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
s577
P00734
[CH1][=CH1][CH1][=CH0][CH2][CH0][=Branch1][C][=OH0][NH0][Branch1][C][H][C@@H1][Branch1][#Branch2][CH2][CH2][CH2][CH2][NH0][Branch1][C][H][H][CH0][=Branch1][C][=OH0][NH0][Branch1][C][H][C@@H1][Branch1][#Branch2][CH2][CH2][CH2][CH2][NH0][Branch1][C][H][H][CH0][=Branch1][C][=OH0][NH0][Branch1][C][H][CH2][CH2][CH2][CH2][C@...
NCCCC[C@@H]1NC(=O)Cc2cccc(c2)CNC(=O)CCNC(=O)[C@H](NC(N)=[NH2+])CCCCNC(=O)[C@H](CCCCN)NC1=O
VdDdMdYdIdEdRdAdGdDdIdTdWdEdKvDpAdEdVdTdGdNdSdPdRdLfDdVwAdLaDdEpSvGgDdFiSdLgVdEdTqTdDwGdVkYdRfVaMwTdRdRdLpLdGdSiTwQtVqGaVmGwVtMrQdEpGnVkFtHkTfMfWcHvVsTpKvGqAqAwLgRdSdGpEpGdRiLwDhPwYdWdGhDdVvKvQlDrLmVtSmYtCpGdPdWaKdLaDaAdAaWdDpGqLaSdEkVkQwLfLqAfVdPaPiGpEdRdAgKdNiIdQiTdLrPwGdIwFdKqTdKpDvGgDiIfGtAkVaAqLdDaYgPdAnGsTsSgGhSt...
VDMYIERAGDITWEKDAEVTGNSPRLDVALDESGDFSLVETTDGVYRVMTRRLLGSTQVGVGVMQEGVFHTMWHVTKGAALRSGEGRLDPYWGDVKQDLVSYCGPWKLDAAWDGLSEVQLLAVPPGERAKNIQTLPGIFKTKDGDIGAVALDYPAGTSGSPILDKCGRVIGLYGNGVVIKNGSYVSAITQGKREEETPVE
6KK4_2_k12
1
-8.9
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444205
Q8GBW6
[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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SVTCPGGQSTSNSQCCVWFDVLDDLQTNFYQGSKCESPVRKILRIVFHDAIGFSPALTAAGQFGGGGADGSIIAHSNIELAFPANGGLTDTIEALRAVGINHGVSFGDLIQFATAVGMSNCPGSPRLEFLTGRSNSSQPSPPSLIPGPGNTVTAILDRMGDAGFSPDEVVDLLAAHSLASQEGLNSAIFRSPLDSTPQVFDTQFYIETLLKGTTQPGPSLGFAEELSPFPGEFRMRSDALLARDSRTACRWQSMTSSNEVMGQRYRAAMAKMSVLGFDRNALTDCSDVIPSAVSNNAAPVIPGGLTVDDIEVSCPSEPFP...
1C8I_2_k12
0
-4.6
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356
P05024
[CH2][Branch1][Ring2][CH2][CH2][CH3][CH2][CH2][CH2][CH3]
CCCCCCCC
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MPNFFIDRPIFAWVIAIIIMLAGGLAILKLPVAQYPTIAPPAVTISASYPGADAKTVQDTVTQVIEQNMNGIDNLMYMSSNSDSTGTVQITLTFESGTDADIAQVQVQNKLQLAMPLLPQEVQQQGVSVEKSSSSFLMVVGVINTDGTMTQEDISDYVAANMKDAISRTSGVGDVQLFGSQYAMRIWMNPNELNKFQLTPVDVITAIKAQNAQVAAGQLGGTPPVKGQQLNASIIAQTRLTSTEEFGKILLKVNQDGSRVLLRDVAKIELGGENYDIIAEFNGQPASGLGIKLATGANALDTAAAIRAELAKMEPFFPSG...
7OUK_2_k12
0
-3.5
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679
P36889
[OH0][=S@][Branch1][C][CH3][CH3]
CS(C)=O
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7H98_1_k12
0
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177
Q00511
[CH1][=Branch1][C][=OH0][CH3]
CC=O
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3PK5_1_k12
0
-1.3
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8117
O81395
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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7MY9_2_k12
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P0C024
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
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4FKJ_3_k12
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31275
Q92831
[CH2][OH0][CH2][CH2][OH0][CH2][Ring1][=Branch1]
C1COCCO1
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3VAJ_2_k12
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753
Q9U6Y7
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
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6MAS_2_k12
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702
Q58719
[CH2][Branch1][C][OH1][CH3]
CCO
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7NFG_1_k12
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444205
Q6P988
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6ZVL_1_k12
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753
P0AEG4
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4WF5_2_k12
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s40
P02974
[NH0][Branch1][C][H][CH1][Branch1][C][CH3][CH0][Branch1][Ring1][OH0][H][=CH0][Branch1][C][CH3][CH0][Branch1][N][CH2][OH0][P@][Branch1][C][OH1][=Branch1][C][=OH0][OH0][H][=CH1][Ring2][Ring1][C]
CC1=C(O)C(C)NC=C1COP(=O)(O)O
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7KZD_1_k12
2
-6.1
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2403
J9U5U9
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Cn1cc(C2=C(c3cn(CCCN)c4ccccc34)C(=O)NC2=O)c2ccccc21
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1UVR_2_k12
1
-10.2
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679
P13501
[OH0][=S@][Branch1][C][CH3][CH3]
CS(C)=O
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6ROF_2_k12
0
-2
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753
P08709
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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IVGGKVCPKGECPWQVLLLVNGAQLCGGTLINTIWVVSAAHCFDKIKNWRNLIAVLGEHDLSEHDGDEQSRRVAQVIIPSTYVPGTTNHDIALLRLHQPVVLTDHVVPLCLPERTFSERTLAFVRFSLVSGWGQLLDRGATALELMVLNVPRLMTQDCLQQSRSPNITEYMFCAGYSDGSKDSCKGDSGGPHATHYRGTWYLTGIVSWGQGCATVGHFGVYTRVSQYIEWLQKLMRSEPRPGVLLRAPFP
5PB3_2_k12
0
-4
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8117
P0A2K1
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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MERYENLFAQLNDRREGAFVPFVTLGDPGIEQSLKIIDTLIDAGADALELGVPFSDPLADGPTIQNANLRAFAAGVTPAQCFEMLALIREKHPTIPIGLLMYANLVFNNGIDAFYARCEQVGVDSVLVADVPVEESAPFRQAALRHNIAPIFICPPNADDDLLRQVASYGRGYTYLLSRSGVTGAENRGALPLHHLIEKLKEYHAAPALQGFGISSPEQVSAAVRAGAAGAISGSAIVKIIEKNLASPKQMLAELRSFVSAMKAASRATTLLNPYFGEFGGMYVPQILMPALNQLEEAFVSAQKDPEFQAQFADLLKNYA...
7JTT_2_k12
0
-3.3
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444205
P60016
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5V8V_1_k12
0
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46926551
Q57556
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5HXH_3_k12
0
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57059112
Q7SZ10
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1JK7_2_k12
1
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753
A0A0E4AFG7
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
RdLdLqTwFwVqRlDvIqMfHdTfGdDpDlTaPqVeIdGeLqEqAaSfVvRlDsAfLvLvEsMcTvAvKnKvLqGqMkThAfIyVdDyGpAvGqTfItQqGfVmFaTgDvGvDlLvRvRvLvLvEvKpAdQdDpIrHrAgThPgIcTvAvVrMtTgRgSvCdVdTaVeEeGrSrLhLtAlAlEvAvVvRvIvMcEvQvKvRvIhNfAkLhPfVyVdEdNvGrRrLtIgGgAmIdNgMvHvDsLcLvRvAvGvVvLd
RLLTFVRDIMHTGDDTPVIGLEASVRDALLEMTAKKLGMTAIVDGAGTIQGVFTDGDLRRLLEKAQDIHATPITAVMTRSCVTVEGSLLAAEAVRIMEQKRINALPVVENGRLIGAINMHDLLRAGVL
4O9K_2_k12
0
-3.1
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10394
P00489
[CH1][=CH1][CH0][Branch1][Ring1][OH0][H][=CH1][CH1][=CH0][Ring1][Branch2][CH2][CH2][CH0][=Branch1][C][=OH0][OH0][H]
O=C(O)CCc1ccc(O)cc1
GdPwVdPfSdRaAaRpVpYlTrDcVlNvTvHvRdPdScEqYlWaDvYlEvSpHdVdVfEdWaGdNdQpDvDqYkQdLfVdRdKwLpGdRaGdKpYfSwEtVkFtEwAiIaNrIvTvNvNrEaKiVkViVkKtIfLgKaPpVdAdApAvKlIvKsRnElIvKsIlLlEvNlLcRaGpGfPqNqIaIwThLfApDgIwVhKqDdPpVvSrRrTgPiAiLtViFtEhHdVfNpNaTdDdFvKvQvLvYlQlTdLdTaDlYvDlIvRlFlYvMlYlEsIvLlKsAvLlDvYvCsHvSnMnGqIkMaHqRqDaVdKdPpHvNqVw...
GPVPSRARVYTDVNTHRPSEYWDYESHVVEWGNQDDYQLVRKLGRGKYSEVFEAINITNNEKVVVKILKPVAAAKIKREIKILENLRGGPNIITLADIVKDPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMGIMHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGTEDLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFLDKLLRYDHQSRLTAREAMEHP...
5MOV_1_k12
1
-7.3
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s242
Q9K151
[C@@H1][Branch1][N][CH2][OH0][P@][=Branch1][C][=OH0][Branch1][C][OH1][OH0][H][OH0][C@@H1][Branch1][S][NH0][CH2][NH0][Branch1][C][H][CH1][=CH0][Ring1][=Branch1][NH0][Branch1][C][H][H][C@H1][Branch1][Ring1][OH0][H][C@@H1][Ring2][Ring1][#Branch1][OH0][H]
NC1=CNCN1[C@@H]1O[C@@H](COP(=O)(O)O)[C@@H](O)[C@H]1O
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MWNSRKVGVLGGGQLGRMLVESANRLNIQVNVLDADNSPAKQISAHDGHVTGSFKEREAVRQLAKTCDVVTAEIEHVDTYALEEVASEVKIEPSWQAIRTIQNKFNQKEHLRKYGIPMAEHRELVENTPAELAKVGEQLGYPLMLKSKTMAYDGRGNFRVNSQDDIPEALEALKDRPLYAEKWAYFKMELAVIVVKTKDEVLSYPTVETVQEDSICKLVYAPARNVSDAINQKAQELARKAVAAFDGKGVFGVEMFLLEDDSIMLCEIASRIHNSGHYTIEGCALSQFDAHLRAILDLPIPAQSLEIRQPSIMLNIIGGA...
3K5I_2_k12
1
-7.8
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8900
P02945
[CH2][Branch1][Ring2][CH2][CH2][CH3][CH2][CH2][CH3]
CCCCCCC
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ITGRPEWIWLALGTALMGLGTLYFLVKGMGVSDPDAKKFYAITTLVPAIAFTMYLSMLLGYGLTMVPFGGEQNPIYWARYADWLFTTPLLLLDLALLVDADQGTILALVGADGIMIGTGLVGALTKVYSYRFVWWAISTAAMLYILYVLFFGFTSKAESMRPEVASTFKVLRNVTVVLWSAYPVVWLIGSEGAGIVPLNIETLLFMVLDVSAKVGFGLILLRSRAIFGEAE
6GAG_7_k12
0
-3.2
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90655273
O96935
[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
MdRaEaCeIaSeIeHaVkGaQlAqGsVlQlIlGvNvAlCqWvEvLqYlCcLvEvHqGvIaQaPlDlGqQaMhPvSpDpKpTdIaGqGdGdDdDaSlFqNvTnFqFfShEhThGnArGrKgHtVaPgRnAyVaFyVeDfLqEdPcTpVrIvDvEcVcRcTpGdTsYnRvQnLrFdHdPpElQrLyIyTyGhKhEdDgAqAqNqNfYlAlRcGqHqYpTvIpGlKvEvIcIvDvLsVvLvDvRsInRvKvLsAvDvQvCtTpGhLhQqGaFyLeVyFeHaSeFlGrGrGsTtGrSqGnFnTvSlLnLnMlEvRvLcScVvDv...
MRECISIHVGQAGVQIGNACWELYCLEHGIQPDGQMPSDKTIGGGDDSFNTFFSETGAGKHVPRAVFVDLEPTVIDEVRTGTYRQLFHPEQLITGKEDAANNYARGHYTIGKEIIDLVLDRIRKLADQCTGLQGFLVFHSFGGGTGSGFTSLLMERLSVDYGKKSKLEFSIYPAPQVSTAVVEPYNSILTTHTTLEHSDCAFMVDNEAIYDICRRNLDIERPTYTNLNRLISQIVSSITASLRFDGALNVDLTEFQTNLVPYPRIHFPLATYAPVISAEKAYHEQLSVAEITNACFEPANQMVKCDPRHGKYMACCLLYR...
5S5R_2_k12
2
-5.3
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444205
Q9URZ0
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3A5V_1_k12
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77136401
P00698
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3AQ0_1_k12
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447550
O66496
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1ZJI_2_k12
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14883482
P22303
[CH2][CH2][CH2][CH2][CH2][C@@H1][Ring1][=Branch1][OH0][PH0][Branch1][C][CH3][OH0][H]
CP(O)OC1CCCCC1
EdDdApEqLqLwVfTaVaRpGqGgRiLeRgGwIdRwLdKdTfPpGlGgPiVkSiAkFfLaGfIaPaFqAfEdPqPcMaGqPlRnRfFlLaPaPtEhPgKdQhPhWdSpGdVyVdDyArTyTdFhQdSaVaCeYdQaYdVqDdTdLpYpPpGpFdEpGqTrEvMlWfNgPgNpRhEhLySdEsDrCfLwYgLkNmVkWmTaPgYvPrRqPaTpSaPaTfPaVeLeVeWeIdYeGaGdGlFqYgSgGgAdScSrLrDpVlYnDpGqRhFvLlVcQhAlElRvThVmLyVmSyMtNhYfRhVgGfAcFrGqFaLqAdLqPpGp...
EDAELLVTVRGGRLRGIRLKTPGGPVSAFLGIPFAEPPMGPRRFLPPEPKQPWSGVVDATTFQSVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLVWIYGGGFYSGASSLDVYDGRFLVQAERTVLVSMNYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASVGMHLLSPPSRGLFHRAVLQSGAPNGPWATVGMGEARRRATQLAHLVGCPPGNDTELVACLRTRPAQVLVNHEWHVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVL...
6WVP_1_k12
2
-5.8
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10900194
Q02293
[C@@H1][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][CH2][C@@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][=Branch2][C@H1][Branch1][Ring1][OH0][H][CH2][OH0][H][OH0][Ring2][Ring1][Ring2]
O=C(O)[C@@H]1C[C@@H](O)[C@@H](O)[C@@H]([C@H](O)CO)O1
MdVaTdHpRvQrRvYlRvEvKqVlSvQlMlVvSlWlGlHvWvFlAlLvFvNlIlLvLvSlLcVvIlGlSvRlYlLqFvIqAaDdWaPfTpTdLpAvGlRnIvYlSvYvVlSaIsIlGqHvFsSsFcLvVsFvAvTcYcLvLvIpLlFnPvLvTsFnIvVdGpSdQsRvLvMsRlFvLvSvVlIvLvAsTlAvGvMvTlLlLsLnIlDqSsEvVlFcTnRqFqHvLaHgLdNdPqIlVsWvQvLlVvIvNdPpDpEpNvEvMvAvRvDvWcQcLsMvFpIpSvVsPvVvIsLsLvLvEsLvVvFvAsTvWvScWsQvKcLv...
MVTHRQRYREKVSQMVSWGHWFALFNILLSLVIGSRYLFIADWPTTLAGRIYSYVSIIGHFSFLVFATYLLILFPLTFIVGSQRLMRFLSVILATAGMTLLLIDSEVFTRFHLHLNPIVWQLVINPDENEMARDWQLMFISVPVILLLELVFATWSWQKLRSLTRRRRFARPLAAFLFIAFIASHVVYIWADANFYRPITMQRANLPLSYPMTARRFLEKHGLLDAQEYQRRLIEQGNPDAVSVQYPLSELRYRDMGTGQNVLLITVDGLNYSRFEKQMPALAGFAEQNISFTRHMSSGNTTDNGIFGLFYGISPSYMDG...
6XLP_6_k12
0
-4.2
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6572510
P0DTD1
[C@@H1][Branch1][N][CH2][OH0][P@@][Branch1][C][OH1][=Branch1][C][=OH0][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][#Branch1][OH0][H]
O=c1ccn([C@@H]2O[C@@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1
NdMdSdLlEqNqVqAvFvNcVcVvNpKpGvHaFdDdGpQdQdGdEgVfPdVwSdIdIdNdNqTwViYwTtKdVdDpGhVdDtVdEtLdFdEgNdKqTdTpLdPrVnNsVqAqFsEqLlWvArKqRaNdIqKdPfVdPaEqVlKqIlLcNvNqLqGqVaDaIeAeAfNqTgVfIhWqDfYvKlRsDrAgPtAsHhIqSaTyIaGcVrCdSvMvTrDhIpAyKpKgPcTlEdTpIvCnAqPqLgTaVyFeFfDeGvRvVdDpGpQrVvDvLvFvRlNnAhRqNwGyVkLyIkTyEpGdSdVdKpGpLdQdPwSdVwGaPdKq...
NMSLENVAFNVVNKGHFDGQQGEVPVSIINNTVYTKVDGVDVELFENKTTLPVNVAFELWAKRNIKPVPEVKILNNLGVDIAANTVIWDYKRDAPAHISTIGVCSMTDIAKKPTETICAPLTVFFDGRVDGQVDLFRNARNGVLITEGSVKGLQPSVGPKQASLNGVTLIGEAVKTQFNYYKKVDGVVQQLPETYFTQSRNLQEFKPRSQMEIDFLELAMDEFIERYKLEGYAFEHIVYGDFSHSQLGGLHLLIGLAKRFKESPFELEDFIPMDSTVKNYFITDAQTGSSKCVCSVIDLLLDDFVEIIKSQDLSVVSKVV...
6WLC_5_k12
2
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444205
Q9I0I4
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CC(=O)N[C@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O
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5O4O_1_k12
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s47
Q6P988
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Oc1c(F)cc(F)cc1C1=CCNN1
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7B8L_3_k12
1
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s169
Q3YV47
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CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](N2CNC3=CNC4NC=CC4=C32)C1
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4E4N_1_k12
1
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s707
Q84GJ3
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COC1C=CC(CNC(=O)c2ccccc2[SeH])=CN1
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7T8H_2_k12
2
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311
Q15661
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1C5Z_1_k12
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176
P0C024
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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5QGG_2_k12
0
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5288834
P93836
[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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7X62_1_k12
0
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2608779
Q0IQJ7
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CC(C)OCc1ccc(C(=O)O)cc1
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7FN0_1_k12
2
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753
Q00749
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OCC(O)CO
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6IKI_1_k12
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753
P11309
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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8RGB_2_k12
0
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7MDF_5_k12
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P80077
[OH0][=S@@][Branch1][C][CH3][CH3]
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4EDY_3_k12
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P30405
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
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2X9V_3_k12
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8071
Q86X55
[CH2][Branch1][Ring1][OH0][CH3][CH2][OH0][CH3]
COCCOC
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5LKJ_3_k12
0
-3
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753
P31947
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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GGDLANEIARCTKLLNALNSGGDLANEIARCTKLLNALNSGGDLANEIARCTKLLNALNS
5V2O_3_k12
0
-2.5
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162884050
Q8DIF8
[C@@H1][Branch2][Ring1][=Branch1][CH2][OH0][CH0][=Branch1][C][=OH0][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3][Branch2][Ring1][Branch1][OH0][CH0][=Branch1][C][=OH0][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3][CH2][OH0][C@H1][C@H1][Branch1][Ring1][OH0][H][C@...
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4UB8_3_k12
1
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8117
Q04830
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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GMAQRSILVGQIWHEGHSFNPILTREKDFLFLRGEAVLEEARASSTALSGIVKTAEALGYRCVPSISARARPGGAIEQKVFDNIVDEFVQAARMQDFDAICLDLHGATLAEHTLDTEGYLLSRLREVVGNDIMISLALDLHAYLTPQMVEQATIITSFRTTPHADIEETGVRAMTLLDSLSNETRPPRAIYSLIPFLTRGNDETWSGPLAEIGAAADRWRARSDVVDLSIFNVHPFLDVPGYGQVVLAYDNGSGAAIDACRDLSDMLWKARDEFQEQLMSVDKALEIARTSRQLLALGDQGDRVMGAGPGDSPEIARVAL...
3IUU_2_k12
0
-3.7
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s698
P01920
[CH2][Branch1][S][CH2][C@H1][Branch1][=Branch1][NH0][Branch1][C][H][H][CH0][=Branch1][C][=OH0][OH0][H][CH2][NH0][Branch1][C][H][C@@H1][Branch1][Ring1][OH0][H][NH0][Branch1][C][H][H]
N[C@H](O)NCCC[C@H](N)C(=O)O
SdVlFdDdSpKpFqKqGaIfHaVdYqSaEqIfGfEfLfEaSeVwLeVfHaEqPqGaRlEqIlDvYpIdTdPpAvRcLcDvEvLlLqFfSlAdIrLfEpSnHvDvAqRnKvEqHvKvQvFvVvAvEvLcKvAvNsDnIhNsVyVgEhLlIlDvLlVlAqEvTlYlDvLqAfSdQvEvAlKvDvKvLlIlEvEvFlLqEpDlSfEpPpVnLaSdEvEvHvKsVvVlVvRsNvFlLlKvApKdKpTgSsRsEvLnVsErIdMsMqAnGfIaTfKcYvDsLsGvIhEdAdDpHdEgLtInVgDhPhMlPrNlLrYrFlTvRqDw...
SVFDSKFKGIHVYSEIGELESVLVHEPGREIDYITPARLDELLFSAILESHDARKEHKQFVAELKANDINVVELIDLVAETYDLASQEAKDKLIEEFLEDSEPVLSEEHKVVVRNFLKAKKTSRELVEIMMAGITKYDLGIEADHELIVDPMPNLYFTRDPFASVGNGVTIHYMRYKVRQRETLFSRFVFSNHPKLINTPWYYDPSLKLSIEGGDVFIYNNDTLVVGVSERTDLQTVTLLAKNIVANKECEFKRIVAINVPKWTNLMHLDTWLTMLDKDKFLYSPIANDVFKFWDYDLVNGGAEPQPVENGLPLEGLLQS...
1LXY_2_k12
0
-3.5
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s698
P10538
[P@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][Branch2][Branch1][N][OH0][P@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][OH0][CH2][C@@H1][C@@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch2][Ring1][=C][NH0][CH1][NH0][Branch1][C][H][CH2][NH0][Branch1][C][H][CH0][Branch1][=Branch1][NH0][Branch1][C...
Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@H]1O[C@@H](N3CNC4=C(N)NCNC43)[C@H](O)[C@@H]1O)C1=C(N2)[C@@H](O)N[C@H](O)N1
AdPdAfPfFlApDfFaAaPdPdVpRdPdQqSdTpLlRnRvAlIlTlAvAqYqRfRpPaElTlEvClLqPpPlLlVlEvAlAlTdQdSdKpEvIlRlDvAqAlAlSvTqAlRlKvLlIlEcAlLlRvGvKpSdGlVlEvGvLlVcQvEvYlSvLaSdSlQlElGsVlAlLlMlClLlAlEvAvLlLvRvIpPpDdTpAvTvRsDvAvLcIqRvDpKpIlAlDvGaNdWpKvSvHvLhRvSqLsFcVlNlAsAqTvWvGsLcVvVrTpGlKfLgTfSlTfVdNaDsRvSsLsAvAvAsLsTrRvLsIsSvRvCpGgEsPvVs...
APAPFADFAPPVRPQSTLRRAITAAYRRPETECLPPLVEAATQSKEIRDAAASTARKLIEALRGKSGVEGLVQEYSLSSQEGVALMCLAEALLRIPDTATRDALIRDKIADGNWKSHLRSLFVNAATWGLVVTGKLTSTVNDRSLAAALTRLISRCGEPVIRRGVDMAMRMMGEQFVTGETIREALKRSKELEEKGFSYSYDMLGEAATTAADAERYYRDYESAIHAIGKASAGRGIYEGPGISIKLSALHPRYSRAQAARVMGELLPRVKALALLAKNYDIGLNIDAEEADRLELSLDLLEVLCLDGDLSGWNGMGFVV...
6X9B_1_k12
1
-14.1
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176
P01391
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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MIRCFITPDITSKDCPNGHVCYTKTWCDAFCSIRGKRVDLGCAATCPTVKTGVDIQCCSTDNCNPFPT
7ULG_1_k12
0
-2.3
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5413
P14350
[N@+1][Branch1][Ring1][CH2][CH3][Branch1][Ring1][CH2][CH3][Branch1][Ring1][CH2][CH3][CH2][CH3]
CC[N+](CC)(CC)CC
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MPKRTDIKSILILGAGPIVIGQACEFDYSGAQACKALREEGYRVILVNSNPATIMTDPEMADATYIEPIHWEVVRKIIEKERPDAVLPTMGGQTALNCALELERQGVLEEFGVTMIGATADAIDKAEDRRRFDVAMKKIGLETARSGIAHTMEEALAVAADVGFPCIIRPSFTMGGSGGGIAYNREEFEEICARGLDLSPTKELLIDESLIGWKEYEMEVVRDKNDNCIIVCSIENFDAMGIHTGDSITVAPAQTLTDKEYQIMRNASMAVLREIGVETGGSNVQFAVNPKNGRLIVIEMNPRVSRSSALASKATGFPIA...
1KEE_1_k12
0
-3.5
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146027046
Q8N6T7
[CH1][=CH1][CH0][Branch1][#Branch2][S@@][=Branch1][C][=OH0][=Branch1][C][=OH0][CH2][CH3][=CH1][CH0][Branch2][Ring1][P][CH0][=CH1][NH0][Branch1][C][CH3][CH0][=Branch1][C][=OH0][CH0][=CH0][Ring1][Branch2][CH1][=CH0][Branch1][O][CH0][Branch1][#Branch1][NH0][Branch1][C][H][CH2][CH3][=OH0][NH0][Ring1][O][H][=CH0][Ring2][Rin...
CCNC(=O)c1cc2c(-c3cc(S(=O)(=O)CC)ccc3Oc3c(C)cccc3C)cn(C)c(=O)c2[nH]1
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SHMEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMP
6VIY_1_k12
1
-9.2
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72199863
P53779
[CH1][=CH1][CH0][Branch2][Ring2][Ring2][NH0][NH0][Branch1][C][H][CH2][C@@H1][Branch2][Ring1][=Branch1][NH0][Branch1][C][H][C@@H1][Branch1][Ring1][OH0][H][NH0][Branch1][C][H][CH0][=CH1][CH1][=CH1][CH1][=CH1][Ring1][=Branch1][CH2][Ring2][Ring1][Ring1][=CH1][CH0][Branch2][Ring1][=N][CH0][=Branch1][C][=OH0][NH0][Branch1][C...
COc1cc(NC(=O)c2cccc(N3C[C@H](N[C@@H](O)Nc4ccccc4)CN3)c2)cc(OC)c1OC
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DNQFYSVEVGDSTFTVLKRYQNLKPIGIVCAAYDAVLDRNVAIKKLSRPFQNQTHAKRAYRELVLMKVNHKNIISLLNVFTPQKTLEEFQDVYLVMELMDANLCQVIQMELDHERMSYLLYQMLCGIKHLHSAGIIHRDLKPSNIVVKSDTLKILDFGLARVTRYYRAPEVILGMGYKENVDIWSVGCIMGEMVRHKILFPGRDYIDQWNKVIEQLGTPCPEFMKKLQPTVRNYVENRPKYAGLTFPKLFPDSLFPADSEHNKLKASQARDLLSKMLVIDPAKRISVDDALQHPYINVWYDEREHTIEEWKELIYKEVMN
3FI2_2_k12
1
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8117
P42556
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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3IE5_4_k12
0
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2374
P04191
[CH0][Branch1][Ring1][OH0][H][=CH1][CH0][Branch1][=Branch2][C@@][Branch1][C][CH3][Branch1][C][CH3][CH3][=CH0][Branch1][Ring1][OH0][H][CH1][=CH0][Ring1][=C][C@@][Branch1][C][CH3][Branch1][C][CH3][CH3]
CC(C)(C)c1cc(O)c(C(C)(C)C)cc1O
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2AGV_2_k12
1
-7.1
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2093
Q9LTR9
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CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C
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6RF7_1_k12
1
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446996
Q498M4
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OC[C@H]1OC[C@H](O)[C@@H](O)[C@H]1O
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1GWV_1_k12
2
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s574
P18946
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6B5J_1_k12
1
-9.5
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679
Q6P988
[OH0][=S@][Branch1][C][CH3][CH3]
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6TR5_2_k12
0
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753
P00929
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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7ZS1_1_k12
0
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s619
P91938
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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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4Y9D_1_k12
1
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s345
P29274
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7PWN_1_k12
2
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s193
P29016
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COC(C)(C)C(=O)CC=C(C)CCC=C(C)CCC=C(C)CCCCC(C)=CCC[C@H](C)CCC=C(C)CCC=C(C)C
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7Q7N_3_k12
1
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753
Q57556
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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7PD7_1_k12
0
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s634
P52895
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4JQ1_4_k12
1
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s733
P32951
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CNC(=O)[C@@H](CC[S@@](C)=O)NC(C)=O
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3HCH_3_k12
0
-3.8
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71774569
P06820
[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][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][OH0][Ring2][Ring1][C]
O=C(O)[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1O
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HHHHHHMETVLRGASMFDEEHAFTKTLRKFEELVDEKYDGDVTFDLRLNGELGVESDYVTFLNQGVAIDYTILAPSNMAKFAPSIPLMDMPFLFRDLDHWNAVLSSDVLAPLEDELLEKADIKIVGYTGGGTRNLLSKQPVVTFDDLKGHKMRVMGAPIQAQIFQALTAAPSAIAYNEVYNAIQTGVIAGFENEAASIQNLKFYEVAPNLTLTRHSITVRPIVMSGKTFNSLPADLQAVVLEAGEEAGAYGRELESREDGVKLQEMVDAGQLTVSEFENRDKMLEMVKPVQDAYAAEIGASDLLEAVR
4NX1_1_k12
1
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8117
Q9NJU9
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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3K21_2_k12
0
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s727
P12565
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5OJ7_1_k12
1
-12.4
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1567
P02945
[CH2][Branch1][Ring1][OH0][H][CH2][SH0][H]
OCCS
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4D33_3_k12
0
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s659
O29329
[NH0][Branch1][C][H][CH1][Branch1][C][CH3][CH0][Branch1][Ring1][OH0][H][=CH0][Branch2][Ring1][C][CH2][NH0][Branch1][C][H][NH0][Branch1][C][H][CH0][=CH1][CH1][=CH1][CH1][=CH1][Ring1][=Branch1][CH0][Branch1][O][CH2][OH0][P@@][Branch1][C][OH1][Branch1][C][OH1][=OH0][=CH1][Ring2][Ring1][O]
CC1NC=C(COP(=O)(O)O)C(CNNc2ccccc2)=C1O
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8RAI_1_k12
1
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s1048
P9WNM5
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4BBV_1_k12
2
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s699
P33334
[NH0][Branch2][Ring1][#Branch1][CH0][=Branch1][C][=OH0][C@@][Branch1][N][CH0][=CH1][CH1][=CH0][Branch1][C][ClH0][CH1][=CH1][Ring1][#Branch1][CH2][CH2][Ring1][#Branch2][C@H1][Branch2][Ring1][#Branch1][CH0][Branch2][Ring1][C][NH0][Branch1][C][H][C@@][Branch1][#Branch1][CH2][NH0][Branch1][C][H][H][CH2][CH2][Ring1][#Branch...
NCC1(NC(=O)[C@@H]2C[C@@H](S(=O)(=O)c3ccccc3Cl)CN2C(=O)C2(c3ccc(Cl)cc3)CC2)CC1
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APRSVDWREKGYVTPVKNQGQCGSCWAFSATGALEGQMFRKTGRLISLSEQNLVDCSGPQGNEGCNGGLMDYAFQYVQDNGGLDSEESYPYEATEESCKYNPKYSVANDTGFVDIPKQEKALMKAVATVGPISVAIDAGHESFLFYKEGIYFEPDCSSEDMDHGVLVVGYGFESTSDNNKYWLVKNSWGEEWGMGGYVKMAKDRRNHCGIASAASYPTV
2YJC_1_k12
1
-7.6
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8200
D3JV03
[OH0][Branch1][Branch2][CH2][CH2][OH0][CH2][CH2][OH0][H][CH2][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCOCCO
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MLPITAADDVQGLLLQLRGLLEQAISALASRCTKGRQLDAELLDLMQVPTFELAWASAELLAAERSLQAIDAGTSSVDRRLILVFAVEAITLVHSRLEAIYAELDLADGTLHAIAADQKLRALRRSVLSSTALHDSARLMVERPEQIGQVAMGDELSMIEDQFRRFAADTVAPLAEHIHREDLIIPDSLLAALRDMGVFGLSIPERYGGSAPDDQEDPLTMIVVTEALSQASLAAAGSLITRPEILSRALLSGGTESQKQHWLARLAVGDPLCAIAITEPDYGSDVAGLTLRGTPCEGGWRLNGAKTWCTFAGKAGVLMV...
8CIW_1_k12
0
-3.9
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5288845
P02699
[CH3][C@][Branch1][C][CH3][Branch1][Ring1][OH0][H][CH2][C@@H1][Branch1][C][CH3][OH0][H]
C[C@@H](O)CC(C)(C)O
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GPSFPEPKVVRSQGGLLSLKLSATPTPLAIAGQRATLLTYGGSFPGPTLRVRPRDTVRLTLENRLPEPTNLHWHGLPISPKVDDPFLEIPPGESWTYEFTVPKELAGTFWYHPHLHGRVAPQLFAGLLGALVVESSLDAIPELREAEEHLLVLKDLALQGGRPAPHTPMDWMNGKEGDLVLVNGALRPTLVAQKATLRLRLLNASNARYYRLALQDHPLYLIAADGGFLEEPLEVSELLLAPGERAEVLVRLRKEGRFLLQALPYDRGAMGMMDMGGMAHAMPQGPSRPETLLYLIAPKNPKPLPLPKALSPFPTLPAPV...
2YAE_2_k12
0
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6MM7_4_k12
0
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6255
P33517
[OH0][Branch2][Ring1][Branch2][C@H1][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][OH0][C@@H1][Ring1][N][CH2][OH0][H][C@H1][OH0][C@H1][Branch1][Ring2][CH2][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@H1][Ring1][=N][OH0][H]
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3OMN_2_k12
0
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445395
P0AD64
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RLICINDYEQHAKSVLPKSIYDYYRSGANDEETLADNIAAFSRWKLYPRMLRNVAETDLSTSVLGQRVSMPICVGATAMQRMAHVDGELATVRACQSLGTGMMLSSWATSSIEEVAEAGPEALRWLQLYIYKDREVTKKLVRQAEKMGYKAIFVTVDTPYLGNRLDDVRNRFKLGLAAYVAKAIDPSISWEDIKWLRRLTSLPIVAKGILRGDDAREAVKHGLNGILVSNHGARQLDGVPATIDVLPEIVEAVEGKVEVFLDGGVRKGTDVLKALALGAKAVFVGRPIVWGLAFQGEKGVQDVLEILKEEFRLAMALSGC...
2W0U_1_k12
1
-11.4
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753
Q8C9A2
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3FZW_1_k12
0
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679
P07700
[OH0][=S@][Branch1][C][CH3][CH3]
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7JOB_1_k12
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5288834
P27338
[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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3ASJ_1_k12
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s680
Q5RBU9
[OH0][Branch2][=Branch1][Ring2][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][Branch2][Ring1][=C][NH0][CH1][NH0][Branch1][C][H][CH2][NH0][Branch1][C][H][CH0][Branch1][=Branch1][NH0][Br...
NC1=C2NCN([C@@H]3O[C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4O[C@@H](N5CNC6=C(N)NCNC65)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)C2NCN1
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IVDRAKMEDTLKRRFFYDQAFAIYGGVSGLYDFGPVGCALKNNIIQTWRQHFIQEEQILEIDCTMLTPEPVLKTSGHVDKFADFMVKDVKNGECFRADHLLKAHLQKLMSDKKCSVEKKSEMESVLAQLDNYGQQELADLFVNYNVKSPITGNDLSPPVSFNLMFKTFIGPGGNMPGYLRPETAQGIFLNFKRLLEFNQGKLPFAAAQIGNSFRNEISPRSGLIRVREFTMAEIEHFVDPSEKDHPKFQNVADLHLYLYSAKAQVSGQSARKMRLGDAVEQGVINNTVLGYFIGRIYLYLTKVGISPDKLRFRQHMENEM...
2ZXF_1_k12
1
-10.3
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92209620
960106
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Cc1cn([C@H]2C[C@H](OP(=O)(O)O)[C@H](COP(=O)(O)O)O2)c(=O)[nH]c1=O
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LHKEPATLIKAIDGDTVKLMYKGQPMTFRLLLVDTPEFNEKYGPEASAFTKKMVENAKKIEVEFDKGQRTDKYGRGLAYKYADGKMVNEALVRQGLAKVAYVYKGNNTHEQLLRKAEAQAKKEKLNIWS
5E3F_1_k12
1
-7.5
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[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
s218
Q56232
[NH0][Branch1][C][H][CH1][Branch1][C][CH3][CH0][Branch1][Ring1][OH0][H][=CH0][Branch1][#Branch1][CH2][NH0][Branch1][C][H][H][CH0][Branch1][N][CH2][OH0][P@][=Branch1][C][=OH0][Branch1][C][OH1][OH0][H][=CH1][Ring2][Ring1][Branch1]
CC1NC=C(COP(=O)(O)O)C(CN)=C1O
MdRdGdLdSdRpRlVvQvAvMfKdPdSdAqTlVvAvVlNvAvKvAlLvEvLvRvRvQvGvVfDfLfVqAeLqTsAdGqEaPfDpFdDaTfPfEvHlVlKvEvAlAlRvRvAcLvAvQvGvKlTfKdYfAaPaPlAqGgIhPlElLlRlEqAlLvAcEvKcFcRcRvEpNaGvLaSnVdThPsElEqTkIgVkTfVqGaGlKvQlAvLvFlNlLlFlQlAlIqLdDdPaGaDaEeVeIeVeLeSpPlYaWrVlSpYpPcEsMsVnRvFsAsGrGyVhVyVdEyVqEyTaLdPvEvEnGlFsVaPdDdPlEvRsVvRlRvAr...
MRGLSRRVQAMKPSATVAVNAKALELRRQGVDLVALTAGEPDFDTPEHVKEAARRALAQGKTKYAPPAGIPELREALAEKFRRENGLSVTPEETIVTVGGKQALFNLFQAILDPGDEVIVLSPYWVSYPEMVRFAGGVVVEVETLPEEGFVPDPERVRRAITPRTKALVVNSPNNPTGAVYPKEVLEALARLAVEHDFYLVSDEIYEHLLYEGEHFSPGRVAPEHTLTVNGAAKAFAMTGWRIGYACGPKEVIKAMASVSSQSTTSPDTIAQWATLEALTNQEASRAFVEMAREAYRRRRDLLLEGLTALGLKAVRPSGA...
1BKG_1_k12
1
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439352
Q8I5R7
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Q38946
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753
P22756
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
MdNdPqSlTlTlQlAlRlVlVlVvDlElLvIlRlGlGfVeRaDeVeVeLeCePdGdSqRlNcAlPsLnAvFvAnLvQvDvAcDcRvSvGnRsIhRaLyHaVyRdIhDqElRlTlAsGlYlLlAqIqGlLlAcIqGlAaGpAtPaVyCeVyAeMyTeSaGaTcAsVlAvNsLnGqPvAsVqVlElAqNqYqAlRqVtPlLyIeVyLeSyAeNaRaPaYpEvLcLvGpTvGpAdNpQrThMdEdQrLqGcYpFnGpTpQsVaRlAeSrIdSeLlGhLeAgEdDpAdPvEvRcTlSqAvLsNsAlTsWsRlSvAsTsCvRvVs...
MNPSTTQARVVVDELIRGGVRDVVLCPGSRNAPLAFALQDADRSGRIRLHVRIDERTAGYLAIGLAIGAGAPVCVAMTSGTAVANLGPAVVEANYARVPLIVLSANRPYELLGTGANQTMEQLGYFGTQVRASISLGLAEDAPERTSALNATWRSATCRVLAAATGARTANAGPVHFDIPLREPLVPDPVTPPGRPAGKPWTYTPPVTFDQPLDIDLSVDTVVISGHGAGVHPNLAALPTVAEPTAPRSGDNPLHPLALPLLRPQQVIMLGRPTLHRPVSVLLADAEVPVFALTTGPRWPDVSGNSQATGTRAVTTGAPR...
5ESO_3_k12
0
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753
P31356
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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6FAA_2_k12
0
-3.3
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s529
Q8KAS1
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NC1C=CN([C@@H]2C[C@H](OP(=O)(O)O)[C@@H](CO)O2)C(=O)N1
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3FL0_1_k12
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s45
P0DTC1
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O=C(O)[C@@]1(F)CN(C2NCNc3[nH]c4cc(Br)ccc4c32)CC12CCC2
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5SRO_2_k12
1
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174
F0M433
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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3H1M_1_k12
0
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s208
Q8CDM1
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1OWB_1_k12
1
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s27
Q9BPX1
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5EN4_2_k12
1
-12
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