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
s247
Q8CI59
[NH0][Branch1][C][H][C@@H1][Branch1][=Branch1][C@H1][Branch1][C][CH3][CH3][CH0][=CH0][Branch2][Ring1][Ring1][NH0][Branch1][C][H][CH1][=CH0][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][NH0][Ring1][O][H][NH0][Branch1][C][H][CH1][Ring2][Ring1][Branch1][NH0][Branch1][C][H][H]
CC(C)[C@@H]1NC(N)NC2=C1NC(C(=O)O)=CN2
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YERLDLDVTSQTTGEEYFRFITLLRDYVSSGSFSNEIPLLRQSGGGVEAARFVLVELTNEGGDSITAAIDVTNLYVVAYQAGSQSYFLSGPGTHLFTGTTRSSLPFNGSYPDLEQYAGHRKQIPLGIDQLIQSVTALRFPGNTRTQARSILILIQMISEAARFNPILWRARQYINSGASFLPDVYMLELETSWGQQSTQVQQSTEGVFNNPIRLAIPGNFVTLTNVRDVIASLAIMLFVC
1TFM_4_k12
2
-7
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2334
Q9Z0Y8
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PGIAWIALLLLVIFYVFAVMGTKLFAQSFPEWFGTLGASMYTLFQVMTLESWSMGIARPVIEAYPWAWIYFVSFILVSSFTVLNLFIGIIIESMQSAHHAEDGERTDAYRDEV
7PGB_10_k12
0
-2.5
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90655273
P9WFK7
[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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7JRW_3_k12
2
-5.2
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735785
P27487
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Nc1cc(C(F)(F)F)cc(Br)c1N
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5AOL_1_k12
2
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8172
Q8I566
[CH2][Branch1][=Branch1][OH0][CH2][CH2][OH0][H][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCO
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ITARTAPAGGEVRHLKMYAEKLADGQMGYGFEKGKASVPGPLIEVNEGDTLHIEFTNTMDVRASLHVHGLDYEISSDGTAMNKSDVEPGGTRTYTWRTHKPGRRDDGTWRPGSAGYWHYHDHVVGTEHGTGGIRNGLYGPVIVRRKGDVLPDATHTIVFNDMTINNRKPHTGPDFEATVGDRVEIVMITHGEFYHTFHMHGHRWADNRTGILTGPDDPSRVIDNKITGPADSFGFQIIAGEGVGAGAWMYHCHVQFHSDMGMVGLFLVKKPDGTIPGYITARTAPAGGEVRHLKMYAEKLADGQMGYGFEKGKASVPGPL...
8U8S_4_k12
0
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174
O34919
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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3V4T_1_k12
0
-3
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445184
P04963
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OC[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O
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2CJ2_3_k12
0
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s1073
P83793
[CH1][=CH0][Branch1][Ring1][OH0][CH3][CH0][=CH0][Branch1][O][CH0][Branch1][Ring1][OH0][H][=CH0][Ring1][#Branch2][OH0][CH3][OH0][CH0][Branch1][=C][CH1][=CH1][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3][=CH0][Branch1][C][CH3][CH0][Ring2][Ring1][#Branch2][=OH0]
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1VF5_4_k12
2
-6.5
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s531
P27302
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MFKDKVLLITGGTGSFGNAVLKRFLETDIKEIRIFSRDEKKQDDMRKKYHSAKLKFYIGDVRDYNSILNATRGVDYIYHAAALKQVPSCEFHPMEAVKTNVLGTENVLEAAIQNHVKRVVCLSTDKAVYPINAMGISKAMMEKVMVAKSRNLEGLDTVICGTRYGNVMASRGSVIPLFVDQIRQGKPLTITDPNMTRFMMTLEDAVDLVLYAFEHGENGDIFVQKAPAATIAVLAEALKQLLNVEDHPISIMGTRHGEKAFEALLSREEMVHAFDQGDYFRVPADQDYNSHNTTRLDVEGMKQLLLKLDFVRALTMFKDK...
4J2O_1_k12
1
-11.5
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444205
Q6PJP8
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CC(=O)N[C@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O
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4MB5_1_k12
0
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174
Q76LV2
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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4Z4S_2_k12
0
-2.4
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8200
P54635
[OH0][Branch1][Branch2][CH2][CH2][OH0][CH2][CH2][OH0][H][CH2][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCOCCO
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1W2U_2_k12
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Q5QT17
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4WHQ_3_k12
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Q94734
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6XU0_3_k12
0
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5997
P00338
[CH2][CH2][C@H1][Branch1][Ring1][OH0][H][CH2][CH0][=CH1][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]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
SdFfKfCqApLdTdKdTpGpFpQlFlYvYqLqPlAvVlYlIvLvVcFlIvIlGlFlLvGlNlSvVvAlIlWcMlFcVpFpHqMaKpPpWaSfGlIlSsVlYlMlFnNqLlAsLvAlDlFnLvYlVsLvTlLsPvAqLvIsFvYcYsFvNvKvTnDfWrIpFpGfDfAqMsClKlLvQnRlFlIsFlHqVlNnLlYlGsSnIlLvFsLlTlCsIlSlAvHvRlYlScGcVlVvYpPnKpSdLcGgRvLvKsKnKvNvAsInCvIvSnVvLvVsWsLvIvVsVcVvAlIsSvPcIsLsFvYfSwGtTwGdVqRdKpNvKrTg...
SFKCALTKTGFQFYYLPAVYILVFIIGFLGNSVAIWMFVFHMKPWSGISVYMFNLALADFLYVLTLPALIFYYFNKTDWIFGDAMCKLQRFIFHVNLYGSILFLTCISAHRYSGVVYPKSLGRLKKKNAICISVLVWLIVVVAISPILFYSGTGVRKNKTITCYDTTSDEYLRSYFIYSMCTTVAMFCVPLVLILGCYGLIVRALIYKPLRRKSIYLVIIVLTVFAVSYIPFHVMKTMNLRARLDFQTPAMCAFNDRVYATYQVTRGLASLNSCVNPILYFLAGDTFRRRMKKYTCTVCGYIYNPEDGDPDNGVNPGTDF...
4XNV_5_k12
2
-6.7
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s681
P46925
[CH3][CH0][=CH1][NH0][Branch1][C][H][CH1][=CH0][CH1][=CH1][CH1][=CH0][Branch2][Ring1][#Branch1][S@@][=Branch1][C][=OH0][=Branch1][C][=OH0][NH0][C@@H1][Branch1][C][CH3][CH2][NH0][Branch1][C][H][CH2][CH2][CH2][Ring1][=Branch2][CH1][Ring2][Ring1][#Branch1][Ring2][Ring1][C]
CC1=CNC=C2C=CC=C(S(=O)(=O)N3CCCNC[C@@H]3C)C12
KdKdGdSpEvQnEvSvVvKvEvFvLlAvKvAqKlEvDqFlLvKvKcWlEvNpPpAdQeNdTpAdHdLdDvQqFkEdRwIdKaTwLfGaTaGdSqFqGgRtVwMtLwViKaHrMnEvTpGrNaHiYwAiMkKdIkLgDfKvQvKsVcVvKvLvKvQlIlEvHlTvLvNqEqKrRsInLqQqArVhNdFaPpFqLaVwKhLfEdFhSwFyKdDaNqStNiLtYmMtViMtEhYdVaPaGqGaEfMqFvSvHvLlRlRvIvGlRaFdSaElPvHqAlRlFlYqAlAlQvIvVlLvTvFlEvYnLqHvSsLnDqLkIaYqRaDe...
KKGSEQESVKEFLAKAKEDFLKKWENPAQNTAHLDQFERIKTLGTGSFGRVMLVKHMETGNHYAMKILDKQKVVKLKQIEHTLNEKRILQAVNFPFLVKLEFSFKDNSNLYMVMEYVPGGEMFSHLRRIGRFSEPHARFYAAQIVLTFEYLHSLDLIYRDLKPENLLIDQQGYIQVTDFGFAKRVKGRTWTLCGTPEYLAPEIILSKGYNKAVDWWALGVLIYEMAAGYPPFFADQPIQIYEKIVSGKVRFPSHFSSDLKDLLRNLLQVDLTKRFGNLKNGVNDIKNHKWFATTDWIAIYQRKVEAPFIPKFKGPGDTSN...
1Q8U_1_k12
2
-5
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[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0...
679
P36217
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
SdGaFdRdKqMdAaFpPdScGvKlVqElGlCqMwVkQwVkTaCaGdThTaTiLaNiGwLgWaLaDfDqVkVtYkCfPfRlHcVsIlCdTdSvEvDcMqLqNpPhNpYsEvDvLsLcIvRpKdSdNqHvNrFiLwViQqAqGpNnVdQtLwRrVfIdGdHwSdMdQqNaCgVmLiKiLtKgVtDpTgAtNrPpKsThPfKaYeKaFfVdRaIdQdPaGlQaTkFwSkVwLqAfCdYaNnGrSgPtSdGdViYgQiCwAtMqRfPnNlFrTwIiKqGdSdFhLdNrGrSrCfGqStVwGtFwNdIdDdYpDgCyViSyFtCh...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVT
7GD1_1_k12
0
-2.1
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6503
T1WGN1
[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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4Q2B_2_k12
0
-3.7
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1102
P06010
[NH0][Branch1][C][H][Branch1][#Branch2][CH2][CH2][CH2][CH2][NH0][Branch1][C][H][H][CH2][CH2][CH2][NH0][Branch1][C][H][H]
NCCCCNCCCN
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6IKM_1_k12
2
-6.2
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174
P08669
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
DdCvHlLlSvDlMlLlQvQlLlHvSlVlNlAvSlKvPqSqEpRdGpLaVfRdQqEvEvAqEfDdPpAlCpIfPaIqFkWdVwSfKdWwVdDaYpSqDvKpYfGfLiGkYtQaLiClDqNrSkViGkVtLcFtNnDqSrTkRiLwIiLqYdNpDvGrDfSwLiQwYiIaEdRnDvGgTdEiSdYiLgTtVpSpSpHpPdNpSvLcMvKvKvIvTvLvLnKvYvFrRsNvYvMcSvEpHdLpLgKtAqGlAnNvIdTdPgRhEdGdDdEpLpAdRdLdPwYdLfRpTdWwFdRdTdRvSfAwIiIwLtHaLiSpNqGsSwVi...
DCHLSDMLQQLHSVNASKPSERGLVRQEEAEDPACIPIFWVSKWVDYSDKYGLGYQLCDNSVGVLFNDSTRLILYNDGDSLQYIERDGTESYLTVSSHPNSLMKKITLLKYFRNYMSEHLLKAGANITPREGDELARLPYLRTWFRTRSAIILHLSNGSVQINFFQDHTKLILCPLMAAVTYIDEKRDFRTYRLSLLEEYGCCKELASRLRYARTMVDKLLSSR
3HIK_1_k12
0
-2.4
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174
P42212
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
KdGfEcEvLlFqTaGdVkVfPkIeLwIeEwLeDfGeDaVaNaGrHdKtFwFiVkRiGkEiGfEiGaDhAlTcIqGlKkLtSwLmKkFmIfAtTpTvGfKdLdPlVwPdWpPvTvLcVvTvTvLgVaQcAlFsSaRhYePdDpHvMfKpRlHaDrFfFqKrSfAlMpPqEqGgYkVkQkEwRkTwIkYdFwKpDvDfGkTiYkKtTkRiAwEtVwKhFdHdGpDrHyLtVyNiRyImEyLiKyGiIdDgFgKdEcDvGdNcIiLsGvHvKfLfEdYqNwFfNdSkHwKkVwYkIwTaAfDdKvQvNqNrGwIiKkAtNwFt...
KGEELFTGVVPILIELDGDVNGHKFFVRGEGEGDATIGKLSLKFIATTGKLPVPWPTLVTTLVQAFSRYPDHMKRHDFFKSAMPEGYVQERTIYFKDDGTYKTRAEVKFHGDHLVNRIELKGIDFKEDGNILGHKLEYNFNSHKVYITADKQNNGIKANFTIRHNVEDGSVQLADHYQQNTPIGDVDLPDDHYLSTQTILSKDLNEKRDHMVLLEYVTAAGIGEELFTGVVPILIELDGDVNGHKFFVRGEGEGDATIGKLSLKFIATTGKLPVPWPTLVTTLVQAFSRYPDHMKRHDFFKSAMPEGYVQERTIYFKDDG...
4W6U_3_k12
0
-3.1
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s490
P42556
[CH1][Branch1][=Branch1][NH0][Branch1][C][H][H][NH0][Branch1][C][H][CH1][Branch1][=Branch1][NH0][Branch1][C][H][H][NH0][Branch1][C][H][CH1][Branch1][#Branch2][NH0][Branch1][C][H][C@@H1][CH2][CH2][Ring1][Ring1][NH0][Ring2][Ring1][Ring1][H]
NC1NC(N)NC(NC2CC2)N1
EdAfPaAeAeVeVfTaGqAcAlKdRfIlGnRvAlIlAvVvKvLsHlQvTvGgYyRqVyVeIyHeYhHeNpSnApEvAsAqVvSvLvAqDvEvLsNcKvEvRpSnNlTrAyVhVyCdQyAdDdLqTfNdSdNvVcLnPlAvSsClElEvIsIvNvSvCrFcRvArFpGvRhCyDaVeLyVeNlNdAdSaAdFfYdPfTaPaLpVpQdGvKdTdVvEsTrQvVlArErLhIqGrTsNlAaIvAsPvFlLsLnTvMvSsFnAqQvRpQdSvSgNqLhSeIyVeNyLeCaDaAlMcVlDvQpPdCdMpArFrSvLsYnNsMvGs...
EAPAAVVTGAAKRIGRAIAVKLHQTGYRVVIHYHNSAEAAVSLADELNKERSNTAVVCQADLTNSNVLPASCEEIINSCFRAFGRCDVLVNNASAFYPTPLVQGKTVETQVAELIGTNAIAPFLLTMSFAQRQSSNLSIVNLCDAMVDQPCMAFSLYNMGKHALVGLTQSAALELAPYGIRVNGVAPGVSLLPVAMGEEEKDKWRRKVPLGRREASAEQIADAVIFLVSGSAQYITGSIIKVDGGLSLVHA
3BMN_4_k12
2
-5.4
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14257
P35270
[CH2][Branch1][=Branch1][CH2][CH2][CH2][CH2][CH3][CH2][CH2][CH2][CH2][CH3]
CCCCCCCCCCC
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3RHW_2_k12
0
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225936
P01909
[CH3][C@@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][C][CH3][OH0][H]
C[C@@H](O)[C@@H](C)O
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7B7T_2_k12
0
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6613
P0C0Y9
[NH0][Branch2][Ring1][Ring2][CH0][=Branch1][C][=OH0][C@H1][Branch1][Ring1][OH0][H][C@][Branch1][C][CH3][Branch1][C][CH3][CH2][OH0][H][Branch1][C][H][CH2][CH2][CH0][=Branch1][C][=OH0][OH0][H]
CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O
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3BEX_1_k12
2
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304832
P24941
[CH1][=CH0][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][CH0][=CH0][Branch1][Branch1][CH1][=CH1][Ring1][#Branch2][OH0][CH2][OH0][Ring1][#Branch1]
O=C(O)c1cccc2c1OCO2
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4AHT_3_k12
2
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s759
P47229
[CH1][Branch2][Ring2][=Branch1][NH0][Branch1][C][H][CH0][=CH1][CH0][Branch2][Ring1][Ring2][NH0][Branch1][C][H][S@][=Branch1][C][=OH0][=Branch1][C][=OH0][C@@][Branch1][C][CH3][Branch1][C][CH3][CH3][=CH0][Branch1][C][ClH0][CH1][=CH1][Ring1][S][CH0][Branch1][C][CH3][=CH1][NH0][Branch1][C][H][CH1][Branch2][Ring1][#Branch2]...
CC1=CNC(Nc2ccc(N3CCN(C)CC3)cc2)NC1Nc1ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c1
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5F60_3_k12
1
-8.8
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s901
Q3YY33
[CH0][Branch2][Ring1][Branch2][OH0][CH2][CH2][CH2][SH0][CH0][=CH1][CH1][=CH0][Branch1][Branch2][CH2][CH0][=Branch1][C][=OH0][OH0][H][CH1][=CH0][Ring1][O][ClH0][=CH0][Branch1][Ring2][CH2][CH2][CH3][CH1][CH0][=Branch2][Ring1][Ring1][=CH0][Branch1][=Branch2][C@][Branch1][C][FH0][Branch1][C][FH0][FH0][NH0][Branch1][C][H][O...
CCCC1=C(OCCCSc2ccc(CC(=O)O)cc2Cl)C=CC2=C(C(F)(F)F)NOC21
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3IPS_1_k12
1
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s1128
Q33862
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NC(=O)C1NCN([C@@H]2O[C@@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)N1
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AKYYNEPCHTFNEYLLIPGLSTVDCIPSNVNLSTPLVKFQKGQQSEINLKIPLVSAIMQSVSGEKMAIALAREGGISFIFGSQSIESQAAMVHAVKNFKAGFVVSDVCHNELVDSQKRYLVGAGINTRDFRERVPALVEAGADVLCIDSSDGFSEWQKITIGWIREKYGDKVKVGAGNIVDGEGFRYLADAGADFIKIGIGGGSICITREQKGIGRGQATAVIDVVAERNKYFEETGIYIPVCSDGGIVYDYHMTLALAMGADFIMLGRYFARFEESPTRKVTINGSVMKEYWGEGSSRARNWEGVDSYVPYAGKLKDNV...
1ME7_1_k12
1
-8.1
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s115
P62594
[NH0][Branch1][C][H][Branch2][Ring1][=Branch1][CH2][CH1][Branch1][N][CH1][NH0][Branch1][C][H][NH0][=NH0][NH0][Ring1][=Branch1][H][CH2][NH0][Branch1][C][H][H][CH0][=CH1][CH1][=CH0][Branch1][=N][NH0][Branch1][C][H][CH0][=CH1][CH1][=CH1][CH1][=CH1][Ring1][=Branch1][CH1][=CH1][Ring1][=C]
NCC(CNc1ccc(Nc2ccccc2)cc1)C1NN=NN1
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HPETLVKVKDAEDQLGARVGYIELDLNSGKILESFRPEERFPMMSTFKVLLCGAVLSRVDAGQEQLGRRIHYSQRDLVEYSPVTEKHLTDGMTVRELCSAAITMSDNTAANLLLTTIGGPKELTAFLHNMGDHVTRLDRWEPELNEAIPNDERDTTMPAAMATTLRKLLTGELLTLASRQQLIDWMEADKVAGPLLRSALPAGWFIADKSGAGERGSRGIIAALGPDGKPSRIVVIYTTGSQATMDERNRQIAEIGASLIKHW
1PZP_1_k12
1
-7.6
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753
P9WPG7
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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5FW5_1_k12
0
-2.9
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s244
P00390
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Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@H]1O[C@@H](N3CNC4=C(N)NCNC43)[C@H](O)[C@@H]1O)c1[nH]c(=O)[nH]c(=O)c1N2
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VASYDYLVIGGGSGGLASARRAAELGARAAVVESHKLGGTCVNVGCVPKKVMWNTAVHSEFMHDHADYGFPSCEGKFNWRVIKEKRDAYVSRLNAIYQNNLTKSHIEIIRGHAAFTSDPKPTIEVSGKKYTAPHILIATGGMPSTPHESQIPGASLGITSDGFFQLEELPGRSVIVGAGYIAVEMAGILSALGSKTSLMIRHDKVLRSFDSMISTNCTEELENAGVEVLKFSQVKEVKKTLSGLEVSMVTAVPGRLPVMTMIPDVDCLLWAIGRVPNTKDLSLNKLGIQTDDKGHIIVDEFQNTNVKGIYAVGDVCGKAL...
2GH5_3_k12
1
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71296046
Q9NQR1
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C[C@H](NC(=O)CN1CCc2cccc3c2[C@@H]1CN[C@@H]3O)C(=O)N1CCC(c2ccc(F)cc2)CC1
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4HHZ_1_k12
1
-11.4
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164838
P18946
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6ITQ_1_k12
1
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8761
P00918
[NH0][Branch1][Branch2][CH2][CH0][=Branch1][C][=OH0][OH0][H][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
O=C(O)CN(CCO)CCO
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6QL1_1_k12
0
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163003896
Q9BY41
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5ICK_1_k12
1
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s715
P21836
[NH0][Branch1][S][S@][=Branch1][C][=OH0][=Branch1][C][=OH0][C@][Branch1][C][CH3][CH2][CH2][Ring1][Ring2][CH2][CH2][CH2][CH1][Branch1][C][FH0][CH2][Ring1][=C]
CC1(S(=O)(=O)N2CCCC(F)C2)CC1
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DEGMWLMQQLGRKYAQMKERGLKMKEYDLYNPNGTSLKDAVVLFDGGCTGEVVSDRGLVLTNHHCGYDMIQAHSTLEHNYLENGFWAMREADELPNKDISVVFIDKIEDVTDYVKKELKAIKDPNSMDYLSPKYLQKLADKKAGKNFSAKNPGLSVEIKAFYGGNLYLMFTKKTYTDVRLVGAPPSSIGKFGADTDNWIWPRHTGDFSIFRIYADKNGNPAPYSEDNVPLKPKRFFNISLGGVQENDYAMIMGFPGTTHRYFTASEVDEWKSIDNDIRIRMRDIRQGVMLREMLADPQIKIMYSAKYAASQNAYKRAIGA...
5SDP_1_k12
2
-5.4
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753
Q86X55
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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6D2L_2_k12
0
-3.3
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174
Q9H930
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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QEFDCERFRADIRATAAAIGAPIAHRLTDTVLEAFRDNFAQGATLWKTTSQPGDQLSYSFFSRLKMDTVSRAIDAGLLDAAHPTLAVVDAWSSLYGGAPVQSGDFDAGRGMAKTWLYFGGLRPAEDILTVPALPASVQARLKDFLALGLAHVRFAAVDWRHHSANVYFRGKGPLDTVQFARIHALSGSTPPAAHVVEEVLAYMPEDYCVAITLDLHSGDIERVCFYALKVPKNALPRIPTRIARFLEVAPSHDVEECNVIGWSFGRSGDYVKAERSYTGNMAEILAGWNCFFHGEEGRDHDLRALHQ
2XM7_3_k12
0
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s187
P01889
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3ZWT_3_k12
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P40950
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4I8I_1_k12
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62551
Q816R0
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OCCOCCOCCOCCOCCO
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5WH8_2_k12
0
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753
Q8C4X2
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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4K0T_1_k12
0
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s605
Q58F21
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COc1ccc(C2C=C(N(CC3C=CC=CN3)CC3C=CC=CN3)NC(N)N2)cc1
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5J5G_2_k12
1
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31275
P05364
[CH2][OH0][CH2][CH2][OH0][CH2][Ring1][=Branch1]
C1COCCO1
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6LC8_1_k12
0
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64960
Q5JCZ1
[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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1UC2_2_k12
0
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753
P47929
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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VSFLRTEDMVCLSCTATGERVCLAAEGFGNRHCFLENIQDKNIPPDLSQCVFVIEQALSVRALQELVTGHRTLLYGNAILLRHLNSDMYLACLSTSSSQDKLAFDVGLQEHSQGEACWWTLHPASKQRSEGEKVRVGDDLILVSVATERYLHTTKENEVSIVNASFHVTHWSVQPYGVSFLRTEDMVCLSCTATGERVCLAAEGFGNRHCFLENIQPDLSQCVFVIEQALSVRALQELVTHRTLLYGNAILLRHLNSDMYLACLSTSSSQDKLAFDVGLQEHSQGEACWWTLHPASKQRSEGEKVRVGDDLILVSVATER...
5Y9V_1_k12
0
-3
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11036532
P31645
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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
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6AWO_3_k12
2
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s166
P06971
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NC1C=CN([C@@H]2O[C@@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C(O)N1
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1RO8_1_k12
1
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753
P42403
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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4ZFM_2_k12
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753
Q86W56
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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4B1H_3_k12
0
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s148
O75874
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6VEI_4_k12
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s582
P51449
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CCS(=O)(=O)c1ccc(CC(=O)N[C@@H]2NC(c3cc(Cl)ccc3Cl)=C(c3ccccc3)S2)cc1
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4XT9_1_k12
1
-12.6
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s687
P83793
[P@@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][Branch2][Branch1][Ring1][OH0][P@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][OH0][CH2][C@@H1][C@@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch2][Ring1][Branch1][NH0][CH2][CH0][Branch1][O][CH1][Branch1][=Branch1][NH0][Branch1][C][H][H][OH0][H][=C...
NC1=C2NCN([C@@H]3O[C@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]4O[C@@H](N5C=CC=C(C(N)O)C5)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)C2NCN1
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3RF7_3_k12
1
-11.5
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s685
Q9Y233
[NH0][Branch2][Ring1][=Branch2][CH0][=Branch1][C][=OH0][NH0][Branch1][C][H][CH2][CH2][NH0][NH0][Branch1][C][H][CH1][Branch1][C][CH3][CH1][=CH0][Ring1][#Branch1][CH3][Branch1][C][H][CH1][NH0][Branch1][=Branch2][CH0][=CH1][CH1][=CH1][CH1][=CH1][Ring1][=Branch1][NH0][Branch1][C][H][CH1][=CH1][Ring1][N]
CC1=CC(C)NN1CCNC(=O)NC1C=CNN1c1ccccc1
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QGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEET
5SJD_1_k12
1
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s21
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7OWR_1_k12
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3FD7_1_k12
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25022057
P29474
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6VDF_4_k12
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867
P58154
[CH2][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][CH0][=Branch1][C][=OH0][OH0][H]
O=C(O)CC(=O)O
SdTvQvYfPdVeVaDeHaEeFwDaAeVeVeVeGdAlGaGlAqGrLlRlAlAqFlGlLlSlEvAlGpFtNrTyAeCyVeTyKqLaFdPsTlRpSaHpTlVqAqAfQfGfGfIaNfAaAqLpGqNpMpEhEhDaNdWlRlWlHvFlYlDqTqVcKlGlSqDlWnLlGfDfQfDqAlIsHlYlMlTsEvQcArPnAvSlVvVvEvLlEvNvYlGpMqPpFaSdRaTdEpDvGrKdIqYfQwRfAfFaGfGrQgSdLgKpFnGpKpGrGaQtAdHtRgCgCgCaVpAqDrRrTrGsHsSsLsLsHvTsLsYvGvRsSsLvRvYg...
STQYPVVDHEFDAVVVGAGGAGLRAAFGLSEAGFNTACVTKLFPTRSHTVAAQGGINAALGNMEEDNWRWHFYDTVKGSDWLGDQDAIHYMTEQAPASVVELENYGMPFSRTEDGKIYQRAFGGQSLKFGKGGQAHRCCCVADRTGHSLLHTLYGRSLRYDTSYFVEYFALDLLMENGECRGVIALCIEDGSIHRIRARNTVVATGGYGRTYFSCTSAHTSTGDGTAMVTRAGLPCQDLEFVQFHPTGIYGAGCLITEGCRGEGGILINSQGERFMERYAPVAKDLASRDVVSRSMTLEIREGRGCGPEKDHVYLQLHHL...
3AED_3_k12
0
-4.9
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679
P0DTC1
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
SdGaFdRdKqMdAaFdPdScGvKlVqElGlCqMwVkQwVkTaCaGdThTaTiLaNiGwLgWaLaDfDqVkVtYkCfPfRlHcVsIlCdTdSpEvDcMqLaNpPhNpYsEvDvLsLcIvRpKdSdNqHvNrFiLwViQqArGpNnVdQtLwRrVfIdGdHwSdMdQqNaCgVmLiKiLtKgVtDpTgAtNrPpKsThPfKaYeKdFfVdRaIdQdPfGlQaTkFwSkVwLqAfCdYaNnGrSgPgSdGdViYgQmCwAtMqRfPnNlFrTwIiKqGdSdFhLdNpGrSrCfGqStVwGtFwNdIdDdYvDgCyViShFtCh...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVT
7GG8_1_k12
0
-2
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5288845
P9WQP1
[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
SdRqPpGpLaPqVwEdYfLdQfVfPdSdPpSqMfGrRgDtIwKtVkQiFkQhSaGlGaNaNqSfPaAeVeYeLeLeDaGaLqRqAfQaDqDpYdNgGpWcDvIvNqTaPsAlFsEvWlYcYhQnSlGsLySmIyViMyPtVgGdGdQrSlSqFlYlSdDqWwYqSaPwAwCqGfKpAvGgCtQtTgYrKhWrElTcFcLlTqSpErLpPlQvWcLcScAvNpRpAnVyKnPqTfGlSyAaAyIaGyLeSeMsAnGlSlSvArMlIlLsAcAlYpHpPvQrQrFhIqYeAyGeSyLeSlAyLqLqDaPlSlQdGdMcGnPq...
SRPGLPVEYLQVPSPSMGRDIKVQFQSGGNNSPAVYLLDGLRAQDDYNGWDINTPAFEWYYQSGLSIVMPVGGQSSFYSDWYSPACGKAGCQTYKWETFLTSELPQWLSANRAVKPTGSAAIGLSMAGSSAMILAAYHPQQFIYAGSLSALLDPSQGMGPSLIGLAMGDAGGYKAADMWGPSSDPAWERNDPTQQIPKLVANNTRLWVYCGNGTPNELGGANIPAEFLENFVRSSNLKFQDAYNAAGGHNAVFNFPPNGTHSWEYWGAQLNAMKGDLQSSLGAG
1F0P_3_k12
0
-3.7
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64960
Q6P9V9
[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
DdApLdKcWcSvVvLlGvLvLvGvLvLvVlGvYvLvVlVvLvMcYvApQpGdEnYvLvFvAsIvTvTsLnIvLlSvSvAvGvLsYvIcFvAdNdRpKpApYvAvWvRvYvVvYsPvGvMvAvGcMcGcLvFpVpLvFvPvLlVvCvTlIvAvIlAlFqTkNfYcSfSqTqNqQvLaTaFpEvRvAfQvEvVvLqLqDvRdSkWdQfAdGwKaTkYwNfFkGwLwYfPdAdGdDpEwWiQkLiAkLtSaDgGpEpTpGgKwNiYwLiSwDdAtFdKhFfGdGaEaQdKeLtQeLiKdEgTdTdAdQdPdEpGgEdRtAdNd...
DALKWSVLGLLGLLVGYLVVLMYAQGEYLFAITTLILSSAGLYIFANRKAYAWRYVYPGMAGMGLFVLFPLVCTIAIAFTNYSSTNQLTFERAQEVLLDRSWQAGKTYNFGLYPAGDEWQLALSDGETGKNYLSDAFKFGGEQKLQLKETTAQPEGERANLRVITQNRQALSDITAILPDGNKVMMSSLRQFSGTQPLYTLDGDGTLTNNQSGVKYRPNNQIGFYQSITANWGDEKLSPGYTVTTGWKNFTRVFTDEGIQKPFLAIFVWTVVFSLITVFLTVAVGMVLACLVQWEALRGKAVYRVLLILPYAVPSFISIL...
2R6G_1_k12
2
-5.2
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90655273
A7QEU4
[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
DdLfQaIfGpFpYcNvTpSqCfPvTcAlElSvLlVlQlQvAlVlAvAvAvFcAvNvNpSvGqIlAqPlGlLlIlRvMlHqFlHlDcCcFqVfRlGgClDaAlSqVcLqLaDpSaTdApNvNaTdAfElKcDpAaIqPvNrNpPpSpLrRdGnFsEvVsIlTqAsAsKlSvAvVrEcAvArCrPnQfTdVaSaCsAsDvIsLsAlFsAsAnRqDsSsAlNcLvAqGaNvIqThYdQtVaPgSdGfRfRhDhGaTaVdSgLhAsSvErAsNnApQlIdPdSaPlLqFdNaAlTvQsLqIqNvSsFvAvNvKqTvLdThAsDl...
DLQIGFYNTSCPTAESLVQQAVAAAFANNSGIAPGLIRMHFHDCFVRGCDASVLLDSTANNTAEKDAIPNNPSLRGFEVITAAKSAVEAACPQTVSCADILAFAARDSANLAGNITYQVPSGRRDGTVSLASEANAQIPSPLFNATQLINSFANKTLTADEMVTLSGAHSIGVAHCSSFTNRLYNFNSGSGIDPTLSPSYAALLRNTCPANSTRFTPITVSLDIITPSVLDNMYYTGVQLTLGLLTSDQALVTEANLSAAVKANAMNLTAWASKFAQAMVKMGQIEVLTGTQGEIRTNCSVVNS
3HDL_5_k12
0
-4.9
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s7
Q53239
[NH0][Branch1][C][H][CH2][NH0][Branch1][C][H][CH1][CH0][=Branch1][=Branch2][=CH0][Ring1][Branch2][NH0][Branch1][C][H][H][NH0][Branch1][C][H][CH2][NH0][Ring1][#Branch2][C@@H1][OH0][C@H1][Branch1][Ring2][CH2][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@H1][Ring1][#Branch2][OH0][H]
NC1=C2NCN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C2NCN1
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6H1B_2_k12
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A0A0H3JU78
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6L4L_1_k12
0
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82313
P54635
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CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O
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3Q3A_4_k12
0
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Q9I8L5
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2QO4_2_k12
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s802
Q92830
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CN1C[C@H](NC2Nc3cc[nH]c3C(=O)N2C)C[C@@H](c2ccc3c(c2)OCCO3)C1
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6J3P_1_k12
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s1050
P55055
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CC1N[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2S1
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8K2K_2_k12
2
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s488
Q96SW2
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NC1=CNCN1[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O
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1TZ3_1_k12
2
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3776
P00760
[CH3][C@@H1][Branch1][C][CH3][OH0][H]
CC(C)O
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SLFELGKMILQETGKNPAKSYGAYGCNCGVLGRGKPKDATDRCCYVHKCCYKKLTGCNPKKDRYSYSWKDKTIVCGENNPCLKELCECDKAVAICLRENLGTYNKLYRYHLKPFCKKADDCSLFELGKMILQETGKNPAKSYGAYGCNCGVLGRGKPKDATDRCCYVHKCCYKKLTGCNPKKDRYSYSWKDKTIVCGENNPCLKELCECDKAVAICLRENLGTYNKLYRYHLKPFCKKADDC
2OK9_1_k12
0
-2.9
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81139
P14350
[CH1][=CH1][CH1][=CH1][CH0][=CH0][Ring1][=Branch1][NH0][Branch1][=Branch2][CH2][CH2][CH0][=Branch1][C][=OH0][OH0][H][CH1][=CH1][Ring1][O]
O=C(O)CCn1ccc2ccccc21
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7YYA_1_k12
2
-6.9
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4369116
P01857
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C[C@H](O)[C@H](O)[C@H]1CNC2=C(N1)C(=O)NC(N)N2
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5VVD_2_k12
1
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162884050
Q8DIF8
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3WU2_3_k12
2
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174
P02794
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
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5UP7_1_k12
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s1064
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6MC1_1_k12
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62551
Q9H1K0
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7BWW_2_k12
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7669
P29274
[CH0][Branch1][#Branch1][CH2][NH0][Branch1][C][CH3][H][=CH1][CH1][=CH1][CH1][=CH1][Ring1][#Branch2]
CNCc1ccccc1
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TLVHVASVEKGRSYEDFQKVYNAIALKLREDDEYDNYIGYGPVLVRLAWHISGTWDKHDNTGGSYGGTYRFKKEFNDPSNAGLQNGFKFLEPIHKEFPWISSGDLFSLGGVTAVQEMQGPKIPWRCGRVDTPEDTTPDNGRLPDADKDAGYVRTFFQRLNMNDREVVALMGAHALGKTHLKNSGYEGPGGAANNVFTNEFYLNLLNEDWKLEKNDANNEQWDSKSGYMMLPTDYSLIQDPKYLSIVKEYANDQDKFFKDFSKAFEKLLEDGITFPKDAPSPFIFKTLEEQGL
2RBT_2_k12
2
-5.5
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5460538
Q2G506
[C@H1][Branch1][=Branch1][NH0][Branch1][C][H][H][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][CH2][CH2][Se][CH3]
C[Se]CC[C@@H](N)C(=O)O
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NPKDARHDGWQTLKRFLPYLWPADNAVLRRRVVGAILMVLLGKATTLALPFAYKKAVDAMTLGGGAQPALTVALAFVLAYALGRFSGVLFDNLRNIVFERVGQDATRHLAENVFARLHKLSLRFHLARRTGEVTKVIERGTKSIDTMLYFLLFNIAPTVIELTAVIVIFWLNFGLGLVTATILAVIAYVWTTRTITEWRTHLREKMNRLDGQALARAVDSLLNYETVKYFGAESREEARYASAARAYADAAVKSENSLGLLNIAQALIVNLLMAGAMAWTVYGWSQGKLTVGDLVFVNTYLTQLFRPLDMLGMVYRTIRQ...
4MRR_2_k12
0
-4.5
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s45
Q739M9
[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
LdTaPqEvQvIvIqAvVcDcGlAqHpLdWdHdPdYpSdSdIrGnRpEdApVdSgPdVwVdAwVdAdAwHdGfAqWwLtTfLtIdRdDpGnQdPtIaEiVfLgDaAqMaScSvWvWqTaAqIqHrGtHpGpHdPvAlLlDvQvAlLlTvTvQlLvRvVpMdNqHfVdMfFpGvGvLdTdHdEdPlAlAvRlLlAlKvLvLvVqDvIpTdPqAdGqLfDrTdVkFwFkSdDfSaGqSlVvSlVvEvVlAvAlKlMlAlLqQlYlWcRlGlRvGvLqPnGlKaRrRaLeMeTeWeRaGlGaYaHrGdDdTdFqLqArMlSqIp...
LTPEQIIAVDGAHLWHPYSSIGREAVSPVVAVAAHGAWLTLIRDGQPIEVLDAMSSWWTAIHGHGHPALDQALTTQLRVMNHVMFGGLTHEPAARLAKLLVDITPAGLDTVFFSDSGSVSVEVAAKMALQYWRGRGLPGKRRLMTWRGGYHGDTFLAMSICDPHGGMHSLWTDVLAAQVFAPQVPRDYDPAYSAAFEAQLAQHAGELAAVVVEPVVQGAGGMRFHDPRYLHDLRDICRRYEVLLIFDEIATGFGRTGALFAADHAGVSPDIMCVGKALTGGYLSLAATLCTADVAHTISAGAAGALMHGPTFMANPLACA...
4XJL_2_k12
2
-5.7
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176
I2DBY1
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
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6HZ1_3_k12
0
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s688
Q9KGN8
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CN1C(=O)N[C@@]2(OO)C(=O)NC(=O)N[C@@H]12
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4CW6_2_k12
2
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318460
Q5XIM7
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O=S1(=O)CCN(Cc2ccco2)CC1
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7B60_1_k12
2
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146170579
P23909
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6URY_2_k12
2
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s286
P00918
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8SMD_1_k12
1
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s443
P00396
[CH0][Branch2][Ring2][C][NH0][Branch1][C][H][CH0][=CH0][Branch1][=Branch1][NH0][Branch1][C][H][H][NH0][Branch1][C][H][CH1][Branch1][=Branch1][NH0][Branch1][C][H][H][NH0][Branch1][C][H][CH0][Ring1][=C][=OH0][=Branch1][C][=OH0][NH0][Branch1][C][H][CH0][=CH1][CH1][=CH0][Branch2][Ring1][#Branch2][CH0][Branch2][Ring1][Branc...
NC1=C(NC(=O)Nc2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)C(=O)NC(N)N1
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MEAIIISGTEMAKHIQKEIQRGVESWVSLGNRRPHLSIILVGDNPASHTYVRNKIRAASAVGICSELILKPKDVSQEELLDVTDQLNMDPRVSGILVQLPLPDHVDERTICNGIAPEKDVDGFHIINIGRLCLDQHSLIPATASAVWEIIKRTGIQTFGKNVVVAGRSKNVGMPIAMLLHTDGEHERPGGDATVTIAHRYTPKEQLKIHTQLADIIIVAAGIPKLITSDMVKEGAAVIDVGINYVKLVGDVDFEAVKKKAGFITPVPGGVGPMTVAMLLKNTLLAAKKIIY
7QEI_2_k12
1
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679
Q8RD88
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
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DPEVTLLLQCPGGGLPQEQIQAELSPAHDRRPLPGGDEAITAIWETRLKAQPWLFDAPKFRLHSATLAPIGSRGPQLLLRLGLTSYRDFLGTNWSSSAAWLRQQGATDWGDTQAYLADPLGVGAALATADDFLVFLRRSRQVAEAPGLVDVPGGHPEPQDLAGQLVVHELFSSVLQEICDEVNLPLLTLSQPLLLGIARNETSAGRASAEFYVQCSLTSEQVRKHYLSGGPEAHESTGIFFVETQNVRRLPETEMWAELCPSAKGAIILYNRVQGSPTGAALGSPALLPPL
5R5M_2_k12
0
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s527
P9WLZ3
[PH0][Branch1][Ring1][OH0][H][Branch1][#Branch1][CH2][CH2][CH2][CH2][CH2][CH3][OH0][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3]
CCCCCCCCOP(O)CCCCCC
SdNdIdIdAlGlMfDdLlNvRlLlDvRvIlAvEvHcLcDcRvApYdLpHvPlGaKlLfAqGwTkMwTkLwVkAdRfRpGlEgVtVsYdCtQdAtQdGhLaRlDeVvEvRvQrLhPgVaEdRlDqTfLkFfRqIqYfSqMlTlKlPvIlTlSlIlAlLlMlQlLcYvEvQvGvRlFdLdLqDaEdPaVvHcKvYlIvPvTlWqKpNqLaRfVaYfKdTdGdSaHpPpQdMtLdTgThAhPaQpRdPgMaTgIlRqDlLlLlTfHqQlSrGlLaTeYdGlFvMlNpRdTdNsVqDsAvAvYcRvSvLlKvLlDvGdGdPaGl...
SNIIAGMDLNRLDRIAEHLDRAYLHPGKLAGTMTLVARRGEVVYCQAQGLRDVERQLPVERDTLFRIYSMTKPITSIALMQLYEQGRFLLDEPVHKYIPTWKNLRVYKTGSHPQMLTTAPQRPMTIRDLLTHQSGLTYGFMNRTNVDAAYRSLKLDGGPGHTLDRLIDELARLPLEFSPGTAWNYSVATDVCGYLVQLLSGMSLDDYFSKHIFQPLGMPDTFFTVPAEKLSRFAACYEYQPGDSFSLQDDPQGSAFAKAHGYLSGGGGLVSCVDDYYRFAQALANGGELDGARIIGRKTLEFMRMNHLPDNKGLPDVAIG...
7PU6_1_k12
2
-5.7
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4H75_1_k12
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753
O60885
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1ZFQ_1_k12
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124886
P84751
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174
Q6P988
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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7P7F_1_k12
0
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s97
P29477
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8SL9_2_k12
1
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444205
P11197
[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]
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5VKS_5_k12
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439357
P04397
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OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O
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1Z45_1_k12
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SQLEIRDLWASIDGETILKGVNLVVPKGEVHALMGPNGAGKSTLGKILAGDPEYTVERGEILLDGENILELSPDERARKGLFLAFQYPVVPGVTIANFLRLALQAKLGREVGVAEFWTKVKKALELLDWDESYLSRYLNEGEKKRNEILQLLVLEPTYAVLDETDSGLDIDALKVVARGVNAMRGPNFGALVITHYQRILNYIQPDKVHVMMDGRVVATGGPELALELEAKGYEWLKEK
2D2E_1_k12
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s223
Q8CM25
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Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@H]1O[C@@H](N3CNC4=C(N)NCNC43)[C@H](O)[C@@H]1O)c1[nH]c(=O)[nH]c(=O)c1N2
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YIDCAVIGAGPAGLNASLVLGRARKQIALFDNNTNRNRVTQNSHGFITRDGIKPEEFKEIGLNEVMKYPSVHYYEKTVVMITKQSTGLFEIVTKDHTKYLAERVLLATGMQEEFPSIPNVREYYGKSLFSCPYCDGWELKDQPLIIISENEDHTLHMTKLVYNWSTDLVIATNGNELSQTIMDELSNKNIPVITESIRTLQGEGGYLKKVEFHSGLRIERAGGFIVPTFFRPNQFIEQLGCELQSNGTFVIDDFGRTSEKNIYLAGETTTQGPSSLIIAASQGNKAAIAINSDITDERF
4FK1_2_k12
1
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6503
Q24368
[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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GAMAPSYRVKRMDIAKNDEECVVNAANPRGLPGDGVCKAVYKKWPESFKNSATPVGTAKTVMCGTYPVIHAVGPNFSNYTESEGDRELAAAYREVAKEVTRLGVNSVAIPLLSTGVYSGGKDRLTQSLNHLFTAMDSTDADVVIYCRDKEWEKKISEAIQMRTPSYRVKRMDIAKNDEECVVNAANPRGLPGDGVCKAVYKKWPESFKNSATPVGTAKTVMCGTYPVIHAVGPNFSNYTESEGDRELAAAYREVAKEVTRLGVNSVAIPLLSTGVYSGGKDRLTQSLNHLFTAMDSTDADVVIYCRDKEWEKKISEAIQM...
7H8S_3_k12
0
-4
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