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
11036532
Q9Y2J2
[CH2][CH2][C@H1][Branch1][Ring1][OH0][H][CH2][CH1][CH2][CH2][C@@H1][C@@H1][Branch1][#Branch1][C@@][Ring1][N][Ring1][=Branch1][CH3][CH2][CH2][C@@][Branch1][C][CH3][C@H1][Ring1][=Branch2][CH2][CH2][C@@H1][Ring1][=Branch1][C@H1][Branch1][C][CH3][CH2][CH2][CH2][C@@H1][Branch1][C][CH3][CH3]
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
IdPvEvEvMvKvQvIvVvEvEvQlGpNaKdLvHvWvAvAvLvLcIvLvMqVfIlIvPcTlIlGvGlNlTvLlVlIlLlAlVqSvLfEpKpKvLnQdYfAfTpNsYvFlLlMnSlLlAsVvAlDlLnLlVcGsLpFqVaMvPvIlAlLsLvTcIvMnFvEvAqMaWrPdLdPdLqVlLvClPlAvWnLqFlLsDnVqLlFsSlTlAlSnIlWvHsLlClAvIvSlVvDvRlYlIvAcIqKvKqPvIaQdAdNgShRnAvTvAsFvIvKvIsTvVvVsWsLvIlSsInGvIlArIvPvVsPnIvKqGgIfEdTaDdVpDvNc...
IPEEMKQIVEEQGNKLHWAALLILMVIIPTIGGNTLVILAVSLEKKLQYATNYFLMSLAVADLLVGLFVMPIALLTIMFEAMWPLPLVLCPAWLFLDVLFSTASIWHLCAISVDRYIAIKKPIQANSRATAFIKITVVWLISIGIAIPVPIKGIETDVDNPNNITCVLTKERFGDFMLFGSLAGFFTPLAIMIVTYFLTIHALQKKAVQTISNEQRASKVLGIVFFLFLLMWCPFFITNITLVLCDSCNQTTLQMLLEIFVWIGYVSSGVNPLVYTLFNKTFRDAFGRYITCNYRADLEDNWETLNDNLKVIEKADNAAQ...
6DRZ_1_k12
2
-5.8
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s725
Q3IWB0
[CH0][Branch1][C][CH3][=CH0][Branch1][Ring1][OH0][H][NH0][Branch1][Ring2][CH2][CH1][=OH0][CH1][Branch1][#Branch2][C@H1][Branch1][C][CH3][NH0][Branch1][C][H][H][NH0][Ring1][S][H]
CC1=C(O)N(CC=O)C([C@H](C)N)N1
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KPAVELDRHIDLDQAHAVASGGARIVLAPPARDRCRASEARLGAVIREARHVYGLTTGFGPLANRLISGENVRTLQANLVHFLASGVGPVLDWTTARAMVLARLVSIAQGASGASEGTIARLIDLLNSELAPAVPSRGTVGDLTPLAHMVLCLQGRGDFLDRDGTRLDGAEGLRRGRLQPLDLSHRDALALVNGTSAMTGIALVNAHACRHLGNWAVALTALLAECLRGRTEAWAAALSDLRPHPGQKDAAARLRARVDGSARVVRHVIAERRLDAGDIGTEPEAGQDAYSLRCAPQVLGAGFDTLAWHDRVLTIELNAV...
2O7F_2_k12
2
-6.1
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644120
Q96PN6
[OH0][=CH0][C@H1][Branch1][=Branch1][CH2][CH2][CH2][CH2][CH3][C@@H1][Branch1][Branch2][CH2][CH0][=Branch1][C][=OH0][OH0][H][CH2][CH2][Ring1][#C]
CCCCC[C@H]1C(=O)CC[C@@H]1CC(=O)O
TdFfDdMqNpRvVlIvDvEvFqDlEvMcTqRlNvAlHvQcVlQqKvQvTlLaKlEvIqLcLvKvNaQvSpAaIpYlLcQvNvCqGpLgNrGhNdAdTpDcPhEvEvAsFqKqSvMrVhPdLfVdTeDqVvEvLcEqPvYvIqKlRcMcVaDaGlDvTvSaPaIhLlTrGgHhPsVaPlAaIwSaLwSfSfGaTeSdQqGlRaPtKaFiIwPgFfThDcEvLvMlEvNvTvLlQsLqFlRsTnAqFlAsFlRvNcRvDvFvPpIaDdDdNpGaKaAaLqQeFlIaFaSdSlKfQfYdIgSaTlGnGrVrPtVhGaTdAqTr...
TFDMNRVIDEFDEMTRNAHQVQKQTLKEILLKNQSAIYLQNCGLNGNATDPEEAFKSMVPLVTDVELEPYIKRMVDGDTSPILTGHPVPAISLSSGTSQGRPKFIPFTDELMENTLQLFRTAFAFRNRDFPIDDNGKALQFIFSSKQYISTGGVPVGTATTNVYRNPNFKAGMKSITSPSCSPDEVIFSPDVHQALYCHLLSGILFRDQVQYVFAVFAHGLVHAFRTFEQVWEEIVTDIKDGVLSNRITVPSVRTAMSKLLTPNPELAETIRTKCMSLSNWYGLIPALFPNAKYVYGIMTGSMEPYVPKLRHYAGDLPLV...
5ECO_2_k12
2
-6.4
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753
P06010
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
AdFdDdKpSqAqKkAdPkVdIkTdIwFqDqHqRqGpCpTpAvHdKdNpApEpYdKdGdAdLdTdNpSdIsDvDsErMiCdViKdViQdStVdKrIdAdVdSdEpAvDnAvAvKvKvLcQvEqFcIvSvYvEpAnKdGdIpDdGdAdYsTpGtRdKdAdDdDpKpSqGqKkAdPkVdIkTdVwFdDqHqRqGpCdQdRpGvGdPdDdRdEpYdKdGdKdKdApNpGdPsDvDnErMiCdVmKdViQdSiAdKrIdAdVdSdApTvTnAvDvSvVvLvQvQvTvIvSvTdLpYdRdKd
AFDKSAKAPVITIFDHRGCTAHKNAEYKGALTNSIDDEMCVKVQSVKIAVSEADAAKKLQEFISYEAKGIDGAYTGRKADDKSGKAPVITVFDHRGCQRGGPDREYKGKKANGPDDEMCVKVQSAKIAVSATTADSVLQQTISTLYRK
7T8S_4_k12
0
-2.7
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753
P33981
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
AdNwEdCwIdSdVfKpGrRwIiYwStIfLpKaQwIdGdSdGdGlSqSkKtVwFtQwVtLaNtEpKvKgQdItYwAiIkKiYkVhNfLqEpEpApDdNpQlTqLvDvSlYvRvNvEfIvAvYcLlNqKpLlQcQvHvSdDvKlIaIwRdLfYpDhYwEdIdTdDnQtYmIiYiMtVtMtEhCdGfNdIfDfLqNvSvWvLlKvKpKdKpSaIdDdPlWvElRlKlSqYaWlKvNsMvLlErAqVlHvTsIvHvQvHvGpIaVdHqSqDqLdKdPrArNqFwLgIhVhDpGsMyLtKhLgIhDtFrGnIsArNdQdMsVpGd...
ANECISVKGRIYSILKQIGSGGSSKVFQVLNEKKQIYAIKYVNLEEADNQTLDSYRNEIAYLNKLQQHSDKIIRLYDYEITDQYIYMVMECGNIDLNSWLKKKKSIDPWERKSYWKNMLEAVHTIHQHGIVHSDLKPANFLIVDGMLKLIDFGIANQMVGTVNYMPPEAIKDMISPKSDVWSLGCILYYMTYGKTPFQQIINQISKLHAIIDPNHEIEFPDIPEKDLQDVLKCCLKRDPKQRISIPELLAHPYVQIQ
3HMO_1_k12
0
-2.7
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s266
P36897
[CH0][=CH0][Branch1][Branch2][CH1][=CH1][CH2][NH0][Ring1][=Branch1][H][NH0][Branch1][C][H][CH0][Branch2][Ring1][#Branch1][CH0][=CH1][CH2][NH0][Branch1][C][H][CH0][Branch1][#Branch2][NH0][Branch1][C][H][CH0][=Branch1][C][=OH0][CH3][=CH1][Ring1][N][=CH0][Ring2][Ring1][#Branch1][C@@H1][NH0][Branch1][C][H][CH1][=CH0][Branc...
COC1=CN[C@@H](c2c(C3=CCNC(NC(C)=O)=C3)[nH]c3c2NCC=C3)C=C1
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GGTIARTIVLQESIGKGRFGEVWRGKWRGEEVAVKIFSSREERSWFREAEIYQTVMLRHENILGFIAADNKDNGTWTQLWLVSDYHEHGSLFDYLNRYTVTVEGMIKLALSTASGLAHLHMEIVGTQGKPAIAHRDLKSKNILVKKNGTCCIADLGLAVRHDSATDTIDIAPNHRVGTKRYMAPEVLDDSINMKHFESFKRADIYAMGLVFWEIARRCSIGGIHEDYQLPYYDLVPSDPSVEEMRKVVCEQKLRPNIPNRWQSCEALRVMAKIMRECWYANGAARLTALRIKKTLSQLSQQEGI
5QIM_2_k12
1
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753
P01857
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
GdLdSdDpGvElWlQvQlVqLvNvVlWvGvKvVcEvAvDpIqAlGvHlGlQlEqVlLvIlRqLlFcTvGvHpPvEvTvLlEvKlFpDpKvFrKpHvLvKpTdEvAvEsMsKvApSdEpDvLsKsKvHvGrTsVvVvLvTvAlLvGsGvIqLsKvKvKvGlHpHqEpAvEsLqKlPvLvAlQvScHcAvTpKpHsKnIdPaIlKvYsLlEvFsIsSlDvAsIsIlHvVsLsHcSvKvHqPpGvDnFcGdApDsAsQvGvAsMsTsKvAsLsEvLsFsRsNvDvIsAvAvKsYcKvEvLvGvFgQgGd
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2V1G_1_k12
0
-2.6
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753
P0DTC2
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
NdLeCwPpFcGcEcVvFvNvApTlRdFaAaSaVqYlAaWkNdRkKdRkItSfNqChVeAyDdYlSvVpLvYvNpSdAdSdFfSpTdFkKdCfYaGpVdSdPsTvKcLqNqDaLdCfFfTqNiVkYmAkDiSkFhVkIdRfGlDlEcVlRvQqIpAdPaGpQhTdGdKqIrAcDfYrNgYaKhLaPhDnDrFfTgGwCmVkItAkWdNfSdNlNvLrDqSaKdVqGqGfNrYfNpYhLkYgRfLrFdRdKdSgNgLdKdPhFgEdRhDdIpSdTqEaIwYaQqAqGdSdTdPdCqNvGrVhEdGdFvNsCtYhFgPgLmQd...
NLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCG
7NX6_1_k12
0
-3.2
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174
Q8N423
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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4CNB_1_k12
0
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2093
P02699
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3PQR_6_k12
1
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72836888
P29476
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4CKR_2_k12
1
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s575
Q13224
[C@@H1][Branch2][Ring2][=Branch2][CH2][OH0][P@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][OH0][P@@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][OH0][CH2][C@@H1][C@@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][OH0][Ring1][O][OH0][C@@H1][Branch2][Ring1][=C][NH0][CH1][NH0][Bran...
NC1=C2NCN([C@@H]3O[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OC[C@H]4O[C@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)C2NCN1
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HMERLLDELTLEGVARYMQSERCRRVICLVGAGISTSAGIPDFRSPSTGLYDNLEKYHLPYPEAIFEISYFKKHPEPFFALAKELYPGQFKPTICHYFMRLLKDKGLLLRCYTQNIDTLERIAGLEQEDLVEAHGTFYTSHCVSASCRHEYPLSWMKEKIFSEVTPKCEDCQSLVKPDIVFFGESLPARFFSCMQSDFLKVDLLLVMGTSLQVQPFASLISKAPLSTPRLLINKEKAGQSDPFLGMIMGLGGGMDFDSKKAYRDVAWLGECDQGCLALAELLGWKKELEDLVRREHASIDAERLLDELTLEGVARYMQSE...
5D7Q_1_k12
1
-11.7
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3776
P00390
[CH3][C@@H1][Branch1][C][CH3][OH0][H]
CC(C)O
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8IMR_2_k12
0
-2
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8117
O18598
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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PTYKLTYFNFAGLGEPIRWMLSYLDVPFEDNRIEREQWPTIKSTTPYGQVPVLEVDGKQVCQSTAIARYLGKKAGLAGSNEWEDLMIDTMIDTFNDFRSSISKWFRDEATKKKLEETLLNETVPFYFNKFNDHIKNNGGYLANGKLSWGDIYFISILEFMTTIWSDIIDKYEHIKALNDKVVNLPKIKAWIEKRPV
5H5L_3_k12
0
-3.1
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s667
B2UQL7
[C@H1][Branch2][Ring1][O][CH2][OH0][P@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][OH0][CH2][C@@H1][Branch1][=Branch1][NH0][Branch1][C][H][H][CH0][=Branch1][C][=OH0][OH0][H][Branch2][Ring1][Ring2][CH2][OH0][CH0][=Branch1][C][=OH0][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3][OH0][CH0][=Branch1][C][=...
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3D9S_1_k12
2
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679
P08235
[OH0][=S@@][Branch1][C][CH3][CH3]
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5QGX_1_k12
0
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753
Q67EQ1
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
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5JN8_2_k12
0
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5288834
P21852
[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
SdYdSfGaPkIfVwVdDwPaVlTpRlIfEaGaHgLwRiIkEiVfEgVdEdNpGqKfVtKaNfAiYwSiSaShTpLdFfRdGcLlEqIvIvLqKfGfRfDfPlRqDcAsQlHvFsTvQlRvTlCdGqVlClThYpTpHsAsLqAfSsTlRlCfVvDlNfAfVqGvVaHfIaPdKqNlAlTlYlIlRsNqLlVlLqGlAlQsYlLlHlDnHlIlVcHlFvYqHvLrHfAcLlDlFaVaDdVlTvAlAlLlKpAdDqPlAqKvAlAqKvVvAlSvSvIlSfPvRdKhTdThAsAvDnLlKvAvVvQnDvKvLvKvTvFqVvEv...
SYSGPIVVDPVTRIEGHLRIEVEVENGKVKNAYSSSTLFRGLEIILKGRDPRDAQHFTQRTCGVCTYTHALASTRCVDNAVGVHIPKNATYIRNLVLGAQYLHDHIVHFYHLHALDFVDVTAALKADPAKAAKVASSISPRKTTAADLKAVQDKLKTFVESGQLGPFTNAYFLGGHPAYYLDPETNLIATAHYLEALRLQVKAARAMAVFGAKNPHTQFTVVGGVTCYDALTPQRIAEFEALWKETKAFVDEVYIPDLLVVAAAYKDWTQYGGTDNFITFGEFPKDEYDLNSRFFKPGVVFKRDFKNIKPFDKMQIEEHV...
5XLE_2_k12
0
-3.5
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176
Q8Y8D7
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
SdTkGfSkAwTkTwTwPqIlDdSqLlDsDqAfYtIwTtPwVkQfIwGaTvPvAtQdTtLfNtLaDtFeDkTlGfSaSwDaLaWeVfFeSaSpElTaTdApSvElVaDdGqQgTdIhYdTyPqSvKpSgTpTfAkKdLfLpSpGpAkTkWfSkIdSaYdGlDvGgSkSiSfSiGaDgVwYiTfDtTwVmSdVgGrGrLqTiVfTgGrQaAiVyEgSyAtKhKyViSdSnSvFvTnEvDsSnTrIhDgGtLyLqGyLnAfFaSqTvLrNaTgViSpPpTdQrQgKgTgFpFlDvNrAcKqAvSvLaDcSaPsVkFwTkAdDq...
STGSATTTPIDSLDDAYITPVQIGTPAQTLNLDFDTGSSDLWVFSSETTASEVDGQTIYTPSKSTTAKLLSGATWSISYGDGSSSSGDVYTDTVSVGGLTVTGQAVESAKKVSSSFTEDSTIDGLLGLAFSTLNTVSPTQQKTFFDNAKASLDSPVFTADLGYHAPGTYNFGFIDTTAYTGSITYTAVSTKQGFWEWTSTGYAVGSGTFKSTSIDGIADTGTTLLYLPATVVSAYWAQVSGAKSSSSVGGYVFPCSATLPSFTFGVGSARIVIPGDYIDFGPISTGSSSCFGGIQSSAGIGINIFGDVALKAAFVVFNGA...
5RBO_3_k12
0
-2.4
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753
P21333
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
GdAlHqKqVkRdAkGdGdPpGlLlEaReAaEaAaGpVdPkArEkFiSaIiWdTpRvErApGdAdGfGdLkAdIkAdVkEaGwPpSfKhAkEdIwSdFwEpSvCgGmViAiYiVhVgQhEdPfGgDkYmEwViSfViKaFtNnEnEhHgIyPpDpSpPgFrViVyPgVyAhSyPd
GAHKVRAGGPGLERAEAGVPAEFSIWTREAGAGGLAIAVEGPSKAEISFESCGVAYVVQEPGDYEVSVKFNEEHIPDSPFVVPVASP
2JF1_1_k12
0
-3
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[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
[0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
[0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
137253364
P42556
[C@@H1][Branch1][S][CH2][C@H1][Branch1][=Branch1][NH0][Branch1][C][H][H][CH0][=Branch1][C][=OH0][OH0][H][Branch1][=Branch2][CH2][CH2][CH0][=Branch1][C][=OH0][OH0][CH3][CH0][Branch1][C][OH1][=OH0]
COC(=O)CC[C@@H](C[C@H](N)C(=O)O)C(=O)O
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4NWC_1_k12
1
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753
P29474
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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6POZ_1_k12
0
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4N20_2_k12
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14389509
A2WPN7
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2GLR_1_k12
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8117
P84751
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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3OKD_1_k12
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1567
P09148
[CH2][Branch1][Ring1][OH0][H][CH2][SH0][H]
OCCS
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TQFNPVDHPHRRYNPLTGQWILVSPHRAKRPWEGAVLPAHDPDCFLCAGNVRVTGDKNPDYTGTYVFTNDFAALMSDTPDAPESHDPLMRCQSARGTSRVICFSPDHSKTLPELSVAALTEIVKTWQEQTAELGKTYPWVQVFENKGAAMGCSNPHPHGQIWANSFLPNEAEREDRLQKEYFAEQKSPMLVDYVQRELADGSRTVVETEHWLAVVPYWAAWPFETLLLPKAHVLRITDLTDAQRSDLALALKKLTSRYDNLFQCSFPYSMGWHGAPFNGEENQHWQLHAHFYPPLLRSATVRKFMVGYEMLAETQRDLTA...
1HXP_1_k12
0
-1.9
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13023332
P0C0Y9
[CH1][=CH1][CH0][=CH0][Branch1][Branch1][CH1][=CH1][Ring1][=Branch1][CH0][=CH0][Branch2][Ring1][C][OH0][CH2][C@H1][Branch1][O][CH2][NH0][Branch1][C][H][C@H1][Branch1][C][CH3][CH3][OH0][H][CH1][=CH1][CH1][=CH0][Ring1][P][NH0][Ring2][Ring1][=Branch1][H]
CC(C)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12
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2RH1_7_k12
1
-10
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s678
P08144
[C@H1][Branch2][Ring1][=Branch1][NH0][Branch1][C][H][C@H1][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][CH2][OH0][C@@H1][Ring1][#Branch2][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][CH2][Ring2][Ring1][N]
C[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1N[C@@H]1C[C@@H](CO)[C@@H](O)[C@H](O)[C@H]1O
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8ORP_3_k12
2
-6.1
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444205
Q04906
[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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6Z6V_1_k12
0
-4.6
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s27
A0A2U7QU15
[P@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][Branch2][Branch1][C][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][Ring2][NH0][CH2][CH0][Branch1][#Branch2][CH0][Branch1][=Branch1][NH0][Branch1][C][H][H][=OH0][=CH1...
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](O)[C@@H]3O)[C@@H](O)[C@H]2O)C1
TdPpApGpFqTdDqYaKaVaAdDdIlTvLlAqAvWvGlRvRvEvLlIvIvAlEcSlElMqPqAlLlMvGvLlRlRvKvYqAlGvQvQlPlLcKaGvAaKeIeLeGeCeIaHqMqTfIsQlTvGlVsLlIvEvTsLnVvAsLsGhAyEaVyRaWySeSyCpNdIqFaSqThQdDrQnAsArAsAnIcAvAvAvGvIhPrVyFyAhWyKhGhEdTdEpEvEsYrEvWvCrIsEvQsTrIqLdKdDpGrQhPgWdDlAhNaMeVyLeDeDeGqGcDpLnTvEvIcLcHlKpKpYvPvQvMsLlElRrIhHlGeIyTeEyEfTd...
TPAGFTDYKVADITLAAWGRRELIIAESEMPALMGLRRKYAGQQPLKGAKILGCIHMTIQTGVLIETLVALGAEVRWSSCNIFSTQDQAAAAIAAAGIPVFAWKGETEEEYEWCIEQTILKDGQPWDANMVLDDGGDLTEILHKKYPQMLERIHGITEETTTGVHRLLDMLKNGTLKVPAINVNDSVTKSKNDNKYGCRHSLNDAIKRGTDHLLSGKQALVIGYGDVGKGSSQSLRQEGMIVKVAEVDPICAMQACMDGFEVVSPYKNGINDGTEASIDAALLGKIDLIVTTTGNVNVCDANMLKALKKRAVVCNIGHFD...
8CFG_1_k12
1
-12.9
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8200
P05311
[OH0][Branch1][Branch2][CH2][CH2][OH0][CH2][CH2][OH0][H][CH2][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCOCCO
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QLLPGARDLNRIDDRQRKEQLQRDIERALTRPPVELNPQSEAAAPARKPDATSGHTVTVHAVDLDFGVEGRLFDPAPLVQDYLNRPLDNEQLFLLVKALSAALYDRGYATSIVTFVPPGVVDGVLKLKVEWGRIKGWLIDGKPLEGTRDRMMVFSAMPGWQDKVLNTFDIDQANYNINNGGKTGNITIVPADEYGYSYLDLQLQRRALPRVSLGMDNSGPGTPENGRYKYNASVTANDLLGLNDTLGLYIGNRYYRDAGHDAERNYDLMYSVPLGRTRLDLQTGYSTYRNLLKYGQYQSAGNSRSFGLKATRLLYRDTRS...
4QL0_6_k12
0
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5NCF_1_k12
1
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311
P00959
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8BRX_1_k12
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1567
P00517
[CH2][Branch1][Ring1][OH0][H][CH2][SH0][H]
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4ZO4_1_k12
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s90
P53396
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6Z2H_2_k12
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155818535
Q9NV35
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C[C@@H]1CN(C(=O)c2ccc3c(ccn3C)c2)CCN1S(=O)(=O)c1ccc2[nH]c(=O)oc2c1
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7B67_1_k12
1
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s478
Q51973
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2YVF_3_k12
1
-11
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6503
Q6P9V9
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NC(CO)(CO)CO
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4B1U_1_k12
0
-2.6
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338
P37821
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O=C(O)c1ccccc1O
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1JGS_1_k12
0
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s326
P69858
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7DC9_1_k12
1
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3776
P24324
[CH3][C@@H1][Branch1][C][CH3][OH0][H]
CC(C)O
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2DRJ_1_k12
0
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185698
Q8DTU0
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OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
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4LEA_1_k12
0
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s197
P49058
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5UZC_1_k12
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8117
P9WHE9
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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8E7F_2_k12
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s601
Q5YS38
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CC1=CC(c2[nH]c3ccc(C4CCNCC4)cc3c2C(C)C)=CC(C)N1
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7RC9_4_k12
1
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76500
Q8IXJ6
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CCCCCCCCC(=O)N(CCO)CCO
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VGSVAALLTVVFYIAAVMATNLYGATFPEWFGDLSKSLYTLFQVMTLESWSMGIVRPVMNVHPNAWVFFIPFIMLTTFTVLNLFIGIIVDAM
4OXS_1_k12
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753
Q9SZU7
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4P84_1_k12
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753
Q0VBL6
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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4LJS_1_k12
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174
P95125
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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TPFIRPDMKAFLEAIAAMAGPTLAEMTLEEARASYVALHGMADRPARELAVIRNLSCPGPAGDIPLRLYDARESREAGPVITFYHGGGFVIGDLDTHHNLCTEIAALMDLPVVAVDYRLAPEHPFPAAIEDCEAATRWVASSPSELGRTASGVIPIGDAAGGNATIVVSQLLGAKPADVPVVLQVPIFPLASDAVGSASLEAFAEGFVLTKASIEFFDTAYKADRADPRGFPILGDHTAAPPTIVATASLDPIRDSGRDYAKALVEAGRDVVYLEMEGVTHSFTNIRAAVPSTQGDLERIIAAMKMMLGTPFIRPDMKAF...
6KF1_4_k12
0
-2.4
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444205
P06010
[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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QANLMRLKSDLFNRSPMYPGPTKDDPLTVTLGFFLQDIVKVDSSTNEVDLVYYERQRWKLNSLMWDPNEYGNITDFRTSAADIWTPDITAASSTRPVQVLSPQIAVVTHDGSVMFSPAQRLSFMCDPTGVDSEEGVTCAVKFESWVYSGFEIDLKTDTDQVDLSSYYASSKYEILSATQTRQVQHYSCCPEPYIDVNLVVKFRERRQANLMRLKSDLFNRSPMYPGPTKDDPLTVTLGFFLQDIVKVDSSTNEVDLVYYERQRWKLNSLMWDPNEYGNITDFRTSAADIWTPDITAASSTRPVQVLSPQIAVVTHDGSVM...
5OAJ_2_k12
0
-4.1
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753
P0C6U8
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
SdGaFdRdKfMdAaFpPdScGvKlVqElGlCqMwVkQwVkTaCqGpTnTdTiLaNiGwLgWaLaDfDqTkVtYkCfPfRlHvVsIqCdTdApEpDfMqLaNdPdNdYsEvDvLsLpIvRpKdSdNqHvSsFmLwViQqArGpNnVdQtLwRrVfIdGhHwSdMdQfNaCrLmLiRiLtKgVtDpTgStNrPpKsThPwKaYeKaFwVdRaIaQdPfGlQaTkFwSkVwLfAfCdYaNnGrShPtSdGdViYgQmCwAtMqRfPpNlHrTwIiKaGdSdFhLdNpGrSrCfGnStVwGtFwNhIaDdYdDrCyVtShFtCh...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDTVYCPRHVICTAEDMLNPNYEDLLIRKSNHSFLVQAGNVQLRVIGHSMQNCLLRLKVDTSNPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNHTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGKFYGPFVDRQTAQAAGTDTTITLNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCAALKELLQNGMNGRTILGSTILEDEFTPFDVVRQCSGVTFQ
2A5I_3_k12
0
-3
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174
P22906
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
RdDlPqDvQvLvYlSvTlLlKvSvIlLlQvQvVlKcSvHdQpSlAqWvPvFqMaEdPwVdKdRcTvEnAdPpGcYlYcEvVpIqRpFdPtMaDgLsKvTvMvSvEvRcLsKvNvRsYvYpVsSaKpKvLvFsMvAvDrLlQvRsVnFlTvNsCqKvEvYpNdPdPcEpSdEsYnYnKvCsAsNvIvLsEvKvFvFsFvSvKsIcKvEvAvGvLsIdDd
RDPDQLYSTLKSILQQVKSHQSAWPFMEPVKRTEAPGYYEVIRFPMDLKTMSERLKNRYYVSKKLFMADLQRVFTNCKEYNPPESEYYKCANILEKFFFSKIKEAGLID
5FE9_2_k12
0
-2.1
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4357
P12830
[NH0][Branch2][Ring1][Ring2][CH0][Branch1][S][NH0][Branch1][C][H][CH0][=CH1][CH1][=CH0][Branch1][C][IH0][CH1][=CH1][Ring1][#Branch1][=OH0][Branch1][C][H][C@@H1][CH2][CH2][CH2][CH2][CH2][Ring1][=Branch1]
O=C(Nc1ccc(I)cc1)NC1CCCCC1
TdLaRaAaAeVeFeDeLvDaGqVqLfAkLpPdAgVlFlGvVlLqGqRvTvEcEvAvLqAvLhPdRgGcLlLlNvDcAlFcQcKpGpGpPcEhGaAlTnTvRcLqMlKqGqEvIdTaLpSvQvWsIqPvLsMsEvEvNsCsRvKvCsScEvTvAvKvVhCdLgPdKpNpFdSgIpKvEvIsFnDvKvAsIlSlAvRmKaIgNpRvPlMsLlQqAlAlLlMvLsRvKvKvGrFhTaTyAeIyLaTyNrTdWgLdDdDpRdApEsRvDvGsLvAvQlLrMcCvEvLsKvMvHrFhDpFyLyIhEgSnCsQvVnGsMhVdKpPp...
TLRAAVFDLDGVLALPAVFGVLGRTEEALALPRGLLNDAFQKGGPEGATTRLMKGEITLSQWIPLMEENCRKCSETAKVCLPKNFSIKEIFDKAISARKINRPMLQAALMLRKKGFTTAILTNTWLDDRAERDGLAQLMCELKMHFDFLIESCQVGMVKPEPQIYKFLLDTLKASPSEVVFLDDIGANLKPARDLGMVTILVQDTDTALKELEKVTGIQLLNTPAPLPTSCNPSDMSHGYVTVKPRVRLHFVELGSGPAVCLCHGFPESWYSWRYQIPALAQAGYRVLAMDMKGYGESSAPPEIEEYCMEVLCKEMVTFL...
1VJ5_2_k12
1
-8.8
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174
P00760
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
PdKdLlLcQvIqLfNvVkRdVkVaGaSdGeEpRaVeVeVeLeSaHeGaFaGlTaDfQqScAlWlSvRlVqLvPvYlLpTrRpDyHyRtVyViLgYtDgLqVcCqAwGlSpVgNdPvDvHpFdDdFlRvRqYpDlNaLcDvAsYsVlDvDsLvLvAvIvLcDvAvLvRvIqPqRaChAaFyVeGyHaShVsSvAlMvIsGvIlLvAnScIlRvRrPvDrLhFhAqKeLyVeLyIaGlAdSfPqRaFlLdNdDdSvDvYrHhGsGpFdEhLpEvEvIlQvQvVlFlDvAvMlGvAvNpYvSlAvWsAlTlGvYvAlPcLqAq...
PKLLQILNVRVVGSGERVVVLSHGFGTDQSAWSRVLPYLTRDHRVVLYDLVCAGSVNPDHFDFRRYDNLDAYVDDLLAILDALRIPRCAFVGHSVSAMIGILASIRRPDLFAKLVLIGASPRFLNDSDYHGGFELEEIQQVFDAMGANYSAWATGYAPLAVGADVPAAVQEFSRTLFNMRPDISLHVCQTVFKTDLRGVLGMVRAPCVVVQTTRDVSVPASVAAYLKAHLGGRTTVEFLQTEGHLPHLSAPSLLAQVLRRALA
3W04_2_k12
0
-3.2
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s164
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4FWQ_2_k12
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3IAM_1_k12
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8200
A0A0H2VAQ6
[OH0][Branch1][Branch2][CH2][CH2][OH0][CH2][CH2][OH0][H][CH2][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCOCCO
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KDQELYFYNWSEYIPSEVLEDFTKETGIKVIYSTYESNESMYAKLKTQGAGYDLVVPSTYFVSKMRKEGMLQEIDHSKLSHFKDLDPNYLNKPFDPGNKFSIPYIWGATGIGINTDMLDKKSLKNWGDLWDAKWAGQLMLMDDAREVFHIALSKLGYSPNTTNPKEIKAAYRELKKLMPNVLVFNSDFPANPYLAGEVSLGMLWNGSAYMARQEGAPIQIIWPEKGTIFWMDSISIPAGAKNIEAAHKMIDFLLRPENAAKIALEIGYPTPVKTAHDLLPKEFANDPSIYPPQSVIDNGEWQDEVGEASVLYDEYFQKLK...
7XJM_2_k12
0
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448009
O33840
[C@][Branch1][=Branch1][NH0][Branch1][C][H][H][Branch1][Branch1][CH2][CH2][OH0][H][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
NC(CCO)(CCO)CCO
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HGTIDYGDVTVTGGISVFDAKFDELYVYDGDDLGAVYAPEETRFRLWAPTASEAFVVLYETEDGMPVKELPMKRDVQGTWTLTVAEDCGGLFYTYRVKVGEQWNEAVDPYAKAVGVNGTKTAILDLRSTNPEGWENDQKPPLASPTDAVIYELHVRDLSIHPQSGIREKGKFLGLTEEGTRGPNGIPTGLDHITGLGVTHVQLLPIYDYSQESVDESRLDEPHYNWGYDPQNYNVPEGSYSTDPHNPAARILELKRLIQKLHARGLRVIMDVVYNHVYDGYLIHFTKLVPGYYLRYKADRTFSDGTFCGNECASERPIMR...
6JFJ_5_k12
0
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753
P0A916
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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EAGEFFMRAGSATVRPTEGGGFSVTNNTQLGLTFTYMATDNIGVELLAATPFRHKIGTRATGDIATVHHLPPTLMAQWYFGDASSKFRPYVGAGINYTTFFDNGFNDHGKEAGLSDLSLKDSWGAAGQVGVDYLINRDWLVNMSVWYMDIDTTANYKLGGAQQHDSVRLDPWVFMFSAGYRFH
2F1T_3_k12
0
-4.3
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90655273
Q58192
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OS(O)(O)CCN1CCOCC1
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5O9J_3_k12
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525
O14514
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174
O95696
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
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5POF_2_k12
0
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8117
A0A224AKZ9
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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GSMSLLFSPYQLGSLSLANRLVIAPMCQYSAVDGIAQDWHLMHLGRLAISGAGLVIVEATGVNPEGRITPFCLGLYNDEQEAALGRIVAFAREFGQAKMAIQLAHAGRKASTRRPWDPGSPYSPEEGGWQTWAPSAIKFYEESLTPHPMSIEDLETVKQDFVNSAIRAERAGFKAIELHGAHGYLIHQFLSPLSNQRQDQYGGSLENRMRYPLEILSAVKHALSAEMVVGMRISAVDWAPGGLTIEESITFSQECEKRGAGFIHVSTGGLVAHQQIPVGPGYQVEHAQAIKQNVNIPTMAVGLITHSAQAETILKSEQAD...
8PUN_5_k12
0
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s518
P43813
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4UCS_1_k12
1
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439744
P05097
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6TYK_2_k12
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s134
Q51973
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4UVI_1_k12
1
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5288834
P55245
[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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1UMG_1_k12
0
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7D34_1_k12
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447053
Q92974
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6C6C_2_k12
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445318
P20292
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6VGC_2_k12
0
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753
P53667
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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3S95_1_k12
0
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s224
O60885
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O=C1CN(C(=O)C2=CC(c3ccccc3)=CNC2)c2ccccc2N1
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4YH4_1_k12
1
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5288834
548529
[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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SKLLLLLIILSEALHLAILLLIKWSKLLLLLIILSEALHLAILLLIKW
6C4X_1_k12
0
-3
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679
P0C0Y9
[OH0][=S@][Branch1][C][CH3][CH3]
CS(C)=O
SdGaFdRdKqMdAaFaPdScGvKlVqElGlCqMwVkQwVkTaCaGpTpTaTiLaNiGwLgWaLaDfDqVkVtYkCfPfRlHcVsIlCdTdSpEvDqMfLqNpPhNpYsEvDvLsLcIvRvKdSdNqHvNrFiLwViQqAqGpNnVdQtLwRrVfIdGdHwSdMdQqNaCgVmLiKiLtKgVtDpTgAtNrPpKsThPfKaYeKeFfVdRaIdQdPaGlQaTkFwSkVwLqAfCdYaNnGrSgPtSdGdViYgQmCwAgMqRwPnNlFrTwItKqGdSdFhLdNpGrSrCfGqStVwGtFwNdIdDdYdDrCyViSyFtCh...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTF
7B2J_1_k12
0
-2
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s141
P15207
[NH0][Branch1][N][C@@H1][CH2][CH2][NH0][Branch1][C][H][CH0][Ring1][=Branch1][=OH0][CH2][CH0][=CH0][Branch2][Ring2][Ring2][C@H1][Branch2][Ring1][N][CH0][=Branch1][C][=OH0][NH0][Branch1][C][H][CH0][=CH0][CH0][=Branch1][=Branch2][=CH1][NH0][Branch1][C][H][CH2][Ring1][#Branch1][CH1][=CH1][CH1][=CH1][Ring1][#Branch2][CH2][R...
O=C1NCC[C@H]1N1Cc2ccc(Cl)cc2[C@H](C(=O)NC2=c3ccccc3=CNC2)C1
SdGaFdRdKqMdAaFdPdScGvKlVqElGlCqMwVkQwVkTaCaGpTpTdTiLaNiGwLgWaLaDfDqVkVtYkCfPfRlHcVnIlCpTdSlEvDcMqLaNpPhNpYsEvDvLsLvIvRpKdSdNqHvNrFiLwViQgAdGpNnVdQtLwRgVfIdGdHwSdMdQqNaCrVmLiKiLtKgVtDpTgAtNrPpKsThPfKaYeKdFfVdRaIdQdPfGlQdTkFwSkVwLqAfCdYaNnGsSgPtSdGdViYgQiCwAtMqRfPnNlFrTwIiKqGdSdFhLdNpGrSrCfGqStVwGtFwNdIcDdYdDrCyVtSyFtCh...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFSGFRKMAFPSGKVEG...
7GMO_2_k12
1
-8.2
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679
P0DTC1
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
SdGaFdRdKqMdAaFdPdScGpKlVqElGlCqMwVkQwVkTaCaGdThTaTiLaNiGwLgWaLaDfDqVkVtYkCfPfRlHcVnIlCdTdSpEvDcMlLqNpPdNdYsEvDvLsLcIvRvKdSdNqHvNrFiLwViQgAqGpNhVdQtLwRrVfIpGdHwSdMdQqNaCgVmLiKiLtKgVtDpTgAtNrPpKsThPfKaYeKaFfVdRaIdQdPfGlQaTkFwSkVwLqAfCdYaNnGrSgPtSdGdViYgQiCwAtMqRfPpNlFrTwIiKqGdSdFhLdNrGrSrCfGqStVwGtFwNdIdDdYpDgCyViShFtCh...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVT
7GFD_1_k12
0
-2
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s86
O66490
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NC1=C2NCN([C@@H]3O[C@@H](CO[P@@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)C2NCN1
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MILVFLGPPGAGKGTQAKRLAKEKGFVHISTGDILREAVQKGTPLGKKAKEYMERGELVPDDLIIALIEEVFPKHGNVIFDGFPRTVKQAEALDEMLEKKGLKVDHVLLFEVPDEVVIERLSGRRINPETGEVYHVKYNPPPPGVKVIQREDDKPEVIKKRLEVYREQTAPLIEYYKKKGILRIIDASKPVEEVYRQVLEVIG
4JLD_1_k12
1
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7048808
P0DTH5
[C@@H1][Branch1][Ring2][CH2][OH0][H][OH0][C@@H1][Branch2][Ring1][Branch1][NH0][CH0][=Branch1][C][=OH0][NH0][Branch1][C][H][CH0][=Branch1][C][=OH0][CH0][Branch1][C][CH3][=CH1][Ring1][#Branch2][CH2][C@@H1][Ring2][Ring1][C][OH0][H]
Cc1cn([C@H]2C[C@H](O)[C@H](CO)O2)c(=O)[nH]c1=O
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MPTLLRVYIDGPHGMGKTTTTQLLVALGSRDDIVYVPEPMTYWRVLGASETIANIYTTQHRLDQGEISAGDAAVVMTSAQITMGMPYAVTDAVLAPHIGGEAGSPPPALTLIFDRHPIAALLCYPAARYLMGSMTPQAVLAFVALIPPTLPGTNIVLGALPEDRHIDRLAKRQRPGERLDLAMLAAIRRVYGLLANTVRYLQCGGSWREDWGQLSGPRPHIGDTLFTLFRAPELLAPNGDLYNVFAWALDVLAKRLRSMHVFILDYDQSPAGCRDALLQLTSGMVQTHVTTPGSIPTICDLARTFAREMGEAN
2VTK_2_k12
1
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174
P95778
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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AMIVKEVYETAEKIKSMEIRGAGRIARAAAQALMIQAEKSKAKEPEELWNELKVASKILYNTRPTAVSLPNALRYVMHRVKAAYLGGADLETLRFTAINSAKEFIYNSEKAIERIGEIGAKRIEDGDIIMTHCHSKAAISVMKKAFEQGKNIKVIVTETRPKWQGKITAKELASYGIPVIYIVDSAARHYMKMTDKVVMGANSITANGAVINKIGTSLIALTAKEHRVWVMIAAETYKFHPATMLGQLVEIEMRDPTEVIPEEELRTWPKNIEVWNPAFDVTPPEYIDVIITERGIIPPYAAIDILKEEFGWALKYKEPW...
5YFT_4_k12
0
-2.4
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P33981
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5UB9_1_k12
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s728
Q02567
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2O2R_1_k12
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24139
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8R3C_1_k12
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444205
O34925
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5O47_2_k12
0
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6503
976935
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7WT3_2_k12
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679
P18946
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
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7LFE_1_k12
0
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79025
P60175
[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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7WJB_3_k12
2
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657096
Q8ZKF6
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P03367
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5PRH_1_k12
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127L_1_k12
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s1134
O85465
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4TKB_2_k12
2
-6.1
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174
Q86U86
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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5HRX_2_k12
0
-1.9
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679
P02766
[OH0][=S@][Branch1][C][CH3][CH3]
CS(C)=O
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7H8V_1_k12
0
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s568
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