k12
0
-2.8
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753
P0DOX7
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
DdNdQpRdQpYwPdRkTdPfLdKwCfRwIkRwIkSaHaPpLpFpGgEiLdMiAwQiTwRgDiLdStDpTwGwVtYwVtKfHdPqDvLqTqQpLpPdTfGqSgVwViTwGmQfVtQpDdLdPpIdDgAgPdIiLfQiMwEtVfVhRhVhDdArEtGtVtGiLiRtFtLdSdEd
DNQRQYPRTPLKCRIRISHPLFGELMAQTRDLSDTGVYVKHPDLTQLPTGSVVTGQVQDLPIDAPILQMEVVRVDAEGVGLRFLSE
8U0I_1_k12
0
-2.6
[0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0]
[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
[0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0]
[0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0]
753
O60885
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
LdDeRpAvDvIlLqYvNvIlRqQvTdSaRpPqDpVdIqPqTdQdRpDlRaPaVwAeVkSeVwSdLkKaFwIaNaIwLaEdVaNdEqIvTqNqEkVtDkVtVkFtWkQiQkTmTkWtSfDrRqTvLsAaWdNdSvSpHvSyPdDqQkVdSkVhPaIsSvSsLhWhVdPfDqLkAdAwYpNfAfIdSdKpPwEdVfLdTdPrQrLiAwRmVaVgSnDrGrEmViLiYgMiPtSiItRiQtRmFgSrCfDrVqSpGcVqDaTpEpSqGaAtTkCgRkIiKkImGfSgWpTpHdHfSnRrEhIhSdVyDdPyTdDpDrScEpYn...
LDRADILYNIRQTSRPDVIPTQRDRPVAVSVSLKFINILEVNEITNEVDVVFWQQTTWSDRTLAWNSSHSPDQVSVPISSLWVPDLAAYNAISKPEVLTPQLARVVSDGEVLYMPSIRQRFSCDVSGVDTESGATCRIKIGSWTHHSREISVDPTDDSEYFSQYSRFEILDVTQKKNSVTYSCCPEAYEDVEVSLNFRKKLDRADILYNIRQTSRPDVIPTQRDRPVAVSVSLKFINILEVNEITNEVDVVFWQQTTWSDRTLAWNSSHSPDQVSVPISSLWVPDLAAYNAISKPEVLTPQLARVVSDGEVLYMPSIRQR...
4NZB_5_k12
0
-3.1
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s643
P9WP01
[CH0][Branch2][Ring1][Ring2][S@][=Branch1][C][=OH0][=Branch1][C][=OH0][NH0][CH2][CH2][NH0][Branch1][C][H][CH2][C@@H1][Ring1][#Branch1][CH3][=CH1][CH1][=CH1][CH0][=CH1][NH0][Branch1][C][H][CH1][=CH1][CH1][Ring2][Ring1][=Branch1][Ring1][#Branch1]
C[C@H]1CNCCN1S(=O)(=O)C1=CC=CC2=CNC=CC21
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GHMGNAAAAKKGSEQESVKEFLAKAKEEFLKKWESPSQNTAQLDHFDRIKTLGTGSFGRVMLVKHKETGNHYAMKILDKQKVVKLKQIEHTLNEKRILQAVNFPFLVKLEFSFKDNSNLYMVMEYVPGGEMFSHLRRIGRFSEPHARFYAAQIVLTFEYLHSLDLIYRDLKPENLLIDQQGYIQVTDFGFAKRVKGRTWTLCGTPEYLAPEIILSKGYNKAVDWWALGVLIYEMAAGYPPFFADQPIQIYEKIVSGKVRFPSHFSSDLKDLLRNLLQVDLTKRFGNLKNGVNDIKNHKWFATTDWIAIYQRKVEAPFIPK...
5LCU_2_k12
1
-8.8
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8189
P11838
[CH2][Branch1][=Branch1][OH0][CH2][CH2][OH0][CH3][CH2][OH0][CH2][CH2][OH0][CH3]
COCCOCCOCCOC
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STGSATTTPIDSLDDAYITPVQIGTPAQTLNLDFDTGSSDLWVFSSETTASEVDGQTIYTPSKSTTAKLLSGATWSISYGDGSSSSGDVYTDTVSVGGLTVTGQAVESAKKVSSSFTEDSTIDGLLGLAFSTLNTVSPTQQKTFFDNAKASLDSPVFTADLGYHAPGTYNFGFIDTTAYTGSITYTAVSTKQGFWEWTSTGYAVGSGTFKSTSIDGIADTGTTLLYLPATVVSAYWAQVSGAKSSSSVGGYVFPCSATLPSFTFGVGSARIVIPGDYIDFGPISTGSSSCFGGIQSSAGIGINIFGDVALKAAFVVFNGA...
7QMO_3_k12
0
-3.2
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5288845
O34453
[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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GPSFPEPKVVRSQGGLLSLKLSATPTPLAIAGQRATLLTYGGSFPGPTLRVRPRDTVRLTLENRLPEPTNLHWHGLPISPKVDDPFLEIPPGESWTYEFTVPKELAGTFWYHPHLHGRVAPQLFAGLLGALVVESSLDAIPELREAEEHLLVLKDLALQGGRPAPHTPMDWMNGKEGDLVLVNGALRPTLVAQKATLRLRLLNASNARYYRLALQDHPLYLIAADGGFLEEPLEVSELLLAPGERAEVLVRLRKEGRFLLQALPYDRGAMGMMDMGGMAHAMPQGPSRPETLLYLIAPKNPKPLPLPKALSPFPTLPAPV...
5G3C_2_k12
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P07711
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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