Datasets:
Zhaohan-Meng
/
InteractBind

Dataset card Data Studio Files
xet
 Community
1
pubchem_id
string
uniprot_id
string
selfies
string
smiles
string
saprot
string
fasta
string
att_site
string
label
int64
affinity
float64
Hydrogen bonding_binding_site
string
Salt Bridges_binding_site
string
π–π Stacking_binding_site
string
Cation–π_binding_site
string
Hydrophobic_binding_site
string
Van der Waals_binding_site
string
Overall_binding_site
string
753
P30613
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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GSIAIDDSAAVQRLTGLLNKAQTLTARFSQLTLDGSGTRLQETAGQLSLKRPGLFRWHTDAPNEQLLISNGEKVWLYDPDLEQVTIQKLDQRLTQTPALLLSGDISKISESFAITYKEGGNVVDFVLKPKTKDTLFDTLRLSFRSGKVNDMQMIDGVGQRTNILFFDVKMNEALDAKQFTFDVPPGVDVIQE
2W7Q_1_k12
0
-3.3
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174
P13240
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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6DYY_2_k12
0
-2.1
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174
Q6P988
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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7VDP_1_k12
0
-2.1
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90655273
P25043
[CH2][Branch1][#Branch2][CH2][NH0][CH2][CH2][OH0][CH2][CH2][Ring1][=Branch1][S@@][Branch1][Ring1][OH0][H][Branch1][Ring1][OH0][H][OH0][H]
OS(O)(O)CCN1CCOCC1
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TTIVGVKFNNGVVIAADTRSTQGPIVADKNCAKLHRISPKIWCAGAGTAADTEAVTQLIGSNIELHSLYTSREPRVVSALQMLKQHLFKYQGHIGAYLIVAGVDPTGSHLFSIHAHGSTDVGYYLSLGSGSLAAMAVLESHWKQDLTKEEAIKLASDAIQAGIWNDLGSGSNVDVCVMEIGKDAEYLRNYLTPNVREEKQKSYKFPRGTTAVLKESIVNICDIQEE
5L5T_2_k12
0
-4.7
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8200
Q8C9A2
[OH0][Branch1][Branch2][CH2][CH2][OH0][CH2][CH2][OH0][H][CH2][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCOCCO
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6OZN_5_k12
0
-2.6
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174
P30376
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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4JFP_2_k12
0
-3.3
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s478
P56817
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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]3O)C2NCN1
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SIPKATAKRLSLYYRIFKRFNTDGIEKASSKQIADALGIDSATVRRDFSYFGELGRRGFGYDVKKLMNFFAEILNDHSTTNVMLVGCGNIGRALLHYRFHDRNKMQISMAFDLDSNDLVGKTTEDGIPVYGISTINDHLDSDIETAILTVPSTEAQEVADILVKAGIKGILSFSPVHLTLPKDIIVQYVDLTSELQTLLYFMNQQRSIPKATAKRLSLYYRIFKRFNTDGIEKASSKQIADALGIDSATVRRDFSYFGELGRRGFGYDVKKLMNFFAEILNDHSTTNVMLVGCGNIGRALLHYRFHDRNKMQISMAFDLD...
3KEO_1_k12
1
-11.1
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174
P20917
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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5KGA_4_k12
0
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s107
P21836
[CH1][=CH1][CH0][Branch2][Ring1][=Branch2][NH0][Branch1][C][H][CH0][=CH1][CH1][=CH1][CH0][=CH1][CH0][Branch1][C][ClH0][=CH1][NH0][Branch1][C][H][CH1][Ring1][N][Ring1][Branch2][=CH1][CH0][Branch2][Ring1][=Branch1][C@@][Branch1][C][CH3][NH0][Branch1][C][H][CH1][Branch1][=Branch1][NH0][Branch1][C][H][H][CH2][OH0][CH2][Rin...
C[C@@]1(c2cccc(NC3=CC=CC4=CC(Cl)=CNC43)c2)COCC(N)N1
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RGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGSVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVASIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDCYKFAISQSSTGTVMG...
5F00_2_k12
1
-8.4
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449006
P0C0Y7
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CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OCC[N+](C)(C)C
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2HH1_8_k12
2
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753
Q8IXJ6
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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HMERLLDELTLEGVARYMQSERCRRVICLVGAGISTSAGIPDFRSPSTGLYDNLEKYHLPYPEAIFEISYFKKHPEPFFALAKELYPGQFKPTICHYFMRLLKDKGLLLRCYTQNIDTLERIAGLEQEDLVEAHGTFYTSHCVSASCRHEYPLSWMKEKIFSEVTPKCEDCQSLVKPDIVFFGESLPARFFSCMQSDFLKVDLLLVMGTSLQVQPFASLISKAPLSTPRLLINKEKAGQSDPFLGMIMGLGGGMDFDSKKAYRDVAWLGECDQGCLALAELLGWKKELEDLVRREHASIDAQ
5MAR_5_k12
0
-2.5
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83357
Q9WCE1
[CH0][Branch1][Ring2][OH0][CH2][CH3][=CH1][CH1][=CH1][CH1][=CH0][Ring1][=Branch2][NH0][CH2][CH2][NH0][Branch1][C][H][CH2][CH2][Ring1][#Branch1]
CCOc1ccccc1N1CCNCC1
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MLKKKQLTVLDLHPGAGKTRRVLPEIVREAIKKRLRTVILAPTRVVAAEMEEALRGLPVRYMTTAVNVTHSGTEIVDLMCHATFTSRLLQPIRVPNYNLNIMDEAHFTDPSSIAARGYISTRVEMGEAAAIFMTATPPGTRDAFPDSNSPIMDTEVEVPERAWSSGFDWVTDHSGKTVWFVPSVRNGNEIAACLTKAGKRVIQLSRKTFETEFQKTKNQEWDFVITTDISEMGANFKADRVIDSRRCLKPVILDGERVILAGPMPVTHASAAQRRGRIGRNPNKPGDEYMYGGGCAETDEGHAHWLEARMLLDNIYLQDG...
5RHL_1_k12
0
-4.4
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243
Q5R651
[CH0][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][=CH1][CH1][=CH1][CH1][=CH1][Ring1][#Branch2]
O=C(O)c1ccccc1
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DKNELVQKAKLAEQAERYDDMAACMKSVTEQGAELSNEERNLLSVAYKNVVGARRSSWRVVSSIEQKTEKKQQMAREYREKIETELRDICNDVLSLLEKFLIPNASQAESKVFYLKMKGDYYRYLAEVAAGDDKKGIVDQSQQAYQEAFEISKKEMQPTHPIRLGLALNFSVFYYEILNSPEKACSLAKTAFDEAIAELDSYKDSTLIMQLLRDNLTLWTS
5M36_1_k12
0
-3.8
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8200
P00698
[OH0][Branch1][Branch2][CH2][CH2][OH0][CH2][CH2][OH0][H][CH2][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCOCCO
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4FQW_2_k12
0
-3.5
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176
O49686
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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MASELTPEERSELKNSIAEFHTYQLDPGSCSSLHAQRIHAPPELVWSIVRRFDKPQTYKHFIKSCSVEQNFEMRVGCTRDVIVISGLPANTSTERLDILDDERRVTGFSIIGGEHRLTNYKSVTTVHRFEKENRIWTVVLESYVVDMPDDTRMFADTVVKLNLQKLATVAEAMAR
3K90_3_k12
0
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8200
Q9ZEU2
[OH0][Branch1][Branch2][CH2][CH2][OH0][CH2][CH2][OH0][H][CH2][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCOCCO
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4FLQ_2_k12
0
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s93
P05154
[CH1][Branch1][C][CH3][CH0][Branch1][P][CH0][=CH1][CH0][=CH0][Branch1][Branch1][CH1][=CH1][Ring1][=Branch1][OH0][CH2][CH2][OH0][Ring1][Branch2][=CH0][Branch2][Ring1][Branch1][CH0][=CH0][Branch1][Ring1][OH0][H][CH1][=CH0][Branch1][Ring1][OH0][H][CH0][Branch1][Ring1][CH2][CH3][=CH1][Ring1][N][NH0][Branch1][C][H][NH0][Rin...
CCc1cc(C2=C(c3ccc4c(c3)OCCO4)C(C)NN2)c(O)cc1O
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2BT0_1_k12
1
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174
P79800
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
SdGaFdRdKfMdAaFdPdScGpKlVqElGlCfMwVkQwVkTaCaGdThTaTiLaNiGwLgWaLaDfDqVkViYkCfPfRlHcVsIlCpTdSpEvDqMfLqNpPhNpYsEvDvLsLvIvRpKdSdNqHvNrFiLwViQgAdGdNpVdQtLwRrVfIdGdHwSdMdQlNaCrVmLiKiLtKgVtDpTgAtNrPpKsThPwKaYeKeFfVdRaIdQdPaGlQaTkFwSkVwLqAfCdYaNnGsShPtSdGdViYgQmCwAgMqRfPpNlFrTwIiKqGdSdFhLdNpGrSrCfGqStVwGiFwNdIdDdYdDrCyVtShFtCh...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGV
7E18_1_k12
0
-2.2
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7059437
P18670
[C@@H1][Branch1][Ring2][CH2][OH0][H][OH0][C@@H1][Branch2][Ring1][C][NH0][CH0][=Branch1][C][=OH0][NH0][Branch1][C][H][CH0][=Branch1][C][=OH0][CH1][=CH1][Ring1][=Branch2][C@H1][Branch1][Ring1][OH0][H][C@@H1][Ring2][Ring1][Ring1][OH0][H]
O=c1ccn([C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1
GdApMdSpGpRdPpLvDnVvLvEvEvSqLaEqEhTwVkTwVwRaLfKpDvGgDdEiFdTiGaVgLwThGdYaDdQpHlMrNfVtVwIgEaGdEvDhTiTdItIdRgGnDvNgVtVdTdImKgPdGdApMpSpGpRdPpLvDnVvLlEvEvSqLaEqEhTwVkTwVwRaLfKpDvGgDdEiFdTiGaVgLfThGdYaDdQpHqMrNfVtVwIgEaGdEvDhTiTdItIrRgGsDvNgVtVdTdImKgPdGdApMdSpGpRdPpLvDnVvLvEvEvSqLaEqEhTwVkTwVwRaLfKpDvGgDdEiFdTiGaVgLfThGdYa...
GAMSGRPLDVLEESLEETVTVRLKDGDEFTGVLTGYDQHMNVVIEGEDTTIIRGDNVVTIKPGAMSGRPLDVLEESLEETVTVRLKDGDEFTGVLTGYDQHMNVVIEGEDTTIIRGDNVVTIKPGAMSGRPLDVLEESLEETVTVRLKDGDEFTGVLTGYDQHMNVVIEGEDTTIIRGDNVVTIKP
6TFL_1_k12
2
-6.2
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64960
Q9GZ28
[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
DdQaAfGfKaSdPpNlArVfRqYcHgGrGqDdEfIaIeLaQaGqFdHaWqNcVcVlRvEvApPwNqDcWqYlNvIvLlRlQvQcAqAlTvIcAlAvDlGpFgSqAaIyWeMdPfVaPqWaRaDkFpSdSwWdSdDdGdSqKdSiGhGtGgErGrYqFaWhHaDeFnNqKrNcGhRgYnGhShDpAvQsLlRlQsAnAlSvAsLnGvGvAsGnVyKaVyLaYyDeVdVhPlNfHfMyNnRqGpYdPdDdKyEpIdNhLdPdAaGcQpGlFqWaRqNvDsCfAdDdPpGaNqYaPaNdDpCsDwDhGfDgRaFdIvGvGsDr...
DQAGKSPNAVRYHGGDEIILQGFHWNVVREAPNDWYNILRQQAATIAADGFSAIWMPVPWRDFSSWSDGSKSGGGEGYFWHDFNKNGRYGSDAQLRQAASALGGAGVKVLYDVVPNHMNRGYPDKEINLPAGQGFWRNDCADPGNYPNDCDDGDRFIGGDADLNTGHPQVYGMFRDEFTNLRSQYGAGGFRFGFVRGYAPERVNSWMTDSADNSFCVGELWKGPSEYPNWDWRNTASWQQIIKDWSDRAKCPVFDFALKERMQNGSIADWKHGLNGNPDPRWREVAVTFVDNHDTGYSPGQNGGQHHWALQDGLIRQAYA...
1QPK_1_k12
0
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Q7K4Y6
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P05656
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5FKB_2_k12
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236086
Q63707
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Cc1ccc(C(=O)N2CCOCC2)cc1
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7O5F_1_k12
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8117
P22734
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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8T5Q_2_k12
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753
Q5SHZ3
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OCC(O)CO
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5DSL_1_k12
0
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444205
C3LN54
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CC(=O)N[C@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O
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4CDE_2_k12
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8172
P53634
[CH2][Branch1][=Branch1][OH0][CH2][CH2][OH0][H][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCO
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6G26_2_k12
0
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s52
B0ZB57
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OS(O)(O)CC[NH+]1CCOCC1
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8OV4_1_k12
0
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s418
P02722
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NC(=O)C1=CC=CN([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]3O[C@@H](N4CNC5=C(N)NCNC54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C1
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LNFSGLRALVTGAGKGIGRDTVKALHASGAKVVAVTRTNSDLVSLAKECPGIEPVCVDLGDWDATEKALGGIGPVDLLVNNAALVIMQPFLEVTKEAFDRSFSVNLRSVFQVSQMVARDMINRGVPGSIVNVSSMVAHVTFPNLITYSSTKGAMTMLTKAMAMELGPHKIRVNSVNPTVVLTDMGKKVSADPEFARKLKERHPLRKFAEVEDVVNSILFLLSDRSASTSGGGILVDAGYLAS
1CYD_1_k12
1
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s657
P43133
[NH0][Branch2][Ring1][C][CH2][CH0][Branch1][=N][NH0][Branch1][C][H][C@][Branch1][C][CH3][Branch1][C][CH3][CH3][=OH0][CH2][CH0][=CH0][Branch2][Ring2][Branch2][CH1][=CH0][Branch2][Ring1][=C][C@H1][NH0][Branch1][C][H][CH1][Branch1][=N][NH0][Branch1][C][H][C@H1][CH2][CH2][OH0][CH2][CH2][Ring1][=Branch1][NH0][Branch1][C][H]...
CC(C)(C)NC(=O)CN1Cc2ccc([C@H]3NC(NC4CCOCC4)NC=C3Cl)cc2C1=O
GdAdGdPqEdMdVaRpGnQdVgFpDrVdGdPdRqYwTaNdLwSdYfIdGdEaGdApYqGgMgVkCtSwAtYqDgNnVpNvKrVaRiVwAiIkKgKkIgSqPqFlEvHdQlTlYsClQqRlTvLlRqEqIlKvIvLqLvRqFdRdHdEqNaIaIkGhIfNpDaIkIdRaAdPpTdIlEvQrMgKrDiViYmItViQtDhLdMfEpTaDwLqYlKvLcLlKvTpQhHqLdSdNlDvHlIlClYvFlLlYlQsIvLlRlGvLvKvYaIcHvSlAlNqVkLdHqRqDaLdKdPgSrNqLwLtLhNhTpTvCgDrLtKhIgCdDr...
GAGPEMVRGQVFDVGPRYTNLSYIGEGAYGMVCSAYDNVNKVRVAIKKISPFEHQTYCQRTLREIKILLRFRHENIIGINDIIRAPTIEQMKDVYIVQDLMETDLYKLLKTQHLSNDHICYFLYQILRGLKYIHSANVLHRDLKPSNLLLNTTCDLKICDFGLARVADPDHDHTGFLTEYVATRWYRAPEIMLNSKGYTKSIDIWSVGCILAEMLSNRPIFPGKHYLDQLNHILGILGSPSQEDLNCIINLKARNYLLSLPHKNKVPWNRLFPNADSKALDLLDKMLTFNPHKRIEVEQALAHPYLEQYYDPSDEPIAEA...
6G9D_1_k12
1
-9.4
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149445585
P03366
[NH0][Branch1][C][H][CH1][Branch1][C][CH3][CH0][Branch1][Ring1][OH0][H][=CH0][Branch1][Ring1][CH1][=OH0][CH0][Branch1][Ring2][CH2][OH0][H][=CH1][Ring1][#C]
CC1NC=C(CO)C(C=O)=C1O
MdYdAdNdKdVaKaKeIeAeAfVaHeDaLaSeGqMfGaRcVaSgLpTnVqVlIcPlIqLqSvSlMlGrFhQhVyCdPyLqPhTqAwVyLwSpNhHdTqQpYpPpGdFiSdFiLdDgLcTqDvEcMrPvKvIvIlAvEvWcKvKvLvEvVdQaFhDqAeIyYeTyGeYdLhGrSdPlRvQcIlQvIvVvSqDvFsIcKvDvFrRpQdPpDnShLaIyVeAyDaPlVqLaGpDdNpGlRdLgYgTpNpFgDdMlEsMsVlKvEsMsRlHvLsIlTlKsAhDqVeIyTePeNeLqTsEnLlFcYsLnLvDvEhPhYrKdAlDd...
MYANKVKKIAAVHDLSGMGRVSLTVVIPILSSMGFQVCPLPTAVLSNHTQYPGFSFLDLTDEMPKIIAEWKKLEVQFDAIYTGYLGSPRQIQIVSDFIKDFRQPDSLIVADPVLGDNGRLYTNFDMEMVKEMRHLITKADVITPNLTELFYLLDEPYKADSTDEELKEYLRLLSDKGPQVVIITSVPVHDEPHKTSVYAYNRQGNRYWKVTCPYLPAHYPGTGDTFTSVITGSLMQGDSLPMALDRATQFILQGIRATFGYEYDNREGILLEKVLHNLDMPIQMASYELI
3MBH_1_k12
2
-7
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444205
P26313
[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
DdLdPkLdLwCwTdLdNpKlSaHkLiYwIiKdGdGdNpAfSiFkQiIkShFkDdDqIdAcVpLdLdPpQvYpDwVdIwIqQlHdPlAvDsMcSvWqCqSeKpSdDvDrQvIsWvLvSvQvWvFlMcNvAqVlGpHnDdWsHnLpDaPgPtFwLtCwRhNgRhTvKdTdEpGaFtIkFiQkVdNwTlSaKcTdGdVpNcEnNvYvAnKvKsFsKvTvGsMvHvHvLrYdRvErYhPdDpSpChLdNhGpKdLtCmLmMmKmAmQgPtTdSdWdPdLpQvCtPdLd
DLPLLCTLNKSHLYIKGGNASFQISFDDIAVLLPQYDVIIQHPADMSWCSKSDDQIWLSQWFMNAVGHDWHLDPPFLCRNRTKTEGFIFQVNTSKTGVNENYAKKFKTGMHHLYREYPDSCLNGKLCLMKAQPTSWPLQCPL
7QU2_1_k12
0
-4
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318460
Q08638
[CH2][S@@][=Branch1][C][=OH0][=Branch1][C][=OH0][CH2][CH2][NH0][Branch1][=Branch2][CH2][CH0][=CH1][CH1][=CH1][OH0][Ring1][Branch1][CH2][Ring1][=C]
O=S1(=O)CCN(Cc2ccco2)CC1
DdLwRfLwHdLfLfLpNpTqSqVqTfCfNwDqGsSgPtAfGtYkYtLwKdEaSqRvGvSaRqReWaLeLeFeLeEeGdGdWaYaCaFfNdRdEvNvCvDvSvRcYcDvTpMvRvRqLlMgShSdRpDpWpPdRgThRdTaGfTfGfIcLgSaSlQdPcEvEqNfPvYfWpWnNrAhNiMyVmFyIgPrYrCrSqSrDqVlWlSfGfAdSaSgKdSdEpKvNaEnYtAaFrMrGsAvLvIvIvQvEsVrVvRvEvLcLcGvRvGnLnSlGrAhKqVeLyLeLyAeGySfSaAsGsGlTlGnVqLlLfNpVqDvRvVvAqEv...
DLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPR...
7B9U_2_k12
2
-6.6
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753
P03472
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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RDFNNLTKGLCTINSWHIYGKDNAVRIGEDSDVLVTREPYVSCDPDECRFYALSQGTTIRGKHSNGTIHDRSQYRALISWPLSSPPTVYNSRVECIGWSSTSCHDGKTRMSICISGPNNNASAVIWYNRRPVTEINTWARNILRTQESECVCHNGVCPVVFTDGSATGPAETRIYYFKEGKILKWEPLAGTAKHIEECSCYGERAEITCTCRDNWQGSNRPVIRIDPVAMTHTSQYICSPVLTDNPRPNDPTVGKCNDPYPGNNNNGVKGFSYLDGVNTWLGRTISIASRSGYEMLKVPNALTDDKSKPTQGQTIVLNTD...
6HCX_4_k12
0
-3.1
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8182
P97438
[CH2][Branch1][=Branch1][CH2][CH2][CH2][CH2][CH3][CH2][CH2][CH2][CH2][CH2][CH3]
CCCCCCCCCCCC
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SDSAINVMKWKTVSTIFLVVVLYLIIGATVFKALEQPQEISQRTTIVIQREKFLRAHPCVSDQELDELIQQIVAAINAGSHWDLGSSFFFAGTVITTIGFGNISPRTEGGKIFCIIYALLGIPLFGFLLAGVGDQLGTIFGKGIAKVEDTFIKWNVSQTKIRIISTIIFILFGCVLFVALPAVIFKHIEGWSALDAIYFVVITLTTIGFGDYVAGGSDIEYLDFYKPVVWFWILVGLAYFAAVLSMIGDWLRVIAKKTKEAVGEFRAHAAEWTANVSDSAINVMKWKTVSTIFLVVVLYLIIGATVFKALEQPQEISQRT...
6W8F_3_k12
0
-3.4
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5DJL_1_k12
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[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
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7K3Q_2_k12
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14656370
B5Y007
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CCCCCCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
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PLVVAASIIAILHLILWALDRL
6MPM_1_k12
0
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444205
Q5R4K9
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6POL_2_k12
0
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76044
P52732
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N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O
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2WOG_1_k12
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174
P12497
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
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4CGD_3_k12
0
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s987
P0A409
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6PGK_2_k12
2
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8117
Q96T66
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
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867
P0AEX9
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78798
P22557
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OCCOCCOCCOCCOCCOCCOCCOCCO
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1ZZU_3_k12
0
-3
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8117
Q9X248
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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HRRVRLLKHGSDKPLGFYIRDGTSVRVTASGLEKQPGIFISRLVPGGLAESTGLLAVNDEVIEVNGIEVAGKTLDQVTDMMVANSSNLIITVKPANPPEERLI
5I7Z_1_k12
0
-2.8
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168300915
P15090
[CH2][CH2][CH2][C@@H1][Branch1][P][CH2][OH0][CH0][=CH1][CH1][=CH0][Branch1][C][ClH0][CH0][Branch1][C][ClH0][=CH1][Ring1][Branch2][C@@H1][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][CH2][Ring2][Ring1][Ring2]
O=C(O)[C@H]1CCCC[C@H]1COc1ccc(Cl)c(Cl)c1
DdAlFpVaGaTkWwKkLwVdSdSkEdNcFpDlDvYvMcKvElLvGvVqGdFdAvTvRsKvMvGvGvMpAwKtPwNiCwIgIwSdVdNdGvDqVkIiTkIiKwTiEdStTdLpKdNiTdEiIdSiFdIgLaGpQdEwFdDwEdVqTdArDsDgRdKtVwKiSwThIwThLaDdGpGqVkLtVwQiVwQtKdWdDpGnKfSiTkTiIwKiRwKhRdEdDpDqKwLtVwViEwCiVdMgKvGpVdTiCmTiRiViYiEgRhAd
DAFVGTWKLVSSENFDDYMKELGVGFATRKMGGMAKPNCIISVNGDVITIKTESTLKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVQVQKWDGKSTTIKRKREDDKLVVECVMKGVTCTRVYERA
7G15_1_k12
2
-7
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90255
P56421
[CH2][Branch1][=Branch2][OH0][CH2][CH2][OH0][CH2][CH2][OH0][CH3][CH2][OH0][CH2][CH2][OH0][CH2][CH2][OH0][H]
COCCOCCOCCOCCOCCO
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GLECDGKVNICCKKQFFVSFKDIGWNDWIIAPSGYHANYCEGECPSHIAGTSGSSLSFHSTVINHYRMRGHSPFANLKSCCVPTKLRPMSMLYYDDGQNIIKKDIQNMIVEECGCSGLECDGKVNICCKKQFFVSFKDIGWNDWIIAPSGYHANYCEGECPSSFHSTVINHYRMRGHSPFANLKSCCVPTKLRPMSMLYYDDGQNIIKKDIQNMIVEECGCS
2ARV_2_k12
0
-3.8
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8200
P02768
[OH0][Branch1][Branch2][CH2][CH2][OH0][CH2][CH2][OH0][H][CH2][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCOCCO
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7QFE_4_k12
0
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445395
E9QYP0
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2D36_1_k12
1
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88576383
B2RRD7
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CC1C=c2ccccc2=CN1
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5C6S_1_k12
2
-6.9
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s686
P81245
[NH0][Branch1][C][H][CH2][NH0][Branch1][C][H][C@H1][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)NCN[C@@H]32)[C@H](O)[C@@H]1O
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EITRPPGVRAHVGVIGGSGLYDPGIVENPVEVKVSTPYGNPSDFIVVGDVAGVKVAFLPRHGRGHRIPPHAINYRANIWALKALGVKWVISVSAVGSLREDYRPGDFVVPDQFIDMTKNRRHYTFYDGPVTVHVSMADPFCEDLRQRLIDSGRRLGYTVHERGTYVCIEGPRFSTRAESRVWKDVFKADIIGMTLVPEINLACEAQLCYATLAMVTDYDVWADRPVTAEEVERVMISNVERARRMLYDVIPKLAGEPELERCSCCRALDTAAI
9JHV_2_k12
1
-8.3
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174
P04963
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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4GPT_2_k12
0
-2.7
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405202
P0C7J2
[CH2][SH0][SH0][CH2][C@H1][Branch1][Ring1][OH0][H][C@@H1][Ring1][Branch2][OH0][H]
O[C@@H]1CSSC[C@@H]1O
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2PVA_1_k12
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P0DTC1
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2WBJ_2_k12
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Q96T88
[OH0][Branch1][C][H][CH2][CH3]
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4MUG_4_k12
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32838
P05091
[CH0][=Branch1][=Branch1][=N+1][Branch1][C][H][H][Branch1][=Branch1][NH0][Branch1][C][H][H][NH0][Branch1][C][H][H]
NC(N)=[NH2+]
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3N82_2_k12
0
-3
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445184
Q9R1E6
[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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WTNTSGSCKGRCFELQEVGPPDCRCDNLCKSYSSCCHDFDELCLKTARGWECTKDRCGEVRNEENACHCSEDCLSRGDCCTNYQVVCKGESHWVDDDCEEIRVPECPAGFVRPPLIIFSVDGFRASYMKKGSKVMPNIEKLRSCGTHAPYMRPVYPTKTFPNLYTLATGLYPESHGIVGNSMYDPVFDATFHLRGREKFNHRWWGGQPLWITATKQGVRAGTFFWSVSIPHERRILTILQWLSLPDNERPSVYAFYSEQPDFSGHKYGPFGPEMTNPLREIDKTVGQLMDGLKQLKLHRCVNVIFVGDHGMEDVTCDRTE...
3NKP_1_k12
2
-5.2
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444205
P02974
[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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1AY2_2_k12
0
-4.2
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[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
753
V6F235
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
AdNpRdTaLfIeVeTeTeIaLdEdEpPqYaVwMhYaRdKdSdDpKdPdLdYdGwNpDnRrFiEdGhYlClLvDvLvLvKvElLlScNvIqLvGpFhIhYyDtVyKdLyVfPpDlGrKaYlGwAdQaNdDpKvGrEdWmNgGhMpVlKvEcLqIlDvHvRvAgDfLkAyVrAyPqLrTfIdTdYpVvRsEvKvVfIwDpFwSaKdPfFlMdTkLwGfIkSfIkLkYaRfKdGdTdPpIfDaSgAlDlDsLvAlKvQdTdKaIaEaYeGaAeVaRpDrGgSvTvMlTvFcFlKvKpSdKpIdSvTsYsEvKsMnWnAvFrMc...
ANRTLIVTTILEEPYVMYRKSDKPLYGNDRFEGYCLDLLKELSNILGFIYDVKLVPDGKYGAQNDKGEWNGMVKELIDHRADLAVAPLTITYVREKVIDFSKPFMTLGISILYRKGTPIDSADDLAKQTKIEYGAVRDGSTMTFFKKSKISTYEKMWAFMSSRQQTALVRNSDEGIQRVLTTDYALLMESTSIEYVTQRNCNLTQIGGLIDSKGYGVGTPIGSPYRDKITIAILQLQEEGKLHMMKEKWWRGNGCPANRTLIVTTILEEPYVMYRKSDKPLYGNDRFEGYCLDLLKELSNILGFIYDVKLVPDGKYGAQN...
3FVG_1_k12
0
-3.5
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s139
Q2G1N2
[C@H1][Branch1][=Branch2][CH2][CH2][CH0][=Branch1][C][=OH0][OH0][H][Branch2][Ring1][Ring1][NH0][Branch1][C][H][CH2][C@H1][Branch1][=Branch1][NH0][Branch1][C][H][H][CH0][Branch1][C][OH1][=OH0][CH0][=Branch1][C][=OH0][OH1]
N[C@@H](CN[C@H](CCC(=O)O)C(=O)O)C(=O)O
RdEkMaLfYeLaNeRpSvDlIlEvQvAlGpGlNlHaSlQvVlYlVlDvAlLvTlEvAlLlTlAqHvAvHvNvDqFkVaQwPdLfKwPdYwLaRaQvHqIpAqDaRtIwIiAwMtPwSmHwIgGdGdEpHpAtIkStGwIiKwWtIkGgSaKdHpDcNcPcSpKpRpNvMhEaRgAmSwGtVwIiIwLiNaDdPpEvTvNrYdPtIhAyViMyEiAfSpLsIlSqSlMsRnTlAlAsVlSlVvIlAlAcKvHfLaAaKdKpGlFfKaDeLeTeIeIeGdClGgLpIsGsDlKnQnLvQnSrMcLvEvQrFhDvHsIhEaRe...
REMLYLNRSDIEQAGGNHSQVYVDALTEALTAHAHNDFVQPLKPYLRQHIADRIIAMPSHIGGEHAISGIKWIGSKHDNPSKRNMERASGVIILNDPETNYPIAVMEASLISSMRTAAVSVIAAKHLAKKGFKDLTIIGCGLIGDKQLQSMLEQFDHIERVFVYDQFSEACARFVDRWQQQRPEINFIATENAKEAVSNGEVVITCTVTDQPYIEYDWLQKGAFISNISIMDVHKEVFIKADKVVVDDWSQCNLHAELGQLVTGDIPGREDDDEIILLNPMGMAIEDISSAYFIYQQAQQQNIGTTLNLY
4M54_2_k12
2
-5.5
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[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0...
753
P48300
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
MdRkCeLwAeLwDeIaGwGlTfKkIiAwSiAfIiVaTdDpGlKdItEdQpRiQdQiIgAtTqPdQaAvDvAnAqNpAvMvHlDvTvLlAvNvIvLlAvLvYcApGpQrFgDqYeVyAfVyAeSyTaGaIqIqNfHpGqVkLhTaAhLlNqPcKvNsLrGnGrLdAgEiFyPnLrKpEvSsInAvRvHrTdDpKhPyIyGhLyLaNyDqVaQlAlAlAqCqAlEqYpKvDvEdDpKcNvAqVfQqNwFeVkFeIwTeVaSaTqGfVtGwGiGwItIgLhErRnRhLtLdTqEpPdNgGsVpApGtHrIqGqHaTdLaAqDd...
MRCLALDIGGTKIASAIVTDGKIEQRQQIATPQADAANAMHDTLANILALYAGQFDYVAVASTGIINHGVLTALNPKNLGGLAEFPLKESIARHTDKPIGLLNDVQAAACAEYKDEDKNAVQNFVFITVSTGVGGGIILERRLLTEPNGVAGHIGHTLADPNGPVCGCGRVGCVEAVAAGRAIEAVSSQWNPPCTPKQAFELFRKNDEKATALIQRSASAIANLIADLVIGLDVQKVVVGGSVGLAEGYLPLVKQYLNTMPHFYHCTVEQARHGQDAGLLGAAWWVADCLK
6JDA_1_k12
0
-3.9
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446404
P22557
[C@@H1][Branch1][#Branch2][SH0][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]
CCCCCCCCS[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
NdDpEqSqGpIaPaIeAdNdAdKdLpDvDqVlAcDcLcLlGfGqAnLvFvLvPvLlYqKvWvMcNvEvYrGhPqIwYhRwLyAdAdGpPpRdNiFaViIeVgSlDdPlAqIlAlKlHvVlLqRaNpYpPpKlYwApKqGpLpVlAlEvVlSlEcFvLqFlGvScGaFlAlIsAhEdGdPpLvWvTvAvRvRvRvAlVqVlPlSlLpHdRdRlYlLlSlVvIlVlEpRpVqFlClKvClAlEvRlLlVvEvKlLcQpPvYlAqEvDvGfSfAkVdNfMlElAvKsFlSlQqMsTqLlDqVrIlGcLcSqLaFqNvYdNgFp...
NDESGIPIANAKLDDVADLLGGALFLPLYKWMNEYGPIYRLAAGPRNFVIVSDPAIAKHVLRNYPKYAKGLVAEVSEFLFGSGFAIAEGPLWTARRRAVVPSLHRRYLSVIVERVFCKCAERLVEKLQPYAEDGSAVNMEAKFSQMTLDVIGLSLFNYNFDSLTTDSPVIEAVYTALKEAELRSTDLLPYWKIDALCKIVPRQVKAEKAVTLIRETVEDLIAKCKEIVEREGERINDEEYVNDADPSILRFLLASREEVSSVQLRDDLLSMLVAGHETTGSVLTWTLYLLSKNSSALRKAQEEVDRVLEGRNPAFEDIKE...
6L8H_2_k12
2
-6.2
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447333
347222
[NH0][Branch1][C][H][CH1][Branch1][=Branch1][NH0][Branch1][C][H][H][NH0][Branch1][C][H][C@@H1][C@H1][Branch1][O][CH2][CH2][CH2][CH2][CH0][=Branch1][C][=OH0][OH0][H][SH0][CH2][C@H1][Ring2][Ring1][Branch1][Ring1][=N]
NC1N[C@H]2[C@H](CS[C@H]2CCCCC(=O)O)N1
AdEqAvGqIvTaGaTwWkYaNwQqLlGgSkTiFwIgVwThAqGdApDqGfAkLiTwGtTwYiEaSdArVdGdNqAaEhSgRiYfViLkTiGwRgYwDaSdAdPdAdTpDpGqSdGfTiAwLiGkWiTkVtAqWrKdNdNvYpRdNhAqHqSkAmTkTmWwStGfQtYwVgGgGdApEwAiRkItNkTtQkWmLkLmTaShGdTdTdEvAvNcArWvKvSgTiLdViGgHiDiTmFiTtKnVdKhPd
AEAGITGTWYNQLGSTFIVTAGADGALTGTYESAVGNAESRYVLTGRYDSAPATDGSGTALGWTVAWKNNYRNAHSATTWSGQYVGGAEARINTQWLLTSGTTEANAWKSTLVGHDTFTKVKP
2RTL_1_k12
2
-6.5
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174
P0DTC1
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
SdGaFdRdKfMdAaFdPdScGvKlVqElGlCfMwVkQwVkTaCaGpThTdTiLaNiGwLgWaLaDfDqVkVtYkCfPfRlHcVnIlCdTdSpEvDqMqLaNpPhNpYsEvDvLsLvIvRvKdSdNqHvNrFmLwViQgAdGpNpVdQtLwRrVfIdGdHwSdMdQqNaCgVmLiKiLtKgVtDpTdAtNrPpKsThPfKaYeKdFfVdRaIdQdPfGlQaTkFwSkVwLqAfCdYaNsGrShPgSdGdViYgQmCwAtMqRfPpNlFrTwIiKqGdSdFhLdNpGrSrCfGqStVwGtFwNdIaDdYpDrCyViShFtCh...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCS
7B3E_1_k12
0
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177
Q99538
[CH1][=Branch1][C][=OH0][CH3]
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4AW9_2_k12
0
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447053
P00388
[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
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1YKB_2_k12
0
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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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4BYY_1_k12
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s598
P28482
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3VR8_4_k12
2
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446308
G1T7U7
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COCCOCCOCCOc1ccc(C(C)(C)CC(C)(C)C)cc1
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6DXZ_2_k12
1
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s762
P0C0Y7
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2JBP_1_k12
1
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43912643
B7GIU7
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COc1cc(OC)c(CC2C(=O)Nc3ccccc32)c(OC)c1
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1EH4_1_k12
1
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s595
Q96MU7
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5A3Q_2_k12
1
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174
Q9PPB4
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
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4R2K_1_k12
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767
P00807
[CH0][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][OH0][H]
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1GHI_1_k12
0
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122335
P68873
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Cc1cc(C)cc(NC(=O)Cc2ccc(OC(C)(C)C(=O)O)cc2)c1
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VLSPADKTNVKAAWGKVGAHAGEYGAEALERMFLSFPTTKTYFPHFDLSHGSAQVKGHGKKVADALTNAVAHVDDMPNALSALSDLHAHKLRVDPVNFKLLSHCLLVTLAAHLPAEFTPAVHASLDKFLASVSTVLTSKYRVLSPADKTNVKAAWGKVGAHAGEYGAEALERMFLSFPTTKTYFPHFDLSHGSAQVKGHGKKVADALTNAVAHVDDMPNALSALSDLHAHKLRVDPVNFKLLSHCLLVTLAAHLPAEFTPAVHASLDKFLASVSTVLTSKYRVHLTPEEKSAVTALWGKVNVDEVGGEALGRLLVVYPWT...
1G9V_1_k12
1
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s79
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5EPH_1_k12
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5L8J_3_k12
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90655273
P06239
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OS(O)(O)CCN1CCOCC1
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5GSS_1_k12
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75038
P07173
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CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1=C(C)C(=O)c2ccccc2C1=O
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4CAS_5_k12
1
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14665037
Q65900
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O=c1ccc(OC(F)F)c[nH]1
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7H3Z_2_k12
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753
P37351
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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1D6U_3_k12
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679
Q9SQL2
[OH0][=S@][Branch1][C][CH3][CH3]
CS(C)=O
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7LC0_1_k12
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753
Q3YY33
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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1KZI_5_k12
0
-2.3
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174
P55915
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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ADTIVAVELDTYPNTDIGDPSYPHIGIDIKSVRSKKTAKWNMQNGKVGTAHIIYNSVGKRLSAVVSYPNGDSATVSYDVDLDNVLPEWVRVGLSASTGLYKETNTILSWSFTSKLKSTNALHFMFNQFSKDQKDLILQGDATTGTEGNLRLTRVSSNGSPQGSSVGRALFYAPVHIWESSAVVASFEATFTFLIKSPDSHPADGIAFFISNIDSSIPSGSTGRLLGLFPDAN
4PCR_4_k12
0
-2.7
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445184
P11172
[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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AEYRNWSKPQCDITGFAPFSKDNSIRLSAGGDIWVTREPYVSCDPDKCYQFALGQGTTLNNVHSNNTVRGRTPYRTLLMNELGVPFHLGTKQVCIAWSSSSCHDGKAWLHVCITGDDKNATASFIYNGRLVDSVVSWSKEILRTQESECVCINGTCTVVMTDGSASGKADTKILFIEEGKIVHTSTLSGSAQHVEECSCYPRYPGVRCVCRDNWKGSNRPIVDINIKDHSIVSSYVCSGLVGDTPRKNDSSSSSHCLDPNNEEGGHGVKGWAFDDGNDVWMGRTINETSRLGYETFKVIEGWSNPKSKLQINRQVIVDRG...
4GZT_1_k12
0
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1DY5_1_k12
0
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s65
Q9KER1
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4G1C_2_k12
1
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122250
P00490
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1L5V_3_k12
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s501
Q99835
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O[C@H]1C[C@H](O)[C@@H](COP(O)O)O1
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1SSP_2_k12
2
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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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GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPSD
4RTZ_1_k12
0
-2.8
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753
Q46857
[CH2][Branch1][=Branch2][CH1][Branch1][Ring1][OH0][H][CH2][OH0][H][OH0][H]
OCC(O)CO
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1MZR_1_k12
0
-3
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