Datasets:
GENTEL-Lab
/
AlphaEnzyme-data

Dataset card Data Studio Files
xet
 Community
1
id
int64
RHEA_ID
int64
DIRECTION
string
MASTER_ID
int64
UniprotID
string
SMILES
string
EC number
string
CANO_RXN_SMILES
string
sequence
string
Label
int64
15,298
79,063
UN
79,063
P59288
CCC1=C(C)C(CC2=C(C)C(CCC(=O)[O-])=C(CC3=C(CCC(=O)[O-])C(C)=C(CC4NC(=O)C(C)=C4CC)N3)N2)NC1=O.*.*>>CCC1=C(C)/C(=C/C2=C(C)C(CCC(=O)[O-])=C(CC3=C(CCC(=O)[O-])C(C)=C(/C=C4\NC(=O)C(C)=C4CC)N3)N2)NC1=O.[H]*[H].[H]*[H]
null
CCC1=C(C)C(Cc2[nH]c(Cc3[nH]c(CC4NC(=O)C(C)=C4CC)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O>>CCC1=C(C)/C(=C/c2[nH]c(Cc3[nH]c(/C=C4\NC(=O)C(C)=C4CC)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O
MSLRQHQHPLIQRLADRIEAIWQAFFPLAPYALPEDLGYVEGKLEGERLTIENHCYQAPPFRKLHLELARVGESLDILHCVMFPEPRYDLPMFGCDLVGGRGQISAAIVDLSPVTGQLPAAYTCALNALPKLTFRQPRELPPWGHIFSPFCIFIRPQGEAEEQQFLDRIGEYLTLHCQLSQQAVPTDHPQAVIAGQRQYCQQQQQNDKTRRVLEKAFGVPWAERYMTTVLFDVPPV
0
15,300
80,875
UN
80,875
Q4WLD2
CC1=CC(O)=C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC[C@@H]2OC2(C)C)C(=O)O1>>[H][C@@]1(CC/C(C)=C/CC/C(C)=C/CC2=C(O)C=C(C)OC2=O)C(=C)CC[C@H](O)C1(C)C
null
C/C(=C\CC/C(C)=C/Cc1c(O)cc(C)oc1=O)CC/C=C(\C)CC[C@@H]1OC1(C)C>>C=C1CC[C@H](O)C(C)(C)[C@@H]1CC/C(C)=C/CC/C(C)=C/Cc1c(O)cc(C)oc1=O
MDGWSDLSSAPPQYREVAGIADWALLAQGLGWSINYLAMIYHSYKDRTYGMAILPLCCNFAWEFVYSVIYPSHNSAERAVLTTWMILNLFVMYTAIKFAPNEWQHAPLVRQCLPWIFPVAIAAFTAGHLALAATVGVSKAANWGAFLCFELLTSGAVCQLMSRGSSRGASYTIWLSRFLGSYIGGIFLHVRETHWPQEFGWISHPFVTWHGLMCFSLDIAYVTFLWRIRRQEHRSQRKKAL
0
15,301
76,387
UN
76,387
Q2YA75
[NH3+][C@@H](CCCCNO)C(=O)[O-].[NH3+][C@@H](CCC(=O)[O-])C(=O)[O-].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O>>[NH3+][C@@H](CCCCNN[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O.O=P([O-])([O-])OP(=O)([O-])O.[H+].[H+]
null
N[C@@H](CCC(=O)O)C(=O)O.N[C@@H](CCCCNO)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>N[C@@H](CCCCNN[C@@H](CCC(=O)O)C(=O)O)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O
MNVAQIKKVVLAFSGGLDTSVILKWLQDTYRCEVVTFTADIGQGEEVEPARAKAKQLGVREIFIDDLREEFVRDFVFPMFRANTLYEGEYLLGTSIARPLIAKRQIEIARETGADAVSHGATGKGNDQVRFELGYYALQPDIRVIAPWREWDLTSREKLLKYAEQHGIPVEMKKKEGSPYSMDANLLHISYEGRILEDPAQEPEESMWRWSVSPEKAPDSPEYLDLEFRQGDIVALDGEELSPARLLARLNELGGKHGIGRLDLVENRYVGMKSRGCYETPGGTIMLRAHRAMESITLDREVAHLKDELMPRYAELIYNG...
0
15,302
74,843
UN
74,843
Q99999
[1*][C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@]5(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@]([H])([C@H](O)[C@H](O)CO)O5)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC([2*])=O.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OS(=...
null
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O)[C@@H](OP(=O)(O)O)[C@H]1O.[1*][C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@]5(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O...
MLPPQKKPWESMAKGLVLGALFTSFLLLVYSYAVPPLHAGLASTTPEAAASCSPPALEPEAVIRANGSAGECQPRRNIVFLKTHKTASSTLLNILFRFGQKHRLKFAFPNGRNDFDYPTFFARSLVQDYRPGACFNIICNHMRFHYDEVRGLVPTNAIFITVLRDPARLFESSFHYFGPVVPLTWKLSAGDKLTEFLQDPDRYYDPNGFNAHYLRNLLFFDLGYDNSLDPSSPQVQEHILEVERRFHLVLLQEYFDESLVLLKDLLCWELEDVLYFKLNARRDSPVPRLSGELYGRATAWNMLDSHLYRHFNASFWRKVE...
0
15,303
78,091
UN
78,091
Q9KMY3
C=CC1=C(C)/C2=C/C3=C(C=C)C(C)=C4/C=C5/C(C)=C(CCC(=O)[O-])C6=[N+]5[Fe-2]5(N43)N3C(=C6)C(CCC(=O)[O-])=C(C)/C3=C/C1=[N+]25.[N]=O.O=O>>C=CC1=C(C)/C2=C/C3=C(C=C)C(C)=C4/C=C5/C(C)=C(CCC(=O)[O-])C6=[N+]5[Fe-]5(N43)N3C(=C6)C(CCC(=O)[O-])=C(C)/C3=C/C1=[N+]25.O=[N+]([O-])[O-]
null
C=CC1=C(C)C2=Cc3c(C=C)c(C)c4n3[Fe-2]35n6c(c(C)c(CCC(=O)O)c6=CC6=[N+]3C(=C4)C(C)=C6CCC(=O)O)=CC1=[N+]25.O=O.[N]=O>>C=CC1=C(C)C2=Cc3c(C=C)c(C)c4n3[Fe-]35n6c(c(C)c(CCC(=O)O)c6=CC6=[N+]3C(=C4)C(C)=C6CCC(=O)O)=CC1=[N+]25.O=[N+]([O-])[O-]
MLTQEHINIIKSTIPLLESAGPALTQHFYQRMFSHNPELKHIFNMTHQKTGRQSVALFEAIAAYAKHIDNLAALTSAVERIAHKHTSFNIQPEHYQIVGHHLLETLRELAPDAFTQPVEEAWTAAYFFLAQVFIDREGALYLERKQALGGWRDGRTFVVREKQVESAYVTSFVLVPADGGAVLDYQPGQYIGIEVTPEGSDYREIRQYSLSHASNGREYRISVKREGVGSDNPGLVSHYLHNNVKVGDSVKLYAPAGDFFYVERERPVVLISAGVGATPMQAILHTLAKQNKSGVTYLYACNSAKEHTFAQETAQLIAQQ...
0
15,304
65,768
UN
65,768
Q4G0S4
*C1=C(*)C=C(NC(=O)N(C)C)C=C1.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.O=O.[H+].[H+]>>*C1=C(*)C=C(NC(=O)NC)C=C1.[H]C([H])=O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H]
1.14.15.38
*c1ccc(NC(=O)N(C)C)cc1*.O=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1>>*c1ccc(NC(=O)NC)cc1*.C=O.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1
MQTSAMALLARILRAGLRPAPERGGLLGGGAPRRPQPAGARLPAGARAEDKGAGRPGSPPGGGRAEGPRSLAAMPGPRTLANLAEFFCRDGFSRIHEIQQKHTREYGKIFKSHFGPQFVVSIADRDMVAQVLRAEGAAPQRANMESWREYRDLRGRATGLISAEGEQWLKMRSVLRQRILKPKDVAIYSGEVNQVIADLIKRIYLLRSQAEDGETVTNVNDLFFKYSMEGVATILYESRLGCLENSIPQLTVEYIEALELMFSMFKTSMYAGAIPRWLRPFIPKPWREFCRSWDGLFKFSQIHVDNKLRDIQYQMDRGRR...
0
15,305
77,079
UN
77,079
Q8Z3L9
C[NH+](C)CCCCC[NH3+].CC1CCC2C3(C)[CH+]C4CC12CCC4(C)O3>>CC1CCC2C13CCC1(C)OC2(C)C([NH2+]CCCCC[NH+](C)C)C1C3.[H+]
null
CC1CCC2C3(C)CC4CC12CCC4(C)O3.CN(C)CCCCCN>>CC1CCC2C13CCC1(C)OC2(C)C(NCCCCCN(C)C)C1C3
MNRLPSSASALACSAHALNLIEKRTLNHEEMKALNREVIDYFKEHVNPGFLEYRKSVTAGGDYGAVEWQAGSLNTLVDTQGQEFIDCLGGFGIFNVGHRNPVVVSAVQNQLAKQPLHSQELLDPLRAMLAKTLAALTPGKLKYSFFCNSGTESVEAALKLAKAYQSPRGKFTFIATSGAFHGKSLGALSATAKSTFRRPFMPLLPGFRHVPFGNIDAMSMAFSEGKKTGDEIAAVILEPIQGEGGVILPPQGYLTEVRKLCDEFGALMILDEVQTGMGRTGKMFACEHENVQPDILCLAKALGGGVMPIGATIATEEVFS...
0
15,306
65,808
UN
65,808
Q29527
*N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCC)C(*)=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.O=O.O=O.[H+].[H+].[H+].[H+]>>*N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC#C)C(*)=O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H].[H]O[H]....
1.14.19.78
*N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCC)C(*)=O.O=O.O=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1>>*N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC#C)C(*)=O.O.O.O.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1
MALRAKAEVCMAAPWLSLQRARALGTRATRVPRTVLPFEAMPRRPGNRWLRLLQIWREQGYEHLHLEVHQTFQELGPIFRYDLGGAGMVCVMLPEDVEKLQQVDSLNPRRMSLEPWVAYRQHRGHKCGVFLLNGPEWRFNRLRLNPDVLSPKAVQRFLPMVDAVARDFSQALRKKVVQNARESVTLDIQPSIFHYTIEASNLALFGERLGLVGHSPSSASLSFLHALEVMFKSTVQLMFMPRSLSRWTSPKVWKEHFEAWDCIFQYGDNCIQKIYQELALSRPQQYTSIVAELLLNAELSPDAIKANSMELTAGSVDTTV...
0
15,307
79,063
UN
79,063
B1X018
CCC1=C(C)C(CC2=C(C)C(CCC(=O)[O-])=C(CC3=C(CCC(=O)[O-])C(C)=C(CC4NC(=O)C(C)=C4CC)N3)N2)NC1=O.*.*>>CCC1=C(C)/C(=C/C2=C(C)C(CCC(=O)[O-])=C(CC3=C(CCC(=O)[O-])C(C)=C(/C=C4\NC(=O)C(C)=C4CC)N3)N2)NC1=O.[H]*[H].[H]*[H]
null
CCC1=C(C)C(Cc2[nH]c(Cc3[nH]c(CC4NC(=O)C(C)=C4CC)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O>>CCC1=C(C)/C(=C/c2[nH]c(Cc3[nH]c(/C=C4\NC(=O)C(C)=C4CC)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O
MTTVKTSPTTLPLHPLIHQLAEVIISHWQDYLDLSPYELPDGLGYVEGKLEGEKLVIENRCYQSPQFRKMHLELAKVGQGLDILHCVMFPNPDYALPMFGCDIVAGKGGVSAAIADLSPANPELTLSNSYNQALSQLETPNFSDQRELPEWGDIFSEYCLFIRPHTPEEEKLFLKRVGDFLKVHCQQANQSQPGSTQQREFNIQGQEYYCRKQQQNDKTRRVLEKAFGEAWANKYMTQVLFDIPNH
0
15,308
79,847
UN
79,847
C6DK25
*P(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OC(=O)[C@@H](N)CC1=CC=C(O)C=C1.*P(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+]>>NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@H](CC2=CC=C(O)C=C2)NC1=O.*P(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O.*P(=O)...
null
*P(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OC(=O)[C@@H](N)CCCNC(=N)N.*P(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OC(=O)[C@@H](N)Cc1ccc(O)cc1>>*P(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.*P(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2c...
MASSNLIKQLQERGLIAQVTDEGALAERLAQGPIALYCGFDPTADSLHLGHLVPLLCLKRFQLAGHKPVALVGGATGLIGDPSFKATERKLNTADTVGEWVEKIRRQVSPFLDFDCGKNSAIAANNYDWFGGMNVLDFLRDIGKHFSVNQMINKEAVKQRLNRDDVGISFTEFSYNLLQGYDFASLNKQHDVELQIGGSDQWGNITSGIDLTRRMNQKQVYGLTVPLITKSDGTKFGKTEGGAIWLDASKTSPYKFYQFWINTADADVYRFLKFFTFMSLEDIDALEEEDKNSGKAPRAQYVLAEEVTRMVHGEAGLEAA...
0
15,309
82,179
UN
82,179
G5EC84
CCCCCCCCCC1=CC(OC(=O)C2=C(CCCCCCCCC)C=C(O)C=C2O)=CC(O)=C1C(=O)[O-].O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C(=O)N1>>CCCCCCCCCC1=CC(OC(=O)C2=C(CCCCCCCCC)C=C(O)C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC(O)=C1C(=O)[O-].O=C1C=CN([C@@H]2O[C@H](COP(=O...
null
CCCCCCCCCc1cc(OC(=O)c2c(O)cc(O)cc2CCCCCCCCC)cc(O)c1C(=O)O.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1>>CCCCCCCCCc1cc(OC(=O)c2c(CCCCCCCCC)cc(O)cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c1C(=O)O.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O...
MGDKITGLEVEIIPEISEVQPESLQEQNASSLYYPLFSQYIPLLLTGTKKILEDIDYCTCFAVFGVVFVSALYFLHIVGLCYGKYRLHRPTKPNPSLPGVSIIKPIIGADANLYTNLETFFTTQYHKFELLFCFDRSDDPAVKVVESLVKKYPSVDSTMFFGGEKIGLNPKINNMMPAYRIAKYQLIMISDSGIFMKSDAVLDMASTMMSHETMALVTQTPYCKDRKGFASVFEQIYFGTSHARIYLAGNCLQFNCPTGMSSMMKKEALDECGGFAAFSGYLAEDYFFGKKLASRGYKSGISTHPALQNSAAVTMTSFTD...
0
15,310
82,567
UN
82,567
O95870
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](O)COP(=O)([O-])OC[C@H](O)CO.CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)CO>>CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](O)COP(=O)([O-])OC[C@@H](O)COC(=O)CCCCCCC/C=C\CCCCCCCC.OCC(O)CO
null
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)CO.CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](O)COP(=O)(O)OC[C@H](O)CO>>CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](O)COP(=O)(O)OC[C@@H](O)COC(=O)CCCCCCC/C=C\CCCCCCCC.OCC(O)CO
MAKLLSCVLGPRLYKIYRERDSERAPASVPETPTAVTAPHSSSWDTYYQPRALEKHADSILALASVFWSISYYSSPFAFFYLYRKGYLSLSKVVPFSHYAGTLLLLLAGVACLRGIGRWTNPQYRQFITILEATHRNQSSENKRQLANYNFDFRSWPVDFHWEEPSSRKESRGGPSRRGVALLRPEPLHRGTADTLLNRVKKLPCQITSYLVAHTLGRRMLYPGSVYLLQKALMPVLLQGQARLVEECNGRRAKLLACDGNEIDTMFVDRRGTAEPQGQKLVICCEGNAGFYEVGCVSTPLEAGYSVLGWNHPGFAGSTG...
0
15,311
77,967
UN
77,967
A4IJY4
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]>>[H][C@@]12/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC[C@@]1([H])C2(C)C.O=P([O-])([O-])OP(=O)([O-])O
4.2.3.221
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>C/C1=C\CC/C(C)=C/CC/C(C)=C/[C@@H]2[C@@H](CC/C(C)=C/CC/C(C)=C/CC1)C2(C)C.O=P(O)(O)OP(=O)(O)O
MEEIRAWRHVFKLDPNKPIDDERLERLCESGTDAVIVGGTDGVTLDGVLDLLARIRRFSVPCALEVTDIEALTPGFDAYLIPMVLNSCRVDWVIGRHHEAVKQYGDVMNWDEIFAEGYCILNGECKAAKLTEANTALDDDDVVAYARLAEHLYKLPIFYLEYSGTYGNPSLVEKVKRALSRTQLVYGGGIMTPEQAAEMARYADTVVVGNAVYDSFESALATVEAVKRIDGENEISGVK
0
15,312
80,647
UN
80,647
P09141
*CS(=O)(=O)[O-].[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[H]O[H]>>[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41.*C([H])=O.O=S([O-])[O-].[H+].[H+].[H+]
null
*CS(=O)(=O)O.O.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41>>*C=O.O=S(O)O.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41
MNFGLFFLNFQLKGMTSEAVLDNMIDTIALVDKDEYHFKTAFVNEHHFSKNGIVGAPMTAASFLLGLTERLHIGSLNQVITTHHPVRIAEEASLLDQMSDGRFILGLSDCVSDFEMDFFKRQRDSQQQQFEACYEILNDGITTNYCYANNDFYNFPKISINPHCISKENLKQYILATSMGVVEWAAKKGLPLTYRWSDTLAEKENYYQRYLTVAAENNVDITHVDHQFPLLVNINPDRDIAKQEMRDYIRGYIAEAYPNTDQEEKIEELIKQHAVGTEDEYYESSKYALEKTGSKNVLLSFESMKNKAAVIDLINMVNEK...
0
15,313
78,495
UN
78,495
Q9KKJ5
NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])CCCNO)[C@@H](O)[C@H]2O)C=C1.CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]>>CC(=O)N(O)CCCP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O.CC(C)(COP(=O)([O-])OP(=O)...
null
CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.Nc1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)CCCNO)[C@@H](O)[C@H]2O)c(=O)n1>>CC(=O)N(O)CCCP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O.CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc...
MFPPSYDAFQGVTAIGWACANMAHHFGISLVMTQPITYLLQLQQLAKQGQTRFGCWLRGDAQWQHHLLKTLVPHFAEQPILMLGQTELEGVTCVDYRQGQQWLGRECQLLIVDLTQGWDANSFNAVLGTLVGGGLLLVVGEPTTLNHCARVWLERACHRLLVITPQTVPALPNSDSVTRTNTEQTYTEQRLAIDSIIKVVTGHRKRPLVLTADRGRGKTSALGLAAAELMSSRSMHIVVTAPTLAAVEPLFVHAQRTLPQAHRQRGEVQTAQSSLRFMAPDELLRTQPESDLLLVDEAAALPLPFLKRWVERYHRAVFSS...
0
15,314
79,847
UN
79,847
Q8Y240
*P(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OC(=O)[C@@H](N)CC1=CC=C(O)C=C1.*P(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+]>>NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@H](CC2=CC=C(O)C=C2)NC1=O.*P(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O.*P(=O)...
null
*P(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OC(=O)[C@@H](N)CCCNC(=N)N.*P(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OC(=O)[C@@H](N)Cc1ccc(O)cc1>>*P(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.*P(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2c...
MEVTQRGCDELLIAAEWEQKLARSAATGVPLRIKLGLDPTAPDIHIGHTVVLNKMRQLQDLGHQVIFLIGDFTSTIGDPSGRNATRPPLTREQIEANAQTYYRQASMVLDPSKTEIRYNSEWCDPLGARGIIQLAAKYTVARMMERDDFTKRYKAGVPISVHEFLYPLMQGYDSVALKSDLELGGTDQKFNLLVGRELQKEYGQEPQCILTMPLLVGLDGVEKMSKSKGNYVGISEAPNEMFGKLMSISDDLMWTYYTLLSFRPLAEIDLMKQEVTLGRNPRDCKVLLAQEIIARFHSQADAERALEDFNHRARGGVPDD...
0
15,315
79,039
UN
79,039
Q6HFF0
CSC1=NC(/C=C/C(=O)[O-])=CN1.[H]O[H]>>CSC1=NC(CCC(=O)[O-])=C(O)N1
null
CSc1nc(/C=C/C(=O)O)c[nH]1.O>>CSc1nc(CCC(=O)O)c(O)[nH]1
MEKVKQTIRAPRGTELQTKGWVQEAALRMLMNNLDPEVAEKPEELVVYGGIGRAARNWESYNAIVDSLKTLESDETLLVQSGKPVAIFKSHEDAPRVLLANSNLVPKWANWDHFRELEKKGLMMYGQMTAGSWIYIGTQGILQGTYETFGEAARQHFGGSLKGTLTLTAGLGGMGGAQPLAVTMNGGVVIAIDVDKRSIDRRIEKRYCDMYTESLEEALTVANEYKEKKEPISIGLLGNAAEILPELVKRNITPDLVTDQTSAHDPLNGYIPVGYTLEEAAKLREEDPERYVQLSKESMTKHVEAMLTMQAKGAITFDYG...
0
15,316
80,643
UN
80,643
A1R3U5
*CS(=O)(=O)[O-].[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[H]O[H].[H]O[H]>>[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe...
1.97.1.13
*CS(=O)(=O)O.O.O.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41>>O=S(O)O.[1*]C(=O)O.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]...
MTDETLRLTARITGVVQGVGFRYWTARKADELLLKGTVRNSADGSVELVAEGSAADVDSIVKWLHSSRAPGRVENVDFQVSDATGEFDDFRIID
0
15,317
56,376
UN
56,376
Q55650
O=C([O-])C1=CC(Br)=C(O)C(O)=C1.[Br-].NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](OP(=O)([O-])[O-])[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O.[H+].[H+].[H+]>>OC1=CC(Br)=CC(Br)=C1O.O=C=O.NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C...
null
Br.NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)c1cc(O)c(O)c(Br)c1.O=O>>NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.O.O=C=O.Oc1cc(Br)cc(Br)c1O
MENNSLAPLRVGILGFGGLGQAAARLLAPKQEMKLVAVADRHGYLYDADGIDVDNAVQAYTQQGSVGKAKKGQMSEQSIEDLIGEGEVDGYFLALPNLPNTFMADVTRQFIASGWQGVLVDALKRTSAVEQLITLREDLAQAGITYMTGCGATPGLLTAAAAIASQSFQEIHQVKITFGVGIANWEAYRATIREDIAHMPGYNVDKAQAMTDAEVAALLDQTNGILALEDMEHADDIMLELAGICHRDQVTVGGVVDTRNPKKPLSTHVKITGRTFEGKISSHTFTLGDETSMAANVCGPAFGYLKAGYGLHRQGLKGLF...
0
15,318
57,132
UN
57,132
Q40593
[NH3+]CCC1=CC=C(O)C=C1.[H][C@]1([C@@H](O)CO)OC(=O)C(O)=C1[O-].O=O>>[NH3+]C[C@H](O)C1=CC=C(O)C=C1.O=C1O[C-]([C@@H](O)CO)C(=O)C1=O.[H]O[H]
null
NCCc1ccc(O)cc1.O=C1O[C@H]([C@@H](O)CO)C(O)=C1O.O=O>>NC[C@H](O)c1ccc(O)cc1.O.O=C1OC([C@@H](O)CO)C(=O)C1=O
MALAPHSNFLANHETIKYYVGSKLPGHKRFSWGWEDYFGSIVVAKICSSRRIPRYFRKSPRICCGLDSRGLQLFSHGKHNLSPAHSINQNVPKGNSGCKFPKDVALMVWEKWGQFAKTAIVAIFILSVASKADAVDALKTCTCLLKECRLELAKCISNPACAANVACLQTCNNRPDETECQIKCGDLFENSVVDEFNECAVSRKKCVPRKSDVGDFPVPDPSVLVQKFDMKDFSGKWFITRGLNPTFDAFDCQLHEFHTEENKLVGNLSWRIRTPDGGFFTRSAVQKFVQDPKYPGILYNHDNEYLLYQDDWYILSSKVE...
0
15,319
80,223
UN
80,223
P05093
[H][C@@]12CC[C@H](C(C)C)[C@@]1(C)CC[C@]1(C)/C3=C/C[C@]4([H])[C@](C)(CC[C@H](O)[C@@]4(C)C(=O)[O-])[C@@]3([H])CC[C@@]21C.CC1=C(C)C=C2C(=C1)NC1=C(NC(=O)NC1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].O=O>>[H][C@@]12CC[C@H](C(C)C)[C@@]1(C)CC[C@]1(C)/C3=C/C[C@]4([H])[C@](C)(C[C@@H](O)[C@H](O)[C@@]4(C)C(=O)[O-])[C@@]3([H]...
null
CC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)C3=CC[C@@H]4[C@](C)(CC[C@H](O)[C@@]4(C)C(=O)O)[C@H]3CC[C@@]21C.Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2.O=O>>CC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)C3=CC[C@@H]4[C@](C)(C[C@@H](O)[C@H](O)[C@@]4(C)C(=O)O)[C@H]3CC[C@@]21C.Cc1cc2nc3c(=O)[nH]c(=O)nc-3n...
MWELVALLLLTLAYLFWPKRRCPGAKYPKSLLSLPLVGSLPFLPRHGHMHNNFFKLQKKYGPIYSVRMGTKTTVIVGHHQLAKEVLIKKGKDFSGRPQMATLDIASNNRKGIAFADSGAHWQLHRRLAMATFALFKDGDQKLEKIICQEISTLCDMLATHNGQSIDISFPVFVAVTNVISLICFNTSYKNGDPELNVIQNYNEGIIDNLSKDSLVDLVPWLKIFPNKTLEKLKSHVKIRNDLLNKILENYKEKFRSDSITNMLDTLMQAKMNSDNGNAGPDQDSELLSDNHILTTIGDIFGAGVETTTSVVKWTLAFLLH...
0
15,320
13,961
UN
13,961
Q6VQA8
C=CC1=C(C)C2=N/C1=C\C1=C(C)C(CCC(=O)[O-])=C(/C=C3\N=C(/C=C4\N/C(=C\2)C(C=C)=C4C)C(C)=C3CCC(=O)[O-])N1.[Mg+2].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O.[H]O[H]>>C=CC1=C(C)/C2=C/C3=C(C=C)C(C)=C4/C=C5/C(C)=C(CCC(=O)[O-])C6=[N+]5[Mg-2]5(N43)N3C(=C6)C(CCC(=O)[O-])=C(C)/C3=C/C...
6.6.1.1
C=CC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)O)C(CCC(=O)O)=C4C)c(C)c3C=C.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O.[Mg+2]>>C=CC1=C(C)C2=Cc3c(C=C)c(C)c4n3[Mg-2]35n6c(c(C)c(CCC(=O)O)c6=CC6=[N+]3C(=C4)C(C)=C6CCC(=O)O)=CC1=[N+]25.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)...
MKLAYWMYAGPAHIGTLRVASSFKNVHAIMHAPLGDDYFNVMRSMLERERDFTPVTASIVDRHVLARGSQEKVIENITRKDKEENPDLIILTPTCTSSILQEDLQNFVNRAGLDSKSDVILADVNHYRVNELQAADRTLEQIIRFYLEKARSQSNEPLRKTEKPSANILGIFTLGFHNQHDCRELKRLLTDLGIVINQILPEGGSVTNINELPKAWFNLIPYREVGLMAANYLKNEYDMPYVAVTPMGLLDTENCIREIVDIVKSSDTSYNFDFETYIDTQTRFISQAAWFSRSIDCQNLTGKKAVVFGDATHAASITKI...
0
15,321
78,815
UN
78,815
Q8ECU3
[NH3+]CCCC[NH3+].NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](OP(=O)([O-])[O-])[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O>>[NH3+]CCCCNO.NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](OP(=O)([O-])[O-])[C@@H]3O)[C@@H](O)[C@H]2O)=C1...
1.14.13.252
NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.NCCCCN.O=O>>NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.NCCCCNO.O
MTTPKKEIDRTIYDLLGIGIGPFNLGLAALCEPINDLSCLFLDAKTEFDWHPGMLINSSRLQTPFMSDLVTMADPTSRFSYLNFAKQTSRLYSFYIRENFFLPRHEYNQYCQWVSKQLSNLNFGVKVTQVNYNAGEGIYAVTAIDRRSGKPLTYLCRKLVLGTGTTPYLPDNCPIQDPRVMHSASYMQQKTYLQSQSAITVIGSGQSAAEIFYDLLQDIDIYGYQLNWMTRSPRFYPLEYTKLTLEMTSPDYVDYFHELSSEKRHRLITEQKSLYKGINAELINDIYDLLYQKRLISNIQCQLLTNVALTAIDTSGDKLK...
1
15,322
75,907
UN
75,907
Q9SJM3
[H][C@]1([C@@H](O)CO)O[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O.*N[C@@H](CO)C(*)=O>>*N[C@@H](CO[C@H]1O[C@]([H])([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O)C(*)=O.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O.[H+]
null
*N[C@@H](CO)C(*)=O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@@H]2O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O>>*N[C@@H](CO[C@H]1O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O)C(*)=O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O
MESFAGSCEIVEEKDAVRLAKHSSRYCMSPLGSSKDMEQRPALKSGYQGSMEYDIDQLFQSITIKPSPRRVMGSSFHHLETSASAGTSRSTSPSNKGAMKKPFPMGTPRSPRVGPSDSISLKQALRDLCISKASEMASQKRLSKSAAASPRVSEADRIKTLYRQVLNESAGKPGLPVDKGKSLVEISLTPVVDIPSSSQSVPQRYDVLETEPSNFISEPSQAEILLHVLGNGSGIKTVGYGMLETVSLCKSNKSGSCLSSGSGDYEIEIDENHTSPPHMVIEDQLVEIDKHVTSLPSCSGSKVDTEELDKSIVSSARVKS...
0
15,323
69,611
UN
69,611
A9MVX4
OC[C@H]1O[C@H](O[C@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O.[H]O[H]>>OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O
3.2.1.216
O.OC[C@H]1O[C@H](O[C@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O>>OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O.OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
MIPPEIRRSVLLQKAIKLALAGTLLTFASFSATAADPSSDTETPQPPDILLGPLFNDVQNAKLFPDQKTFADAIPNSDPLMILADYRMQRNQSGFDLRHFVDVNFTLPKAGEKYVPPAGQSLREHIDGLWPVLTRSTKNVEKWDSLLPLPESYVVPGGRFREIYYWDSYFTMLGLAESGHWDKVADMVANFGYEIDAWGHIPNGNRTYYLSRSQPPFFAFMVELLAQHEGDDALKEYLPQLQKEYAYWMEGVETLQPGQQNQRVVKLEDGSVLNRYWDDRDTPRPESWVEDIATAKSNPNRPATEIYRDLRSAAASGWDF...
0
15,324
30,495
UN
30,495
Q8HYM9
CC(C)[C@H](NO)C(=O)[O-].CC1=C(C)C=C2C(=C1)NC1=C(NC(=O)NC1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].O=O>>CC(C)[C@@H](C(=O)[O-])N(O)O.CC1=C(C)C=C2C(=C1)/N=C1/C(=O)[N-]C(=O)N=C1N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].[H]O[H].[H+]
null
CC(C)[C@H](NO)C(=O)O.Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2.O=O>>CC(C)[C@@H](C(=O)O)N(O)O.Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C.O
MWELVALLLLTLAYLFWPKRRCPGAKYPKSLLSLPLVGSLPFLPRHGHMHNNFFKLQKKYGPIYSVRMGTKTTVIVGHHQLAKEVLIKKGKDFSGRPQVTTLDILSNNRKGIAFADYGAHWQLHRRLAMATFALFKDGDQKLEKIICQEISTLCDMLATHNGQTIDISFPVFVAITNVISLICFNISYKNGDPELKIVHNYNEGIIDSLGKESLVDLFPWLKVFPNKTLEKLKRHVKTRNDLLTKIFENYKEKFHSDSITNMLDVLMQAKMNSDNGNAGPDQDSELLSDNHILTTIGDIFGAGVETTTSVVKWIVAFLLH...
0
15,325
69,536
UN
69,536
P9WID3
O=P([O-])([O-])OC[C@]1(O)OC[C@@H](O)[C@H](O)[C@@H]1O.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O>>O=P([O-])([O-])OC[C@H]1OC(O)(COP(=O)([O-])[O-])[C@@H](O)[C@H]1O.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O.[H+]
2.7.1.234
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OC[C@]1(O)OC[C@@H](O)[C@H](O)[C@@H]1O>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OC[C@H]1OC(O)(COP(=O)(O)O)[C@@H](O)[C@H]1O
MTEPAAWDEGKPRIITLTMNPALDITTSVDVVRPTEKMRCGAPRYDPGGGGINVARIVHVLGGCSTALFPAGGSTGSLLMALLGDAGVPFRVIPIAASTRESFTVNESRTAKQYRFVLPGPSLTVAEQEQCLDELRGAAASAAFVVASGSLPPGVAADYYQRVADICRRSSTPLILDTSGGGLQHISSGVFLLKASVRELRECVGSELLTEPEQLAAAHELIDRGRAEVVVVSLGSQGALLATRHASHRFSSIPMTAVSGVGAGDAMVAAITVGLSRGWSLIKSVRLGNAAGAAMLLTPGTAACNRDDVERFFELAAEPT...
0
15,326
80,311
UN
80,311
K7NBR2
[H][C@]12CC[C@]3(C)C(=CC[C@@]3([H])[C@@H]3C[C@H]([C@@H]4OC4(C)C)O[C@H]3OC(C)=O)[C@]1(C)[C@H](O)C[C@@]1([H])C(C)(C)C(=O)CC[C@]21C.CC1=C(C)C=C2C(=C1)NC1=C(NC(=O)NC1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].O=O>>[H][C@]12CC[C@]3(C)C(=CC[C@@]3([H])[C@@H]3C[C@H]([C@@H]4OC4(C)C)O[C@H]3OC(C)=O)[C@]1(C)[C@H](O)C[C@@]1([H...
null
CC(=O)O[C@@H]1O[C@@H]([C@@H]2OC2(C)C)C[C@H]1[C@@H]1CC=C2[C@]3(C)[C@H](O)C[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]21C.Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2.O=O>>CC(=O)O[C@@H]1O[C@@H]([C@@H]2OC2(C)C)C[C@H]1[C@@H]1CC=C2[C@]3(C)[C@H](O)C[C@H]4C(C)(C)OC(=O)CC[C@]4(C)[C@H]3CC[C@]21C.Cc1...
MWTVVLGLATLFVAYYIHWINKWRDSKFNGVLPPGTMGLPLIGETIQLSRPSDSLDVHPFIQKKVERYGPIFKTCLAGRPVVVSADAEFNNYIMLQEGRAVEMWYLDTLSKFFGLDTEWLKALGLIHKYIRSITLNHFGAEALRERFLPFIEASSMEALHSWSTQPSVEVKNASALMVFRTSVNKMFGEDAKKLSGNIPGKFTKLLGGFLSLPLNFPGTTYHKCLKDMKEIQKKLREVVDDRLANVGPDVEDFLGQALKDKESEKFISEEFIIQLLFSISFASFESISTTLTLILKLLDEHPEVVKELEAEHEAIRKARA...
0
15,327
80,263
UN
80,263
B2S7X3
COC1=CC=C(/C=C2\NC(=O)[C@H](CCCNC(N)=[NH2+])NC2=O)C=C1OCC[C@H](NC(=O)C[C@](O)(CC(=O)[O-])C(=O)[O-])C(=O)[O-].[NH3+][C@@H](CC(=O)[O-])C(=O)[O-].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O>>COC1=CC=C(/C=C2\NC(=O)[C@H](CCCNC(N)=[NH2+])NC2=O)C=C1OCC[C@H](NC(=O)C[C@](O)(CC(=O)N...
null
COc1ccc(/C=C2\NC(=O)[C@H](CCCNC(=N)N)NC2=O)cc1OCC[C@H](NC(=O)C[C@](O)(CC(=O)O)C(=O)O)C(=O)O.N[C@@H](CC(=O)O)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>COc1ccc(/C=C2\NC(=O)[C@H](CCCNC(=N)N)NC2=O)cc1OCC[C@H](NC(=O)C[C@](O)(CC(=O)N[C@@H](CC(=O)O)C(=O)O)C(=O)O)C(=O)O.Nc1ncnc2c1ncn2[C...
MSKWKDVKKVVLAYSGGLDTSIILKWLQTELGAEVVTFTADLGQGEELEPARKKAEMLGIKEIFIEDVREEFVRDFVFPMFRANAVYEGVYLLGTSIARPLISKHLIDIAKKTGADAIAHGATGKGNDQVRFELSAYALNPDIKIIAPWRDWSFKSRTQLLEFAEQHQIPVAKDKKGEAPFSVDANLLHSSSEGKVLEDPSQEAPEYVHMRTISPETAPDKATIIKIGFEKGDAVSINGERLSPATLLAKLNDYGRDNGIGRLDLVENRFVGMKSRGVYETPGGTILLAAHRAIESITLDRGAAHLKDELMPRYAELIYY...
0
15,328
65,776
UN
65,776
A0A076FF10
CC1=C(Cl)C=C(NC(=O)N(C)C)C=C1.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.O=O.[H+].[H+]>>CNC(=O)NC1=CC(Cl)=C(C)C=C1.[H]C([H])=O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H]
null
Cc1ccc(NC(=O)N(C)C)cc1Cl.O=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1>>C=O.CNC(=O)Nc1ccc(C)c(Cl)c1.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1
MEVLQASSLSFQLLRRHSRNNLINKFRNPSLPRIHMPRQNIDLKTFAAITPTVACPPSEPEIIPEKKEDKFEWYENWYPVASVCDLDKRRPHGRKVIGIDVVVWWDRKENAWKVFDDTCPHRLAPLSEGRIDQWGRLQCVYHGWCFDGAGACKFIPQAPHHGPPVETSKKACVKGVYPSCVRNGIVWFWPNSDPKYKDIFLTKKPHYIPELDDPSFTCTMTTREVPYGYEILAENLMDPSHVPYAHYGILELEKVKESAKRDREGGHELEIRVGKIDVNGFSAKQVSADYYFVPPYLYYGRITPNTATKAIDVTLPVVPE...
0
15,329
76,767
UN
76,767
Q55214
CC1=CC2=C(C(=O)C3=C(C=C([O-])C=C3O)C2=O)C(O)=C1.C[S+](CC[C@H]([NH3+])C(=O)[O-])C[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1O>>COC1=CC2=C(C(=O)C3=C(O)C=C(C)C=C3C2=O)C(O)=C1.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CSCC[C@H]([NH3+])C(=O)[O-])[C@@H](O)[C@H]1O
null
C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O>>COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O
MQDSSYKKQVTQAFDQSSSTYDRLGVEFFTPMGRRLVDISEPVTGERVLDIGCGRGACLFPAAEKVGSQGCVHGIDIAPGMIEEARKEATERGLRNISLMVMDAETPGFPARSFDLVMGSYSVIFLPDAVGALARYADILDHGGRIAFTSPVFRAGTFPFLPPEFTPLIPQALLEHLPEQWRPEALVRRFNSWLERAEDLVRTLEGCGYARLRQSTSRCG
0
15,330
76,519
UN
76,519
C6DKP5
*N[C@@H](CCCCNC(=O)CCCC[C@@H]1CCSS1)C(*)=O.[H]O[H]>>*N[C@@H](CCCC[NH3+])C(*)=O.O=C([O-])CCCC[C@@H]1CCSS1
3.5.1.138
*N[C@@H](CCCCNC(=O)CCCC[C@@H]1CCSS1)C(*)=O.O>>*N[C@@H](CCCCN)C(*)=O.O=C(O)CCCC[C@@H]1CCSS1
MSSLRLLISDSYDPWFNLAVEECIFRQMPTTQRVLFLWRNAETVVIGRAQNPWKECNTRRMEEDGIKLARRSSGGGAVFHDLGNTCFTFMAGKPEYDKSVSTQIVLDALSALGLKASASGRNDLVVETADGVRKVSGSAYRETKDRGFHHGTLLLNADLNRLADYLNPDIKKLQAKGITSVRSRVANLVELLPSVDHQVICQAVTQAFFDYFGEQCEPEIISPSAYPDLPGFSEQFARQSSWEWNFGQAPDFSHLLDNRFTWGGIELHFDVERGVIIRAQVYTDSLNPAPLEALACALQGTAYRPENMAATCQALITAFP...
0
15,331
77,075
UN
77,075
Q6WKY9
C=C(C)[C@H]1CC[C@@H](C)[C@]12CC=C(C)CC2.CC1=C(C)C=C2C(=C1)NC1=C(NC(=O)NC1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].CC1=C(C)C=C2C(=C1)NC1=C(NC(=O)NC1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].O=O.O=O>>CC1CCC2C3(C)[CH+]C4CC12CCC4(C)O3.CC1=C(C)C=C2C(=C1)/N=C1/C(=O)[N-]C(=O)N=C1N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)...
null
C=C(C)[C@H]1CC[C@@H](C)[C@]12CC=C(C)CC2.Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2.Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2.O=O.O=O>>CC1CCC2C3(C)CC4CC12CCC4(C)O3.Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C.Cc1cc2nc3c(=O)[...
MELQISSAIIILVATFVASLLIKQWRKSESQQNLPPGPPKLPLVGHLHLLWGKLPQHAMADMAKKYGPVTHVQLGEVFSVVLSSREATKEAMKLLDPACADRFESIGTRIMWYDNDDIIFSPYSDHWRQMRKICVSELLSARNVRSFGFIRQDEMSRLLRHLQSSAGETVDMTERIATLTCSIICRAAFGAIINDHEELVELVKDSLSMASGFELADLFPSSKLLNLLCWNKSKLWRMRRRVDTILEAIVEEHKLKKSGEFGGEDIIDVLFRMQKDSQIKVPITTNAIKAFIFDTFSAGTETSSTTTLWVMAELMRNPAV...
0
15,332
33,087
UN
33,087
B4TQG9
O=C([O-])C1=CC2=C(C=C1)[C@@]1(CCC2=O)OC(O)[C@H](O)[C@@H]1O>>O=C([O-])C1=CC2=C(C=C1)C(O)=CC=C2O.O=C(CO)CO
4.1.99.29
O=C(O)c1ccc2c(c1)C(=O)CC[C@@]21OC(O)[C@H](O)[C@@H]1O>>O=C(CO)CO.O=C(O)c1ccc2c(O)ccc(O)c2c1
MELYLDTANVAEVERLARIFPIAGVTTNPSIVAASKESIWDVLPRLQNAIGEEGTLFAQTMSRDAKGMVEEAKRLNNAIPGIVVKIPVTAEGLAAINLLKKEGIVTLGTAVYSASQGLLAALAGAKYVAPYVNRVDAQGGDGIRMVQELQTLLEHHAPDSMVLAASFKTPRQALDCLLAGCQAITLPLDVAQQMLNTPAVESAIERFEQDWKNAFGNLNL
0
15,333
80,199
UN
80,199
Q9F131
O=C([O-])C1=CC=C([N+](=O)[O-])C=C1.NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+].[H+]>>O=C([O-])C1=CC=C(NO)C=...
null
NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)c1ccc([N+](=O)[O-])cc1>>NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@...
MHNNILIAGAGIGGLSAALGLARKGMRSIVLEKAPELGEIGAGIQLAPNAYHALDALGIGEVARQTGVHVDKLLWMDGMTDKEIASVPLANRFREFFGNPYAVIHRADFHGLLVEACHKTGLVEVRTNAEVVDYENFPDRVEAILHDGSCINGAVLVGADGLWSNVRQKVIGDGDPRVSGHTTYRSVIPAEDMPEELRWNMSTAWAGEGCHMVHYPLKGGKVFNLVLTSNSGASEPEAGVPVTTDEVFEKFKTMKRRPTSLIHKGNNWKRWVLCDRDPLPNWVDGRVTLLGDAAHPMMQYMAQGASMAIEDAVCLAFELG...
0
15,334
78,411
UN
78,411
O96569
COC(=O)NC1=NC2=C(C=CC=C2)N1.[H]O[H]>>NC1=NC2=CC=CC=C2N1.CO.O=C=O
3.1.1.122
COC(=O)Nc1nc2ccccc2[nH]1.O>>CO.Nc1nc2ccccc2[nH]1.O=C=O
VPPHMHGYYPTSVSYPSIVGEMLASGFSIIGFSWICSPACTELEVVVMDWLAKFLKLPEHFLHATEGPGGGVIQGSASEAVLVAVLAAREQAVCRVRASHPELSESDIRGKLVAYSSDQSNSCIEKAGVLAAMPIKLLPAGEDLILRGAALRSAIEQDVTAGLIPVICIATLGTTGTCAYDDVDSLATVCEQYNVWLHVDAAYAGGAFALDECSELRRGLERVDSLNFNLHKFMLVNFDCSAMWLRDANKVVDSFNVDRIYLKHKYEGQTQIPDFRHWQIPLGRRFRALKVWITFRTLGAEGLRAHVRKHIELAKKFEVF...
0
15,335
80,267
UN
80,267
A8G7L2
NC(=[NH2+])NCCC[C@@H]1NC(=O)/C(=C/C2=CC=C(O)C(OCC[C@H](NC(=O)C[C@](O)(CC(=O)[O-])C(=O)[O-])C(=O)[O-])=C2)NC1=O.[NH3+][C@@H](CC(=O)[O-])C(=O)[O-].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O>>NC(=[NH2+])NCCC[C@@H]1NC(=O)/C(=C/C2=CC=C(O)C(OCC[C@H](NC(=O)C[C@](O)(CC(=O)N[C@@H]...
null
N=C(N)NCCC[C@@H]1NC(=O)/C(=C/c2ccc(O)c(OCC[C@H](NC(=O)C[C@](O)(CC(=O)O)C(=O)O)C(=O)O)c2)NC1=O.N[C@@H](CC(=O)O)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>N=C(N)NCCC[C@@H]1NC(=O)/C(=C/c2ccc(O)c(OCC[C@H](NC(=O)C[C@](O)(CC(=O)N[C@@H](CC(=O)O)C(=O)O)C(=O)O)C(=O)O)c2)NC1=O.Nc1ncnc2c1nc...
MQQVKKVVLAYSGGVDTSVCIPYLKKEYGISEVITFVADLGQGEDLELIRQKALNSGASQSIVGNLVNSFVERYAFPAIRANALYLDKYPLSTALARPLIAENLVNIAREFSADAVAHGCTGKGNDQVRFDLAINALGPDLKIITPAREWNMSREEAIIYGEKFGIPAPVSKKSPYSIDVNLLGRSIEAGILEDPMQEAPEDIFAMTSSIDNSPDSPLDIEIIFKNGFPVGINDEFLTPVEIIKKANVLAGEHGYGRIDMIEDRVVGIKSREIYETPGLLLLIKAHKELESITLNPDIVDFKGIVEKKWGQIVYQGFWFG...
0
15,336
80,347
UN
80,347
P27786
[H][C@]12CC[C@]3(C)C(=CC[C@@]3([H])C(CO)C[C@@H](O)[C@@H]3OC3(C)C)[C@]1(C)[C@H](OC(C)=O)C[C@@]1([H])C(C)(C)OC(=O)C[C@H](OC(C)=O)[C@]21C.CC1=C(C)C=C2C(=C1)NC1=C(NC(=O)NC1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].O=O>>[H][C@]12CC[C@]3(C)C(=CC[C@@]3([H])C(CO)CC=O)[C@]1(C)[C@H](OC(C)=O)C[C@@]1([H])C(C)(C)OC(=O)C[C@H](...
null
CC(=O)O[C@H]1CC(=O)OC(C)(C)[C@@H]2C[C@@H](OC(C)=O)[C@@]3(C)C4=CC[C@@H](C(CO)C[C@@H](O)[C@@H]5OC5(C)C)[C@]4(C)CC[C@@H]3[C@@]12C.Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2.O=O>>CC(=O)O[C@H]1CC(=O)OC(C)(C)[C@@H]2C[C@@H](OC(C)=O)[C@@]3(C)C4=CC[C@@H](C(CO)CC=O)[C@]4(C)CC[C@@H]3[C@@]12C.CC(C...
MWELVGLLLLILAYFFWPKSKTPNAKFPRSLPFLPLVGSLPFLPRRGHMHANFFKLQEKYGPIYSLRLGTTTAVIVGHYQLAREVLVKKGKEFSGRPQMVTLGLLSDQGKGVAFADSSSSWQLHRKLVFSTFSLFRDDQKLEKMICQEANSLCDLILTYDGESRDLSTLIFKSVINIICTICFNISFENKDPILTTIQTFTEGIVDVLGHSDLVDIFPWLKIFPNKNLEMIKEHTKIREKTLVEMFEKCKEKFNSESLSSLTDILIQAKMNAENNNTGEGQDPSVFSDKHILVTVGDIFGAGIETTSSVLNWILAFLVHN...
0
15,337
30,483
UN
30,483
P14581
CC[C@H](C)[C@H](NO)C(=O)[O-].CC1=C(C)C=C2C(=C1)NC1=C(NC(=O)NC1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].O=O>>CC[C@H](C)[C@@H](C(=O)[O-])N(O)O.CC1=C(C)C=C2C(=C1)/N=C1/C(=O)[N-]C(=O)N=C1N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].[H]O[H].[H+]
null
CC[C@H](C)[C@H](NO)C(=O)O.Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2.O=O>>CC[C@H](C)[C@@H](C(=O)O)N(O)O.Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C.O
MSVSALSSTRLPGSFSGFLQAAALLGLLLLLLKAAQLYLRRQWLLRALQQFPCPPSHWLLGHSREFPIDSELQQVLKRVEKFPSACPRWLWGSELFLICYDPDYMKTILGRSDPKARVSYSFLAPWIGYGLLLLEGQTWFQHRRMLTPAFHYDILKPYVGLMVDSVQVMLDKLEKLARKDAPLEIYEHVSLMTLETIMKCAFSHQGSVQLESRTSKSYIQAVRELSDLALQRVRNVFHQSDFLYRLSPEGRLSHRACQLAHEHTDRVIQQRKAQLQQEGELEKVRRKRRLDFLDVLLFAKMENGSSLSDQDLRAEVDTFM...
0
15,338
74,147
UN
74,147
Q920L6
CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)[C@@H](CC(=O)[O-])C(=O)C1=CC=CC=C1.CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCS>>CC(C)(COP(=O)([O-])OP(=O)([O-]...
2.3.1.310
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCS.CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)[C@@H](CC(=O)O)C(=O)c1ccccc1>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](...
MNMSVLTLQEYEFEKQFNENEAIQWMQENWKKSFLFSALYAAFIFGGRHLMNKRAKFELRKPLVLWSLTLAVFSIFGALRTGAYMLYILMTKGLKQSVCDQSFYNGPVSKFWAYAFVLSKAPELGDTIFIILRKQKLIFLHWYHHITVLLYSWYSYKDMVAGGGWFMTMNYGVHAVMYSYYALRAAGFRVSRKFAMFITLSQITQMLMGCVINYLVFNWMQHDNDQCYSHFQNIFWSSLMYLSYLLLFCHFFFEAYIGKVKKATKAE
0
15,339
76,767
UN
76,767
B4XY98
CC1=CC2=C(C(=O)C3=C(C=C([O-])C=C3O)C2=O)C(O)=C1.C[S+](CC[C@H]([NH3+])C(=O)[O-])C[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1O>>COC1=CC2=C(C(=O)C3=C(O)C=C(C)C=C3C2=O)C(O)=C1.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CSCC[C@H]([NH3+])C(=O)[O-])[C@@H](O)[C@H]1O
null
C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O>>COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O
MAAGSGSGTPPGTPPPTLLTDLATGLWKTQTLTAAIETGLFEALAAGDADAPETAQRLGIGKRPAEILLTACTALGLLEQRDGRYRNTAVAAHYLVPGLPDYFGGYVQMVARYTAPGWLRATEAVRTDAPTKPVPDPDRNMFEEGNRPESFWEGLFTFSTLTARQLAASVDLSGVRRIMDVGGGAGATLIELCRQHPHLSGTVVDLPHVCALAGERIAAAGMTGRIDTAAADFFADPLPSGHDAVLLSMILHDWDESQNRKILASCLDALPSGGTVLISELLVDDDKSGPVDAALMSMNMLVGTWGRNYTGAEYTDWLRD...
0
15,340
14,769
UN
14,769
Q6D454
[H][C@@]1(C2=CC=CN=C2)CCC[NH+]1C.*.[H]O[H]>>[H][C@@]1(C2=CN=C(O)C=C2)CCC[NH+]1C.[H]*[H]
1.5.99.4
CN1CCC[C@H]1c1cccnc1.O>>CN1CCC[C@H]1c1ccc(O)nc1
MTLHTSPILHSLLDTDAYKLHMQQAVYHHYYDVDVAAEFRCRGDELLGVYADEIAHQVDLMRFLSLSDDEFTYLSSLPFFQQDYLNWLRNFRFNPQQVSIKNNAGKLDIRITGPWREVILWEVPLLAVISEVVHRHRSPNVTTEQAVAQLSTSLESFRQNSMNVDLSQFKLMDFGTRRRFSGDIQQTIVTALQADFPYLIGTSNYDLARRLGITPVGTQAHEWFQAHQQISPTLANSQRAALQMWLREYPTHLGIALTDCITMDAFLRDFDLPFAEAYQGLRHDSGDPVDWGEKAIAHYQRLNIDPMSKTLVFSDNLNLD...
0
15,341
51,636
UN
51,636
Q2YX16
O=[Se]([O-])[O-].[1*]C1=C([2*])C(=O)C([3*])=C([4*])C1=O.[H]O[H]>>O=[Se](=O)([O-])[O-].[1*]C1=C(O)C([4*])=C([3*])C(O)=C1[2*]
1.97.1.14
O.O=[Se](O)O.[1*]C1=C([2*])C(=O)C([3*])=C([4*])C1=O>>O=[Se](=O)(O)O.[1*]c1c([2*])c(O)c([3*])c([4*])c1O
MSHDTNTIDSRTHEGELNKLGFWIFITAEFALFGTLFATLLTLQHGGDYAGKMTTELFELPLVLIMTFALLFSSYTCGIAIYYMRQEKQKLMMFWMIITLLLGLVFVGFEIYEFAHYASEGVNPTIGSYWSSFFILLGTHGCHVSLGIVWAICLLIQIQRRGLDKYNAPKLFIVSLYWHFLDVVWVFIFTAVYMIGMVYSG
0
15,342
70,775
UN
70,775
P58759
O=S(=O)([O-])C[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O.CC1=C(C)C=C2C(=C1)NC1=C(NC(=O)NC1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].O=O>>O=C[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O.CC1=C(C)C=C2C(=C1)/N=C1/C(=O)[N-]C(=O)N=C1N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].O=S([O-])[O-].[H]O[H].[H+].[H+]
1.14.14.181
Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2.O=O.O=S(=O)(O)C[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O>>Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C.O.O=C[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O.O=S(O)O
MEVGVFIPIGNNGWLLSENAPQYKPSFDLNKAITLKAEQYGFDFALSMIKLRGFGGKTEFWDYNLESFTLMAGLAAVTSKIKLFGTAATLVMPPAIVARMATTIDSISGGRFGINLITGWQRPEYSQMGLWPGDDYFGDRYEYLGEYTSVLKELLTEGQSDFKGKFFQMDDCRMKPVPQGDVKLICAGSSNSGMAFSAKFADYSFCFGVGVNTPKAFAPTNERLLAATEKSGREVKSVVLTMVLAEEKSEDAWAKWEHYKAGADEDAIKWLGLQSAVDTKSGSDTNVRHMSNPVSAVNINMGTLIGSYEEVAAMLDEMSE...
0
15,343
12,000
UN
12,000
A2XAY1
[H]C(=O)[O-].NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](OP(=O)([O-])[O-])[C@@H]3O)[C@@H](O)[C@H]2O)=C1>>O=C=O.NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](OP(=O)([O-])[O-])[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1
1.17.1.10
NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=CO>>NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C=O
MASKPGPLTQWPWNNLGNYKYALVAPSAAYSTYRFVTASSAAERDLLNFMVFPMLLLRLLYGQLWITVSRHQTARSKHKIVNKSLDFEQIDRERNWDDQIILTALVFYLVSATMPQAQVAPWWSTKGMVVTAVLHAGPVEFLYYWLHRALHHHWLYARYHSHHHASIVTEPITSVIHPFAEEVVYFVLLAIPILSTVATGTVSVVTANGYLVYIDFMNYLGHCNFELVPKCLFHVFPPLKYLLYTPSFHSLHHTQFRTNYSLFMPVYDYIYGTTDKSSDELYERTLQGRDEAAWRPDVVHLTHLTAPESVFHNRLGFAAV...
0
15,344
76,243
UN
76,243
B3P6R5
*NCC(=O)NCC(*)=O.[H]O[H]>>*C(=O)C[NH3+].*NCC(=O)[O-]
null
*NCC(=O)NCC(*)=O.O>>*C(=O)CN.*NCC(=O)O
MDHVKLVNDPIDIAHIHQLLADAGCGASSVFVGTTRDNFQGKKVVSLAYEAYDSMALKEMNKICLDLRSKWPDLKHIVIYHRLGTVPVCEASVVIAASSPHRSEALESVSFAIDQLKTRVPIWKKEIYEGDHVSEWKENKESIRPKRSKSAFNYAACPCKVEESHDVPRTLVQIRVNDAELTKRLECFVNRKRDEINSQNVIDFKSSFVNSDIDLSDSCARTQSTIIKQEQSNCHLKVRRVNNRCGPQQMEMRPNYELELNKLMGSRDGQTDPFKEMRKSLPNSRLQAIESYMCLTTDNEENIFSRIKKVENRLLQLESI...
0
15,345
79,175
UN
79,175
Q29551
O=C([O-])C1CCCCC1.CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCC(=O)[O-]>>CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C1CCCCC1.O=C([O-])CCC(=O)[O-]
2.3.1.315
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCC(=O)O.O=C(O)C1CCCCC1>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C1CCCCC1.O=C(O)CCC(=O)O
MAALTLLSSRLRLCASAYRSGGAWSQGCAGYFSTSTRRHTKFYTDAVEAVKDIPNGATVLVGGFGLCGIPENLIGALLKTGVKELTAVSNNAGVDNFGLGLLLQSKQIKRMISSYVGENAEFERQYLAGELEVELTPQGTLAERIRAGGAGVPAFYTSTGYGTLVQEGGSPIKYNKDGSIAIASKPREVREFNGQHFILEEAIRGDFALVKAWKADQAGNVTFRKSARNFNLPMCKAAETTVVEVEEIVDIGSFAPEDIHIPKIYVHRLVKGEKYEKRIERLSVRKEEDVKTRSGKLGDNVRERIIKRAALEFEDGMYAN...
0
15,346
80,203
UN
80,203
P81893
O=C([O-])C1=CC=C(NO)C=C1.[H]O[H].[H+]>>O=C([O-])C1=CC(O)=C(O)C=C1.[H][N+]([H])([H])[H]
null
O.O=C(O)c1ccc(NO)cc1>>N.O=C(O)c1ccc(O)c(O)c1
TSTSYPSIVGEMLASGFGVIGFSWICSPACTELEVVVMDWLAKFLKPPAHFQHASDGPGGGVIQGSASEAVLVAVLAAREQAVASYRESHPELSESEVRGRLVAYSSDQSNSCIEKAGVLAAMPIRLLPAGEDFVLRGDTLRGAIEEDVAAGRIPVICVATLGTTGTCAYDDIESLSAVCEEFKVWLHVDAAYAGGAFALEECSDLRKGLDRVDSLNFNLHKFMLVNFDCSAMWLRDANKVVDSFNVDRIYLKHKHEGQSQIPDFRHWQIPLGRRFRALKVWITFRTLGAEGLRNHVRKHIELAKQFEQLVLKDSRFELV...
0
15,347
81,487
UN
81,487
Q9ZUY6
CC(=O)N[C@H]1[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=CC(=O)NC3=O)[C@H](O)[C@@H]2O)O[C@H](C(=O)[O-])[C@@H](O)[C@@H]1O.[H+]>>CC(=O)N[C@H]1[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=CC(=O)NC3=O)[C@H](O)[C@@H]2O)OC[C@@H](O)[C@@H]1O.O=C=O
4.1.1.128
CC(=O)N[C@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@H](C(=O)O)[C@@H](O)[C@@H]1O>>CC(=O)N[C@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)OC[C@@H](O)[C@@H]1O.O=C=O
MANGANRVDLDGKPIQPLTICMIGAGGFIGSHLCEKLLTETPHKVLALDVYNDKIKHLLEPDTVEWSGRIQFHRINIKHDSRLEGLVKMADLIINLAAICTPADYNTRPLDTIYSNFIDALPVVKYCSENNKRLIHFSTCEVYGKTIGSFLPKDHPLRDDPAFYVLKEDISPCIFGSIEKQRWSYACAKQLIERLVYAEGAENGLEFTIVRPFNWIGPRMDFIPGIDGPSEGVPRVLACFSNNLLRREPLKLVDGGESQRTFVYINDAIEAVLLMIENPERANGHIFNVGNPNNEVTVRQLAEMMTEVYAKVSGEGAIES...
0
15,348
23,044
UN
23,044
A1UNA3
O=C([O-])[C@H](CC1=CC=C(O)C=C1)N(O)O.[H+]>>[H]/C(CC1=CC=C(O)C=C1)=N\O.O=C=O.[H]O[H]
null
O=C(O)[C@H](Cc1ccc(O)cc1)N(O)O>>O.O/N=C/Cc1ccc(O)cc1.O=C=O
MPRIAYLGPQGTFTESALLQMISGAMVPGGDADDTAVTPVPTDSTPAGLEAVRSGAADYACVPIENSIEGSVLPTLDSLAVGAPLQIFAELTLAVSFSIVVRPDHDGDVGTVAAFPVAAAQVRRWLAEHLPAAQLVPAHSNAAAAADVAGGRADAGISTALAAERYGLRSLAAGVVDEPNARTRFVLVGRPAPPPARTGADRTSVALRLPNTPGALVAAMTELSIRDIDLTRIESRPTRTELGTYVFFLDCVGHLEDDAVAEALKALHRRCEDVRYLGSWPTGTAAGAPPPSSDEATRWLTRLREGLPTPPEGGR
0
15,349
77,075
UN
77,075
Q0DBF4
C=C(C)[C@H]1CC[C@@H](C)[C@]12CC=C(C)CC2.CC1=C(C)C=C2C(=C1)NC1=C(NC(=O)NC1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].CC1=C(C)C=C2C(=C1)NC1=C(NC(=O)NC1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].O=O.O=O>>CC1CCC2C3(C)[CH+]C4CC12CCC4(C)O3.CC1=C(C)C=C2C(=C1)/N=C1/C(=O)[N-]C(=O)N=C1N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)...
null
C=C(C)[C@H]1CC[C@@H](C)[C@]12CC=C(C)CC2.Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2.Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2.O=O.O=O>>CC1CCC2C3(C)CC4CC12CCC4(C)O3.Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C.Cc1cc2nc3c(=O)[...
MESMLVAGAGAAAVAAVGGLVAAAALADKLVAAPPPRKNRANPPPAVPGLPIIGNLHQLKEKKPHQTFAKWSETYGPIYTIKTGASPVVVLNSTEVAKEAMIDKFSSISTRKLPKAMSVLTRKSMVAISDYGDYQKMAKRNIMIGMLGFNAQKQFRGTRERMISNVLSTLHKLVSLDPHSPLNFRDVYINELFSLSLIQSLGEDVSSVYVEEFGREISKDEIFDVLVHEMMMCAVEADWRDYFPYLSWLPNKSFDTIVSTTEFRRDAIMNALIKKQKERIARGEARASYIDFLLEAERSAQLTDDQLMLLLSESILAAAD...
0
15,350
13,961
UN
13,961
B7JV38
C=CC1=C(C)C2=N/C1=C\C1=C(C)C(CCC(=O)[O-])=C(/C=C3\N=C(/C=C4\N/C(=C\2)C(C=C)=C4C)C(C)=C3CCC(=O)[O-])N1.[Mg+2].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O.[H]O[H]>>C=CC1=C(C)/C2=C/C3=C(C=C)C(C)=C4/C=C5/C(C)=C(CCC(=O)[O-])C6=[N+]5[Mg-2]5(N43)N3C(=C6)C(CCC(=O)[O-])=C(C)/C3=C/C...
6.6.1.1
C=CC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)O)C(CCC(=O)O)=C4C)c(C)c3C=C.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O.[Mg+2]>>C=CC1=C(C)C2=Cc3c(C=C)c(C)c4n3[Mg-2]35n6c(c(C)c(CCC(=O)O)c6=CC6=[N+]3C(=C4)C(C)=C6CCC(=O)O)=CC1=[N+]25.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)...
MKLAYWMYAGPAHIGTLRIASSFKNVHAIMHAPLGDDYFNVMRSMLERERDFTPVTASIVDRNVLARGSQEKVVDNIVRKDGEENPDLIVLTPTCTSSILQEDLANFVDRAQMDAKGDVMLADVNHYRYNELQAADRTLHQIVKFYLEKAQKKGELPQRKTEKPSVNIIGISTLGFHNQHDCTELKRLMADLGIEVNEVIPEGASVHNLKNLPKAWFNLVPYRELGLATAGYLEEQFGMSYVDITPMGVVETARCIRKIQQLINAQGAEVDYEEFIKEQTLYVSQAAWFSRSIDCQNLTGKKAVVFGDNTHAAAITKILA...
0
15,351
77,651
UN
77,651
P86231
C/C=C/CCCCC/C=C/C1=C(CC(=O)[O-])C(=O)OC1=O.C/C=C/CCCCC/C=C/C1=C(CC(=O)[O-])C(=O)OC1=O.[H+]>>[H][C@@]12/C3=C(\C[C@@]4(CC(=O)[O-])C(=O)OC1(O)C4=C[C@H](CCCCC/C=C/C)[C@H]2CCCCC/C=C/C)C(=O)OC3=O.O=C=O
null
C/C=C/CCCCC/C=C/C1=C(CC(=O)O)C(=O)OC1=O.C/C=C/CCCCC/C=C/C1=C(CC(=O)O)C(=O)OC1=O>>C/C=C/CCCCC[C@@H]1[C@@H](CCCCC/C=C/C)C=C2C3(O)OC(=O)[C@]2(CC(=O)O)CC2=C(C(=O)OC2=O)[C@@H]13.O=C=O
MFHLRTCAAKSVHKSWDIFFRNTNAGAPPGTAYQSPLSLSRLGFYGLHESDLDKSTRFEEFLQRGRLNVLANVIRYHLGMYHRRSSPYPTDVARICEEAFTRRQILLPFRKPLIVFTPKSLLRHPEARTSFDEMLPGTHFQRVYYDLTRAKPVWYAGRKTHLTELQRFLDTAFDLDAFKK
0
15,352
76,491
UN
76,491
Q87GA3
COC1=C(O)C=CC(/C=C/C(=O)[O-])=C1.[H]O[H]>>[H]C(=O)C1=CC(OC)=C(O)C=C1.CC(=O)[O-]
4.1.2.65
COc1cc(/C=C/C(=O)O)ccc1O.O>>CC(=O)O.COc1cc(C=O)ccc1O
MSSHPTKITFFEFLTPLITSGQKTITIRDESESHYVPNTEVEVFTLETDRKVCDIKILSVEPLNFDEINEFHAEQEAIELPKLKQLIREIYPNIDKLFVIEYELIKK
0
15,353
79,431
UN
79,431
P50393
CCCCCCCCCCCCCCCC/C=C\OC[C@@H](O)COP(=O)([O-])OCC[NH3+].CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C>>CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](CO/C=C\CCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[NH3+].CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C
null
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C.CCCCCCCCCCCCCCCC/C=C\OC[C@@H](O)COP(=O)(O)OCCN>>CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](CO/C=C\CCCCCCCCCCCCCCCC)COP(=O)(O)OCCN.CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCC[N+](C)(C)C
MSFIDPYQHIIVEHQYSHKFTVVVLRATKVTKGTFGDMLDTPDPYVELFISTTPDSRKRTRHFNNDINPVWNETFEFILDPNQENVLEITLMDANYVMDETLGTATFPVSSMKVGEKKEVPFIFNQVTEMILEMSLEVCSCPDLRFSMALCDQEKTFRRQRKENIKENMKKLLGPKKSEGLYSTRDVPVVAILGSGGGFRAMVGFSGVMKALYESGILDCATYVAGLSGSTWYMSTLYSHPDFPEKGPEEINEELMKNVSHNPLLLLTPQKVKRYVESLWKKKSSGQPVTFTDIFGMLIGETLIQNRMSTTLSSLKEKVS...
0
15,354
13,961
UN
13,961
Q7U5I4
C=CC1=C(C)C2=N/C1=C\C1=C(C)C(CCC(=O)[O-])=C(/C=C3\N=C(/C=C4\N/C(=C\2)C(C=C)=C4C)C(C)=C3CCC(=O)[O-])N1.[Mg+2].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O.[H]O[H]>>C=CC1=C(C)/C2=C/C3=C(C=C)C(C)=C4/C=C5/C(C)=C(CCC(=O)[O-])C6=[N+]5[Mg-2]5(N43)N3C(=C6)C(CCC(=O)[O-])=C(C)/C3=C/C...
6.6.1.1
C=CC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)O)C(CCC(=O)O)=C4C)c(C)c3C=C.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O.[Mg+2]>>C=CC1=C(C)C2=Cc3c(C=C)c(C)c4n3[Mg-2]35n6c(c(C)c(CCC(=O)O)c6=CC6=[N+]3C(=C4)C(C)=C6CCC(=O)O)=CC1=[N+]25.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)...
MAGPTLLKESGPREVFCGLTSIVWLHRRMPDAFFLVVGSRTCAHLIQSAAGVMIFAEPRFGTAILSERDLAGLADAHEELDRVARELLQRRPEIRTLFLVGSCPSEVIKLDLARAAERLNDELQGRVRVVNYSGSGIETTFTQGEDGALAALVPLLPSSAERQLLLVGTLADAVEDRLIHLFGRLGIDRVRSLPPRQSTALPPVGPGTTVLLTQPFLTDTARLLRNRGATVLTAPFPLGAEGSRRWMEAAAQAFEVAPSHVATVLDPLMERARIALEPHREVLAGKRIFLLPESQLELPLARFLQRECGMELVEVGTPYL...
0
15,355
74,843
UN
74,843
O54702
[1*][C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@]5(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@]([H])([C@H](O)[C@H](O)CO)O5)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC([2*])=O.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OS(=...
null
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O)[C@@H](OP(=O)(O)O)[C@H]1O.[1*][C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@]5(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O...
MHHQWLLLAACFWVIFMFMVASKFITLTFKDPDGYSAKQEFVFLTAMPEAEKLRGEKHFSEVMKPTGKMLSESHPDQPPVYLERLELIRNACKEEALRNLSHTEVSKFVLDRIFVCDKHKILFCQTPKVGNTQWKKVLIVLNGAFSSIEEIPENVVHDHEKNGLPRLSSFSKIGIQKRLKTYFKFFIVRDPFERLISAFKDKFVHNPRFEPWYRHEIAPGIIRKYRKNRTETRGIQFEDFVRYLGDPNRRWLDLQFGDHIIHWVTYVKLCAPCEIKYSVIGHHETLEADAPYILKEAGIDHLVSYPTIPPGITMYNRTKV...
0
15,356
29,775
UN
29,775
A8IA58
O=P([O-])([O-])O[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O>>O=P([O-])([O-])OC[C@H]1O[C@H](OP(=O)([O-])[O-])[C@H](O)[C@@H]1O.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O.[H+]
2.7.1.239
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OC[C@H]1O[C@H](OP(=O)(O)O)[C@H](O)[C@@H]1O
MSVMGSGLFFFVVGPSGSGKDTLIEGAKAALGPTGRYVFARRAITRPADAGGEAHEALSVDQFDAVLAQGGFLIHWEAHGLKYGLRATLLDDMAAGRHVIANGSRAMVAALAERVPHLVVVEITAPEAVLAERLKGRGREGAENIAARLERKVPPFPESVTVIQVPNDSTPRAGIEKFVAALVAQTARLRLVRMAIETGRRNVAFLARGNTVVAAPDYLGPGRVDLIGEGRSIRAEVALVGDALLPSDAVGLSSEAFGALGLPEGAELVLTRTPVPESRAALRRKIQGATLDEGAYAQVVGDIVEGRYPDSEVAGFLVAA...
0
15,357
69,252
UN
69,252
Q32KH0
C=CC/C([S-])=N/OS(=O)(=O)[O-]>>N#CCC1CS1.O=S(=O)([O-])[O-]
4.8.1.8
C=CC/C(S)=N/OS(=O)(=O)O>>N#CCC1CS1.O=S(=O)(O)O
MLLLWLSVFAASALAAPDRGAGGRRRGAAGGWPGAPNVVLVVSDSFDGRLTFYPGSQAVKLPFINLMKAHGTSFLNAYTNSPICCPSRAAMWSGLFTHLTESWNNFKGLDPNYTTWMDIMEKHGYRTQKFGKLDYTSGHHSISNRVEAWTRDVAFLLRQEGRPMINLIPKKTKVRVMEGDWKNTDRAVNWLRKEASNSTQPFVLYLGLNLPHPYPSPSSGENFGSSTFHTSLYWLKKVSYDAIKIPKWSPLSEMHPVDYYSSYTKNCTGKFTKKEIKNIRAFYYAMCAETDAMLGEIILALRQLDLLQNTIVIYTSDHGE...
0
15,358
80,211
UN
80,211
B2FL98
NC(=[NH2+])NCCC[C@@H]1NC(=O)/C(=C/C2=CC=C(O)C=C2)NC1=O.[H]*[H].O=O>>NC(=[NH2+])NCCC[C@@H]1NC(=O)/C(=C/C2=CC=C(O)C(O)=C2)NC1=O.*.[H]O[H]
null
N=C(N)NCCC[C@@H]1NC(=O)/C(=C/c2ccc(O)cc2)NC1=O.O=O>>N=C(N)NCCC[C@@H]1NC(=O)/C(=C/c2ccc(O)c(O)c2)NC1=O.O
MIAHASRSLSIIGAGLAGSLLAILLSRQGWRITLYERRGDPRVADYESGRSINLALAERGRNALRQAGVEDEVMARAVMMRGRMVHPREGEPQLQRYGRDDSEVIWSIHRSDLNTTLLELAEQAGATVHFHRRLHTVDFDAGYARFIDDRDDSPHDIRFDTLIGADGAGSALRAAMNRRAPLGEDIAFLDHSYKELEIPPADDGSFRIERNALHIWPRGHYMCIALPNHEGTFTVTLFLPNQGDPSFATINTGAQAEALFAREFADTLPLIPNLRADWEQHPPGLLGTLTLDRWHQQGRAVLIGDAAHAMVPFHGQGMNC...
0
15,359
76,579
UN
76,579
P9WIL0
CC1(C)CC[C@@H](C(=O)[O-])N=C1C(=O)[O-].NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](OP(=O)([O-])[O-])[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+].[H+]>>CC1(C)CC[C@@H](C(=O)[O-])[NH2+]C1C(=O)[O-].NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=C...
null
CC1(C)CC[C@@H](C(=O)O)N=C1C(=O)O.NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>CC1(C)CC[C@@H](C(=O)O)NC1C(=O)O.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1
MATGIALVGPGAVGTTVAALLHKAGYSPLLCGHTPRAGIELRRDGADPIVVPGPVHTSPREVAGPVDVLILAVKATQNDAARPWLTRLCDERTVVAVLQNGVEQVEQVQPHCPSSAVVPAIVWCSAETQPQGWVRLRGEAALVVPTGPAAEQFAGLLRGAGATVDCDPDFTTAAWRKLLVNALAGFMVLSGRRSAMFRRDDVAALSRRYVAECLAVARAEGARLDDDVVDEVVRLVRSAPQDMGTSMLADRAAHRPLEWDLRNGVIVRKARAHGLATPISDVLVPLLAAASDGPG
0
15,360
76,995
UN
76,995
Q2JMP5
[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41.NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](OP(=O)([O-])[O-])[C@@H]3O)[C@@H](O)[C@H]2O)=C1.[H+]>>[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]...
1.18.1.2
NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41>>NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O...
MNAALDSANALNFQCETGNYHTFCPISCVAWLYQKIEDSFFLVIGTKTCGYFLQNAMGVMIFAEPRYAMAELEEGDISAKLNDYEELKRLCLQIQRDRNPSVIVWIGTCTTEIIKMDLEGLAQKLEGEIGIPIVVARANGLDYAFTQGEDTVLASMAQRCPEQVRAEEQETRGGLQALFYGLRSGKKKEEEGFHKHPPLVIFGSVPDPVVTQLTLELKKHGIRVSGWLPAKRYGELPAIEPGTYVVGVNPFLSRTATTLVRRKKAKLITAPFPIGPDGTRAWIEAIARELGIPTQGLAEREAEVWNHPQVRDYRELLRGK...
0
15,361
45,700
UN
45,700
Q9HTF3
C[N+](C)(C)CC(=O)[O-].NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O.[H+]>>C[NH+](C)CC(=O)[O-].[H]C([H])=O.NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)=C1....
1.14.13.251
C[N+](C)(C)CC(=O)O.NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O>>C=O.CN(C)CC(=O)O.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O
MSSNFLNPVTTQTWANGRHLVRCVKVIQETWDVRTFCFMADQPILFFFKPGQFVTLELEIDGEPVMRSYTISSSPSVPYSFSITIKRVPGGRVSNWLHDNLKEGQELPVHGPVGLFNAIDFPADKVLFLSGGVGITPVMSMARWFFDTNANVDMVFVHSARSPKDIIYHRELEHMASRIDNFSLHIICERHGLGEAWAGYRGYLNLRMLELIAPDFLEREIFCCGPTPYMSAVKHLLQGHGYDMSRYHEEAFGPTPPEVRADVRELAAEAAEAPEVPVADQHQVEFTATGKSIRVSPGETVHAAAAKLGLHIPKACGMGI...
1
15,362
76,995
UN
76,995
Q31BZ1
[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41.NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](OP(=O)([O-])[O-])[C@@H]3O)[C@@H](O)[C@H]2O)=C1.[H+]>>[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]...
1.18.1.2
NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41>>NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O...
MTSTINKPLDGEGSVQVKQDPKINIEEGALVIAVYGKGGIGKSTTSSNLSAAFSKLGKKVLQIGCDPKHDSTFTLTHKMVPTVIDILEEVDFHSEELRPTDFMFEGFNGVMCVESGGPPAGTGCGGYVTGQTVKLLKEHHLLEDTDVVIFDVLGDVVCGGFAAPLQHANYCLIVTANDFDSIFAMNRIVSAIKAKAKNYKVRLGGVVANRSKDTDQIDKFNERTGLKTMAHFKDVDAIRRSRLKKCTIFEMEPTEDVIEVQNEYLSLAKNMLENVEPLEGNPLKDREIFDLLGFD
0
15,363
13,961
UN
13,961
Q31BZ0
C=CC1=C(C)C2=N/C1=C\C1=C(C)C(CCC(=O)[O-])=C(/C=C3\N=C(/C=C4\N/C(=C\2)C(C=C)=C4C)C(C)=C3CCC(=O)[O-])N1.[Mg+2].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O.[H]O[H]>>C=CC1=C(C)/C2=C/C3=C(C=C)C(C)=C4/C=C5/C(C)=C(CCC(=O)[O-])C6=[N+]5[Mg-2]5(N43)N3C(=C6)C(CCC(=O)[O-])=C(C)/C3=C/C...
6.6.1.1
C=CC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)O)C(CCC(=O)O)=C4C)c(C)c3C=C.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O.[Mg+2]>>C=CC1=C(C)C2=Cc3c(C=C)c(C)c4n3[Mg-2]35n6c(c(C)c(CCC(=O)O)c6=CC6=[N+]3C(=C4)C(C)=C6CCC(=O)O)=CC1=[N+]25.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)...
MELTLWTYEGPPHVGAMRVASSMKDIHYVLHAPQGDTYADLLFTMIERRGQRPPVTYTTFQARDLGGDTAELVKRNITEAVERFKPKTLLVGESCTAELIQDQPGALAKGMGFDIPIVNLELPAYSKKENWGASETFYQIIRTLLKDKVNEIDKINPQRWKSLGRRPKVNILGPTLLGFRCRDDVIEIQRILSEQGIDTNVVAPLGSSPEDIERLIDADINVCLYHEIAEISCEWLKRNCGMEYTTTIPIGIKNTINFIHEVHEKLDLPLTNKGELENKSKLPWYSKSVDSNYLTGKRVFIFGDGTHAIAAAKIAKDELG...
0
15,364
14,769
UN
14,769
Q9EQ76
[H][C@@]1(C2=CC=CN=C2)CCC[NH+]1C.*.[H]O[H]>>[H][C@@]1(C2=CN=C(O)C=C2)CCC[NH+]1C.[H]*[H]
1.5.99.4
CN1CCC[C@H]1c1cccnc1.O>>CN1CCC[C@H]1c1ccc(O)nc1
MKRKVAVIGAGVSGLAAIRSCLEEGLEPTCFERSDDVGGLWKFSDHTEEGRASIYQSVFTNSSKEMMCFPDFPYPDDFPNFMHNSKLQEYITSFATEKNLLKYIQFETLVTRINKCPDFSTTGKWEVTTEKNSKKETAVFDAVMICSGHHVYPHLPKDSFPGLNRFKGKCFHSRDYKEPGTWKGKRVLVIGLGNSGCDIAAELSHVAQQVIISSRSGSWVMSRVWNDGYPWDMVVITRFQTFLKNNLPTAISDWWYMKQMNARFKHENYGLMPLNGTLRKEPVFNDELPARILCGTVSIKPNVKEFTETSAVFEDGTVFE...
0
15,365
73,831
UN
73,831
Q6ZXA0
*[C@@H](O)CC(=O)N[C@H]1[C@H](OC[C@H]2O[C@H](OP(=O)([O-])[O-])[C@H](NC(=O)C[C@@H](*)O)[C@@H](OC(=O)C[C@@H](*)O)[C@@H]2O)O[C@H](CO[C@]2(C(=O)[O-])C[C@@H](O[C@]3(C(=O)[O-])C[C@@H](O)[C@@H](O)[C@@H]([C@H](O)CO)O3)[C@@H](O)[C@@H]([C@H](O)CO)O2)[C@@H](OP(=O)([O-])[O-])[C@@H]1OC(=O)C[C@@H](*)O.[H][C@]1([C@H](O)CO)O[C@](OP(=O)...
2.4.99.15
*[C@@H](O)CC(=O)N[C@H]1[C@H](OC[C@H]2O[C@H](OP(=O)(O)O)[C@H](NC(=O)C[C@@H](*)O)[C@@H](OC(=O)C[C@@H](*)O)[C@@H]2O)O[C@H](CO[C@]2(C(=O)O)C[C@@H](O[C@]3(C(=O)O)C[C@@H](O)[C@@H](O)[C@@H]([C@H](O)CO)O3)[C@@H](O)[C@@H]([C@H](O)CO)O2)[C@@H](OP(=O)(O)O)[C@@H]1OC(=O)C[C@@H](*)O.Nc1ccn([C@@H]2O[C@H](COP(=O)(O)O[C@@]3(C(=O)O)C[C@...
MWGRWRGAGGRRGVAQPVIPQMKLLGGRVPLGASALGLLIVCWFYIFPGGERLPGHKEMIRQVLQFGPRWGRNRSSGDSFRKLLQDCCDPPRLFSMTKANTALGENLWYDGEFFQSLTIDNTTRSLFPQDTPIKLPLKRCSVVGNGGILKNSRCGEQIDEADFVMRCNLPPLSREYTDDVGTKTQLVTVNPSIIDKRFQNLLWSRKSFVESVSVYKQSYVYMPAFSTKRGTDPSLRVYYTLEDFGTNQTVLFANPNFLRNVGKFWKSKGVHSKRLSTGLFMVSAALSLCEEVTIYGFWPFQMDLGGRHISHHYYDNMLPL...
0
15,366
80,087
UN
80,087
P40875
[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[NH3+]CCS(=O)(=O)[O-].[H]O[H].[H]O[H]>>[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41.[SH]12[Fe]3[S...
null
NCCS(=O)(=O)O.O.O.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41>>NCC(=O)O.O=S(O)O.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4...
MADLLPEHPEFLWANPEPKKSYDVVIVGGGGHGLATAYYLAKNHGITNVAVLEKGWLAGGNMARNTTIIRSNYLWDESAGIYEKSLKLWEQLPEELDYDFLFSQRGVLNLAHTLGDVRESVRRVEANKFNGVDAEWLTPEQVKEVCPIINIGDDIRYPVMGATYQPRAGIAKHDHVAWAFARKANEMGVDIIQNCEVTGFLKDGEKVTGVKTTRGTIHAGKVALAGAGHSSVLAELAGFELPIQSHPLQALVSELFEPVHPTVVMSNHIHVYVSQAHKGELVMGAGIDSYNGYGQRGAFHVIEEQMAAAVELFPIFARAH...
0
15,367
75,727
UN
75,727
O62664
CCCCC/C=C\C=C\CCCCCCCCC(=O)[O-].[H]O[H]>>CCCCC/C=C\C[C@@H](O)CCCCCCCCC(=O)[O-]
null
CCCCC/C=C\C=C\CCCCCCCCC(=O)O.O>>CCCCC/C=C\C[C@@H](O)CCCCCCCCC(=O)O
MSRQGISLRFPLLLLLLSPSPVLPADPGAPAPVNPCCYYPCQHQGICVRFGLDRYQCDCTRTGYYGPNCTIPEIWTWLRTTLRPSPSFVHFLLTHGRWLWDFVNATFIRDKLMRLVLTVRSNLIPSPPTYNVAHDYISWESFSNVSYYTRILPSVPRDCPTPMGTKGKKQLPDAEFLSRRFLLRRKFIPDPQGTNLMFAFFAQHFTHQFFKTSGKMGPGFTKALGHGVDLGHIYGDNLERQYQLRLFKDGKLKYQMLNGEVYPPSVEEAPVLMHYPRGIPPQSQMAVGQEVFGLLPGLMVYATIWLREHNRVCDLLKAEH...
0
15,368
21,372
UN
21,372
Q03248
CCOC(N)=O.[H]O[H].[H+]>>CCO.[H][N+]([H])([H])[H].O=C=O
3.5.1.75
CCOC(N)=O.O>>CCO.N.O=C=O
MAGPEWQSLEQCLEKHLPPDDLSQVKRILYGKQTRNLDLPRKALEAASERNFELKGYAFGAAKEQQRCPQIVRVGLVQNRIPLPTSAPVAEQVSALHKRIEEIAEVAAMCGVNIICFQEAWNMPFAFCTREKLPWTEFAESAEDGLTTRFCQKLAKKHNMVVISPILERDRDHGGVLWNTAVVISNSGLVMGKTRKNHIPRVGDFNESTYYMEGNLGHPVFQTQFGRIAVNICYGRHHPLNWLMYSVNGAEIIFNPSATIGELSESMWPIEARNAAIANHCFTCALNRVGQEHYPNEFTSGDGKKAHHDLGYFYGSSYVA...
0
15,369
75,759
UN
75,759
P13745
CCCCCC/C=C/C=C\CCCCCCCC(=O)[O-].[H]O[H]>>CCCCCC/C=C/C(O)CCCCCCCCC(=O)[O-]
null
CCCCCC/C=C/C=C\CCCCCCCC(=O)O.O>>CCCCCC/C=C/C(O)CCCCCCCCC(=O)O
MAGKPVLHYFNARGRMECIRWLLAAAGVEFEEKFIQSPEDLEKLKKDGNLMFDQVPMVEIDGMKLAQTRAILNYIATKYDLYGKDMKERALIDMYSEGILDLTEMIGQLVLCPPDQREAKTALAKDRTKNRYLPAFEKVLKSHGQDYLVGNRLTRVDIHLLEVLLYVEEFDASLLTPFPLLKAFKSRISSLPNVKKFLQPGSQRKPPMDAKQIQEARKAFKIQ
0
15,370
66,952
UN
66,952
B7UNB1
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\COP(=O)([O-])OP(=O)([O-])O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)([O-])OP(=O)([O-])O[C@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)O2)C(=O)NC1=O>>CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C...
2.4.1.377
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\COP(=O)(O)OP(=O)(O)O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)O2)c(=O)[nH]c1=O>>CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC/C(C)=C...
MTVLIHVLGSDIPHHNRTVLRFFNDALAATSGHAREFMVAGKDDGLSDSCPALSVQFFPGKKSLAEAVIAKAKANRQQRFFFHGQFNPKLWLALLSGGIKPSQFFWHIWGADLYELSSGLRYKLFYPLRRLAQKRVGCVFATRGDLSFFAKTHPKVRGELLYFPTRMDPSLNTMANDRQREGKMTILVGNSGDRSNEHIAALRAVHQQFGDTVKVVVPMGYPPNNEAYIEEVRQAGLELFSEENLQVLSEKLEFDAYLTLLRQCDLGYFIFARQQGIGTLCLLIQAGIPCVLNRENPFWQDMTEQHLPVLFTTDDLNEDI...
0
15,371
81,171
UN
81,171
Q64FJ6
CCCCCC[C@@H](O)CCCCCC/C=C/[C@H](O)[C@@H](O)[C@H](O)[C@H]([NH3+])C(=O)[O-].CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]>>CCCCCC[C@@H](O)CCCCCC/C=C/[C@H](OC(C)=O)[C@@H](O)[C@H](O)[C@H]([NH3+])C(=O)[O-].CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C...
null
CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.CCCCCC[C@@H](O)CCCCCC/C=C/[C@H](O)[C@@H](O)[C@H](O)[C@H](N)C(=O)O>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCS.CCCCCC[C@@H](O)CCCCCC/C=C/...
MMSFSVLQVKRLQPELITPAKSTPQETKFLSDIDDQESLRVQIPIIMCYKDNPSLNKNRNPVKAIREALSRALVYYYPLAGRLREGPNRKLVVDCNGEGILFVEASADVTLEQLGDKILPPCPLLEEFLYNFPGSDGIIDCPLLLIQVTCLTCGGFILALRLNHTMCDAAGLLLFLTAIAEMARGAHAPSILPVWERELLFARDPPRITCAHHEYEDVIGHSDGSYASSNQSNMVQRSFYFGAKEMRVLRKQIPPHLISTCSTFDLITACLWKCRTLALNINPKEAVRVSCIVNARGKHNNVRLPLGYYGNAFAFPAAIS...
0
15,372
76,543
UN
76,543
E6LDH5
CC(=O)N[C@@H](CSC(CC(=O)[O-])C(=O)[O-])C(=O)[O-]>>CC(=O)N[C@@H](CS)C(=O)[O-].O=C([O-])/C=C/C(=O)[O-]
null
CC(=O)N[C@@H](CSC(CC(=O)O)C(=O)O)C(=O)O>>CC(=O)N[C@@H](CS)C(=O)O.O=C(O)/C=C/C(=O)O
MGSHVIDLVMLRNNFSTAEMRAIWNDEARITKQLAVEAALAQAEGELGLIPKEAAKKIAKVAKETTFDIAAIAEQVAVLKHSLMPTINALQAAAGDEGEFVHYGATTQDIVDTGTVLQLKDAYNIVLRDTQVVFEKLAKLAKHYQNVPMVGRTHGMQALPITFGYKLAIWVDEFGRHLERLHEIKERVFTGNINGAVGSYASFGPKGSEVERQTLAILDLNAPTIGWQSSRDRFSEYASVIGLISATLGKIGNEFYNLMRTEINEIEEPFSKGKIGSSTMPHKRNPAAFEGLASLTPPVLKSVALIHESMHVEHERDAMS...
1
15,373
81,491
UN
81,491
Q8HXX8
CCCC[C@@H](C)[C@H](O)[C@H](C)C(=O)/C(C)=C/[C@@H](OC)[C@@H](O)[C@@H](OC)C(=O)N[C@H](CC1=CC=C(O)C(Cl)=C1)C(=O)[O-].CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N3C=NC4=C3N=CN=C4N)[C@H](O)[C@@H]1O)C1=NC(=O)[N-]C(=O)C1=N2.[H+].[H+]>>CCCC[C@@H](C)[C@H](O)[C@H](C)C(=O)/C(C)=C/[C@@H](OC)...
4.1.1.129
CCCC[C@@H](C)[C@H](O)[C@H](C)C(=O)/C(C)=C/[C@@H](OC)[C@@H](O)[C@@H](OC)C(=O)N[C@H](Cc1ccc(O)c(Cl)c1)C(=O)O.Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)c2cc1C>>CCCC[C@@H](C)[C@H](O)[C@H](C)C(=O)/C(C)=C/[C@@H](OC)[C@@H](O)[C@@H](OC)C(=O)N/C=C\...
MALRGVSVQLLSRVPGLRVFRTWVSSAAQTEKVGRTQSQLAKSSRPEFDWRDPLVLEEQLTTDEILIRDTFRTYCQERLMPRILLANRNEVFHREIISQMGELGVLGPTIKGYGCAGVSSVAYGLLARELERVDSGYRSAMSVQSPLVMHPIYAYGSEEQRQKYLPRLAKGELLGCFGLTEPNSGSDPSSMETRARYNSSNKSYTLNGTKTWITNSPMADLFVVWARCEDGRIRGFLLEKGMRGLSAPRIQGKFSLRASATGMIIMDGVEVPEENMLPGASSLGGSFGCLNNGRYGIAWGVLGASEFCLHTARQYALDRM...
0
15,374
78,092
LR
78,091
Q575T0
C=CC1=C(C)/C2=C/C3=C(C=C)C(C)=C4/C=C5/C(C)=C(CCC(=O)[O-])C6=[N+]5[Fe-2]5(N43)N3C(=C6)C(CCC(=O)[O-])=C(C)/C3=C/C1=[N+]25.[N]=O.O=O>>C=CC1=C(C)/C2=C/C3=C(C=C)C(C)=C4/C=C5/C(C)=C(CCC(=O)[O-])C6=[N+]5[Fe-]5(N43)N3C(=C6)C(CCC(=O)[O-])=C(C)/C3=C/C1=[N+]25.O=[N+]([O-])[O-]
null
C=CC1=C(C)C2=Cc3c(C=C)c(C)c4n3[Fe-2]35n6c(c(C)c(CCC(=O)O)c6=CC6=[N+]3C(=C4)C(C)=C6CCC(=O)O)=CC1=[N+]25.O=O.[N]=O>>C=CC1=C(C)C2=Cc3c(C=C)c(C)c4n3[Fe-]35n6c(c(C)c(CCC(=O)O)c6=CC6=[N+]3C(=C4)C(C)=C6CCC(=O)O)=CC1=[N+]25.O=[N+]([O-])[O-]
MERKQGEVDHLERSRPLTDKERVMIQDSWAKVYQNCDDAGVAILVRLFVNFPSSKQYFSQFKHIEDAEELEKSSQLRKHARRVMNAINTLVESLDNSDKVSSVLNAVGKAHAIRHKVDPVYFKILSGVILEVLGEAYPQVMTAEVASAWTNLLAILCCSIKAVYEELGWPHLSNSTS
1
15,375
58,824
UN
58,824
Q3J189
COC1=C(C)C(=O)C(C)=C(CC/C(C)=C/C(C)=C/C2=CC=C([N+](=O)[O-])C=C2)O1.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.O=O.O=O.[H+].[H+].[H+].[H+]>>[H][C@]1(C2=C(C)C(=O)C(C)=C(OC)O2)C/C(=C/C(C)=C/C2=CC=C([N+](=O)[O-])C=C2)CO1.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H].[H]O[H].[H]O[H]
1.14.15.37
COc1oc(CC/C(C)=C/C(C)=C/c2ccc([N+](=O)[O-])cc2)c(C)c(=O)c1C.O=O.O=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1>>COc1oc([C@H]2C/C(=C/C(C)=C/c3ccc([N+](=O)[O-])cc3)CO2)c(C)c(=O)c1C.O.O.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1
MQTVTLSIFRFNEFEKRLWVLGQMTANKLGMHYLPKAKFWKMFGSGTGQGFTPKPNWHVWSILAVWPDEETARREVAESPIYQRWTKMADESYTVLLQPTSAWGKWDGKEPFEPVKPASDVRPIAALTRATVKFWKAERFWAREPAISHMIGRNKDVVFKIGVGEVPFVQQVTFSIWPDARSMEEFARGAGGPHGEAIKAVRAENWFKEELYARFQILGTIGKWEGKDPVGEALTARPSEAPKPAPAPAAAQPAPAAEAPKPAPAPVAEKPALAVEMPKPAEPPKPVVEAPKPASAPVASKPMPQGGKPNFKGKPGKGGR...
0
15,376
76,767
UN
76,767
Q2I0M6
CC1=CC2=C(C(=O)C3=C(C=C([O-])C=C3O)C2=O)C(O)=C1.C[S+](CC[C@H]([NH3+])C(=O)[O-])C[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1O>>COC1=CC2=C(C(=O)C3=C(O)C=C(C)C=C3C2=O)C(O)=C1.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CSCC[C@H]([NH3+])C(=O)[O-])[C@@H](O)[C@H]1O
null
C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O>>COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O
MMQFQRDLEASLEAVSANAQELLKSLKSRKDVQDLNASLPKDPLDNCDAQTQAARAQLAEAATRILQLSIRPQEYLEHLQNGYQHLTCFRWLVELNILDHLPHSGTISYTDLARKASVPPMQLRSICRMAICNGFLEEPEANQVRHSRISALFARDESYLGWARWMVNYSVPAAYKLSDATRSWGETVAKDQTAFNLGMDVKVPFFDHLRQTPAMKDAFAAYMRNVTSNATWGLQHAVTGFDWASLPRGAKVVDVGGSLGHGSIAIAKEHTHLTFVIQDLPETVAGARKEMAQNDKIEASVKSRITFQEHDFFGPQTVKD...
0
15,377
59,224
UN
59,224
P53609
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]>>[H][C@]12[C@@]3(C)CCC[C@]1(C)CC(=C)[C@]1([H])CC[C@@H](C)[C@]([H])(CC3)[C@]21[H].O=P([O-])([O-])OP(=O)([O-])O
4.2.3.201
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>C=C1C[C@@]2(C)CCC[C@@]3(C)CC[C@@H]4[C@H]([C@@H]32)[C@H]1CC[C@H]4C.O=P(O)(O)OP(=O)(O)O
MAATEDERLAGSGEGERLDFLRDRHVRFFQRCLQVLPERYSSLETSRLTIAFFALSGLDMLDSLDVVNKDDIIEWIYSLQVLPTEDRSNLNRCGFRGSSYLGIPFNPSKAPGTAHPYDSGHIAMTYTGLSCLVILGDDLSRVNKEACLAGLRALQLEDGSFCAVPEGSENDMRFVYCASCICYMLNNWSGMDMKKAITYIRRSMSYDNGLAQGAGLESHGGSTFCGIASLCLMGKLEEVFSEKELNRIKRWCIMRQQNGYHGRPNKPVDTCYSFWVGATLKLLKIFQYTNFEKNRNYILSTQDRLVGGFAKWPDSHPDAL...
0
15,378
81,319
UN
81,319
Q5FVH2
*[C@@H]1O[C@H](CO)[C@@H](OP(=O)([O-])OC[C@H]2O[C@@H](N3/C=N\C4=C3N=C(N)NC4=O)[C@@H]3OP(=O)([O-])O[C@@H]32)[C@H]1O.[H]O[H]>>[1*][C@@H]1O[C@H](CO)[C@@H](OP(=O)([O-])[O-])[C@H]1O.NC1=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@H]3OP(=O)([O-])O[C@H]32)C(=O)N1.[H+]
null
*[C@@H]1O[C@H](CO)[C@@H](OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)[C@@H]3OP(=O)(O)O[C@@H]32)[C@H]1O.O>>Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@H]3OP(=O)(O)O[C@H]32)c(=O)[nH]1.[1*][C@@H]1O[C@H](CO)[C@@H](OP(=O)(O)O)[C@H]1O
MKPKLMYQELKVPVEEPAGELPMNEIEAWKAAEKKARWVLLVLILAVVGFGALMTQLFLWEYGDLHLFGPNQHPAPCYDPCEAVLVESIPEGLEFPNATTSNPSTSQAWLGLLAGAHSSLDIASFYWTLTNNDTHTQEPSAQQGEEVLQQLQALAPRGVKVRIAVSKPNGPLADLQSLLQSGAQVRMVDMQKLTHGVLHTKFWVVDQTHFYLGSANMDWRSLTQVKELGVVMYNCSCLARDLTKIFEAYWFLGQAGSSIPSTWPRPFDTRYNQETPMEICLNGTPALAYLASAPPPLCPGGRTPDLKALLSVVDNARSFI...
1
15,379
79,227
UN
79,227
Q6X2E2
[H][C@@]12C3=CNC4=C3C(=CC=C4)C(C)(C)[C@@]1([H])C[C@@H](Cl)[C@](C)(C=C)[C@@H]2[N+]#[C-].CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>[H][C@@]12C3=C(C(C)(C)C=C)NC4=C3C(=CC=C4)C(C)(C)[C@@]1([H])C[C@@H](Cl)[C@](C)(C=C)[C@@H]2[N+]#[C-].O=P([O-])([O-])OP(=O)([O-])O
2.5.1.159
CC(C)=CCOP(=O)(O)OP(=O)(O)O.[C-]#[N+][C@@H]1[C@@H]2c3c[nH]c4cccc(c34)C(C)(C)[C@H]2C[C@@H](Cl)[C@]1(C)C=C>>O=P(O)(O)OP(=O)(O)O.[C-]#[N+][C@@H]1[C@@H]2c3c(C(C)(C)C=C)[nH]c4cccc(c34)C(C)(C)[C@H]2C[C@@H](Cl)[C@]1(C)C=C
MVMAKTLHQEVYHTLSETFDFANNDQRLWWHSTAPMFEKMLQTANYSIDAQYRHLGIYKSHVIPFLGVYPTRSGERWLSILTRYGTPFELSLNCSDSVVRYTYEPINAATGSHLDPFNTFAIWEALKKHIESQPGIDLEWFSYFKQELTLDANESTYLHSQNLVKEQIKTQNKLALDLKGDKFVLKTYIYPELKSVATGKSVQELVFGSVRKLAQKHKSIRPAFEMLEDYVQSRNKFSTTDDSHNTLLSSRLLSCDLISPTKSRVKIYLLERMVSLPAMEDLWTLGGRREDQSTIEGLEMIRELWGLLNMSPGLRAYPEP...
0
15,380
75,779
UN
75,779
P33274
CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)[O-].[H]O[H]>>CC/C=C\C/C=C\C[C@@H](O)CC/C=C\CCCCC(=O)[O-]
null
CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O.O>>CC/C=C\C/C=C\C[C@@H](O)CC/C=C\CCCCC(=O)O
MSQLSLSWLGLGPEVAFPWQTLLLFGASWILAQILTQIYAAYRNFRRLRGFPQPPKRNWLMGHVGMVTPTEQGLKELTRLVGTYPQGFLMWIGPMVPVITLCHSDIVRSILNASAAVALKDVIFYTILKPWLGDGLLVSAGDKWSRHRRMLTPAFHFNILKPYVKIFNDSTNIMHAKWKRLISEGSSRLDMFEHVSLMTLDSLQKCVFSFDSNCQEKSSEYIAAILELSALVAKRHQQPLLFMDLLYNLTPDGMRFHKACNLVHEFTDAVIRERRRTLPDQGLDEFLKSKAKSKTLDFIDVLLLTKDEDGKELSDEDIRA...
0
15,381
78,523
UN
78,523
Q5ZXH9
[H][C@@]1([C@H](O)[C@H](O)CO)OC(C(=O)[O-])=C[C@H](O)[C@H]1NC(C)=O.[H]O[H]>>[H][C@@]1([C@H](O)[C@H](O)CO)O[C@@](O)(C(=O)[O-])C[C@H](O)[C@H]1NC(C)=O
null
CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(C(=O)O)=C[C@@H]1O.O>>CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](O)(C(=O)O)C[C@@H]1O
MGSNRKINGIKPRGSSMTCFIIAEAGVNHNGDLQLAKELVYAAKESGADAVKFQTFKADTLVNKTVEKAEYQKNNAPESSTQYEMLKALELSEEDHYLLSELANSLGIEFMSTGFDEQSIDFLISLGVKRLKIPSGEITNVPYLQHCASKKLPLIISTGMCDLQEVRVAIDTVKPYYGNSLSDYLVLLHCTSNYPASYQDVNLKAMQTLADEFQLPVGYSDHTLGILVPTLAVGMGACVIEKHFTMDKSLPGPDHLASMDPEEMKNLVQSIRDAETVLGSGEKKPSDNELPIRALVRRSITLRRDLVKGAQISKEDLILL...
0
15,382
78,499
UN
78,499
Q5R5M5
CC(=O)N(O)CCCP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O.[H]O[H]>>CC(=O)N(O)CCCP(=O)([O-])O.NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C=C1.[H+]
null
CC(=O)N(O)CCCP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O.O>>CC(=O)N(O)CCCP(=O)(O)O.Nc1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)n1
MESMLTLAMEQPVKRNTLKKYKIACIVLLALLVIVSLGLGLGLGLRKPEKQGSCRKKCFDASFRGLENCRCDVACKDRGDCCWDFEDTCVESTRIWMCNQFRCGETRLEASLCSCSDDCLQRKDCCADYKSVCQGETSWLEENCDTAQQSQCPEGFDLPPVILFSMDGFRAEYLHTWDTLMPNINKLKTCGIHSKYMRAMYPTKTFPNHYTIVMGLYPESHGIIDNNMYDVNLNKNFSLSSKEQNNPAWWHGQPMWLTAMYQGLKAATYFWPGSEAAINGSFPSIYMPYNGSVPFEERISTLLKWLDLPKAERPRFYTMY...
0
15,383
81,079
UN
81,079
Q94FT4
[H][C@@]12[C@H](OC(=O)C3=CC=C(O)C=C3)CC3=C(COC3=O)[C@@]1(CO)CCC[C@]2(C)CO.CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]>>[H][C@@]12[C@H](OC(=O)C3=CC=C(O)C=C3)CC3=C(COC3=O)[C@@]1(COC(C)=O)CCC[C@]2(C)CO.CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C...
null
CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.C[C@]1(CO)CCC[C@]2(CO)C3=C(C[C@@H](OC(=O)c4ccc(O)cc4)[C@@H]12)C(=O)OC3>>CC(=O)OC[C@]12CCC[C@](C)(CO)[C@@H]1[C@H](OC(=O)c1ccc(O)cc1)CC1=C2COC1=O.CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C...
MATMYSAAVEVISKETIKPTTPTPSQLKNFNLSLLDQCFPLYYYVPIILFYPATAANSTGSSNHHDDLDLLKSSLSKTLVHFYPMAGRMIDNILVDCHDQGINFYKVKIRGKMCEFMSQPDVPLSQLLPSEVVSASVPKEALVIVQVNMFDCGGTAICSSVSHKIADAATMSTFIRSWASTTKTSRSGGSTAAVTDQKLIPSFDSASLFPPSERLTSPSGMSEIPFSSTPEDTEDDKTVSKRFVFDFAKITSVREKLQVLMHDNYKSRRQTRVEVVTSLIWKSVMKSTPAGFLPVVHHAVNLRKKMDPPLQDVSFGNLSV...
0
15,384
78,971
UN
78,971
Q55982
C/C(=C\C(=O)[O-])CCOP(=O)([O-])[O-].[H+]>>C=C(C)CCOP(=O)([O-])[O-].O=C=O
4.1.1.126
C/C(=C\C(=O)O)CCOP(=O)(O)O>>C=C(C)CCOP(=O)(O)O.O=C=O
MDCMSLPRLILTLGDPAGIGPEVVLKALAEPGLASICQLTAIGSRSVLDQTRRQLLAQNPGLNLADPETINLLEVDLSYLGKITVGQGDAVSGAISFAYLNEAITRTLAGEFDAIVTAPIAKSAWQAAGHNYPGQTEVLAHRAGVESFAMAFVGRSPFTGWTLRTLLATTHIPLKEVPQALTPQLMTAKLELLLTCLAQDFGISNPSVAIAGLNPHSGEEGKLGSEEQDWLIPWLEQARKKYPQAQLIGPIPPDTMWVGPGKAWLTDGQTTVSDAYLALYHDQGLIPVKLLAFDQAINTTIGLPFVRTSPDHGTAFDIAG...
0
15,385
76,427
UN
76,427
Q17CS8
CCCC[C@H](O)C1=C(CO)C2=C(C=C1)C[C@H](C(C)(C)O)O2.*>>CCCCC(=O)C1=C(CO)C2=C(C=C1)C[C@H](C(C)(C)O)O2.[H]*[H]
null
CCCC[C@H](O)c1ccc2c(c1CO)O[C@@H](C(C)(C)O)C2>>CCCCC(=O)c1ccc2c(c1CO)O[C@@H](C(C)(C)O)C2
MMFLRNHNSVGGAIRTAVVLQDLQFIVSNKSSALTGAVSSVHRQQIRTMSSTSNETMHNKFDLPKRYQGSTKSVWVEYIQLAAQYKPLNLGQGFPDYHAPKYALDALAAAANSPDPLANQYTRGFGHPRLVQALSKLYSQLVDRTINPMTEVLVTVGAYEALYATIQGHVDEGDEVIIIEPFFDCYEPMVKAAGGIPRFIPLKPNKTGGTISSADWVLDNNELEALFNEKTKMIIINTPHNPLGKVMDRAELEVVANLCKKWNVLCVSDEVYEHMVFEPFEHIRICTLPGMWERTITIGSAGKTFSLTGWKIGWAYGPEA...
0
15,386
64,856
UN
64,856
P29703
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]>>[H][C@@]12CCC(C)=C3CC[C@H](C)[C@]31C[C@@]1(C)CCC(C)(C)[C@]12[H].O=P([O-])([O-])OP(=O)([O-])O
4.2.3.222
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>CC1=C2CC[C@H](C)[C@]23C[C@@]2(C)CCC(C)(C)[C@H]2[C@@H]3CC1.O=P(O)(O)OP(=O)(O)O
MEEYDYSDVKPLPIETDLQDELCRIMYTEDYKRLMGLARALISLNELSPRALQLTAEIIDVAPAFYTIWNYRFNIVRHMMSESEDTVLYLNKELDWLDEVTLNNPKNYQIWSYRQSLLKLHPSPSFKRELPILKLMIDDDSKNYHVWSYRKWCCLFFSDFQHELAYASDLIETDIYNNSAWTHRMFYWVNAKDVISKVELADELQFIMDKIQLVPQNISPWTYLRGFQELFHDRLQWDSKVVDFATTFIGDVLSLPIGSPEDLPEIESSYALEFLAYHWGADPCTRDNAVKAYSLLAIKYDPIRKNLWHHKINNLN
0
15,387
64,164
UN
64,164
Q9Z1M5
C[C@]([NH3+])(CO)C(=O)[O-]>>C[C@H]([NH3+])C(=O)[O-].[H]C([H])=O
null
C[C@](N)(CO)C(=O)O>>C=O.C[C@H](N)C(=O)O
MRVVVIGAGVIGLSTALCICERYHSVLQQLDLRVYADRFTPLTNTDVAAGLWQPYLSGPDNPQEVEWNQQTFDYLLSHIHSPNAEQMGLALVSGYNLFREAVPDPFWKNMVLGFRKLTPRELDVFPDYGYGWFHTSLIIEGKSYLAWLTERLTERGVKFFQRKVESLEEVARGGADVIINCTGVWAGALQPDPLLQPGRGQIIKVNAPWIKHFILTHDPERGIYKSPYIIPGIQEVTLGGIFQLGNWNEINSTQDHNTIWKGCCSLEPTLRNARIVGEYTGFRPVRPQLRLEREQLRVGSANTEVIHNYGHGGYGLTIHW...
0
15,388
80,847
UN
80,847
Q96565
C[NH2+][C@@H](CC1=CNC2=C1C=CC=C2)C(=O)[O-].C[S+](CC[C@H]([NH3+])C(=O)[O-])C[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1O>>C[NH+](C)[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)[O-].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CSCC[C@H]([NH3+])C(=O)[O-])[C@@H](O)[C@H]1O.[H+]
null
CN[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>CN(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O
MDKISAPFFSGTSPAAASVAGVDEDDRLCFQAQELMFAYNISMVLRAAIQLGLLDALSAAGGKALTPNELVENVETSSNKAEAAAAVDRILRYLSCFNVVTCSSEAAGPDGTLVRRYTTGPLCRWLTKDRGDGTLSPFAVFVVDPDHLFPWHHIAEAVTAGGPSAFERTQKWPYYEYMGKNQRLGTLFDNAMAQHSVILVTKMLERFKGFDGVQRLVDVGGGTGSTLGMITSKYKHMTGINYDLPHVIAQGLPLPGVEHVAGDMYESIPTGDAVLLQWITLMLNDDEFVKILSNCHNALPKDGKVIVVDGILPENPDSSL...
0
15,389
80,499
UN
80,499
Q1CKG2
[H][C@@]1(C(=O)[O-])CC[NH2+]1.[H]O[H]>>[NH3+]CCC(O)C(=O)[O-]
null
O.O=C(O)[C@@H]1CCN1>>NCCC(O)C(=O)O
MKIDLNADLGEGCANDQALLQLVSSANIACGFHAGDAQTMRQSVRWALEYGVAIGAHPSFPDRENFGRTAMQLPPETVYAQVVYQLGALAAIVQVEGGVMQHVKPHGMLYNQAAVDPLLADAIAQAVKAVDPSLRLVGLAGSELIRAGTRVGLVTRQEVFADRHYQPDGTLVPRSQPDALIESDELALSQTLAMVQQHQVQACDGSWVQVQADTVCVHGDGVQALAFARCLRDRFQQEGISVIAQ
0
15,390
65,820
UN
65,820
P46312
*N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCC)C(*)=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.O=O.[H+].[H+]>>*N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC=C)C(*)=O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H].[H]O[H]
null
*N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCC)C(*)=O.O=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1>>*N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC=C)C(*)=O.O.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1
MASRIADSLFAFTGPQQCLPRVPKLAASSARVSPGVYAVKPIDLLLKGRTHRSRRCVAPVKRRIGCIKAVAAPVAPPSADSAEDREQLAESYGFRQIGEDLPENVTLKDIMDTLPKEVFEIDDLKALKSVLISVTSYTLGLFMIAKSPWYLLPLAWAWTGTAITGFFVIGHDCAHKSFSKNKLVEDIVGTLAFLPLVYPYEPWRFKHDRHHAKTNMLVHDTAWQPVPPEEFESSPVMRKAIIFGYGPIRPWLSIAHWVNWHFNLKKFRASEVNRVKISLACVFAFMAVGWPLIVYKVGILGWVKFWLMPWLGYHFWMSTF...
0
15,391
69,340
UN
69,340
Q8MI17
C/C=C/SO>>CC/C=[S+]\[O-]
5.3.99.12
C/C=C/SO>>CC/C=[S+]\[O-]
MADLPTPLTNLKIQYTKIFINNEWHDSVSGKKFPVLNPATEEQICLIEEGDKADVDKAVKAARQAFQIGSPWRTMDASERGRLLYKLADLIERDRLLLATMESLNAGKLFPNAYLMDLGGCIKTLRYCAGWADKIQGRTMPMDGDFFCYTRHEPVGVCGQIIPWNFPLVMLIWKIGPALSCGNTVIVKPAEQTPLTALHVASLIKEAGFPPGVVNIVPGYGPTAGAAISSHMDIDKVAFTGSTEVGKLIKEAAGKSNLKRVTLELGGKSPCIVFADADLDNAVEFAHQGVFYHQGQCCIAASRLFVEESIYDEFVRRSVE...
0
15,392
47,044
UN
47,044
Q9D0K2
C[N+](C)(C)CC(=O)CC(=O)[O-].CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]>>CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[N+](C)(C)C.CC(=O)CC(=O)[O-]
2.3.1.317
CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.C[N+](C)(C)CC(=O)CC(=O)O>>CC(=O)CC(=O)O.CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[N+](C)(C)C
MAALKLLSSGLRLGASARSSRGALHKGCVCYFSVSTRHHTKFYTDPVEAVKDIPNGATLLVGGFGLCGIPENLIGALLKTGVKDLTAVSNNAGVDNFGLGLLLRSKQIKRMISSYVGENAEFERQFLSGELEVELTPQGTLAERIRAGGAGVPAFYTSTGYGTLVQEGGSPIKYNKDGSVAIASKPREVREFNGQHFILEEAITGDFALVKAWKADRAGNVIFRKSARNFNLPMCKAAGTTVVEVEEIVDIGSFAPEDIHIPKIYVHRLIKGEKYEKRIERLSLRKEGDGKGKSGKPGGDVRERIIKRAALEFEDGMYAN...
0
15,393
22,984
UN
22,984
Q9CF79
NC(=O)C(=O)[O-].NC(=O)OP(=O)([O-])[O-]>>NC(=O)NC(=O)C(=O)[O-].O=P([O-])([O-])O
2.1.3.5
NC(=O)C(=O)O.NC(=O)OP(=O)(O)O>>NC(=O)NC(=O)C(=O)O.O=P(O)(O)O
MSVKNGLVQLENLTSMEKLSVDEVMGLIKRASAFKAGTAEFDLEKQTFASNLFFENSTRTHHSFHIAERKLGLDVLEFDAQASSISKGETLYDTVLTLDALGVDICVIRSGVEHYYEELVNSDNIHCAIVNGGDGSGQHPSQCLLDLMTIYEEFGKFEGLKIAISGDLTHSRVAKSNMMMLQKLGARLYFTGPAAWYSEEFDDYGHYANLDRILPELDVHMLLRVQHERHDSGESFSKEGYHNHFGLTEERAKMLKPTAIIMHPAPVNRGVEIADSLVESPQSRIVQQMSNGVYTRMAILEAILAGKKAK
0
15,394
81,495
UN
81,495
P70584
CCCC[C@@H](C)[C@H](O)[C@H](C)C(=O)/C(C)=C/[C@@H](OC)[C@@H](O)[C@@H](OCC)C(=O)N[C@H](CC1=CC=C(O)C(Cl)=C1)C(=O)[O-].CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N3C=NC4=C3N=CN=C4N)[C@H](O)[C@@H]1O)C1=NC(=O)[N-]C(=O)C1=N2.[H+].[H+]>>CCCC[C@@H](C)[C@H](O)[C@H](C)C(=O)/C(C)=C/[C@@H](OC...
4.1.1.129
CCCC[C@@H](C)[C@H](O)[C@H](C)C(=O)/C(C)=C/[C@@H](OC)[C@@H](O)[C@@H](OCC)C(=O)N[C@H](Cc1ccc(O)c(Cl)c1)C(=O)O.Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)c2cc1C>>CCCC[C@@H](C)[C@H](O)[C@H](C)C(=O)/C(C)=C/[C@@H](OC)[C@@H](O)[C@@H](OCC)C(=O)N/C=...
MAVSAFQLWRAGGLLRRNFLTHSSSWKIPPRVLKSSQPEALLSVTNNALCFAPLQTFTDEDIMMQKAVKKFAQEQIAPLVSTMDENSKMEKSVIQGLFQQGMMGIEVEAKYGGTEASFLCSVLVIEELAKVDASVALLCDIQNTVINKLFRKHGTEEQKATYLPKLVTEKLGSFCLSEAGAGSDSFALKTRADKSGNYYVINGSKMWISNAEHAELFLVFANVDPPSGYRGITCFLVDRDTEGFQIGRRENKMGIRASSTCQLTFENVKVPETSVLGKIGHGYKYAIGSLNEGRIGIAAQMLGLAQGCFDYTIPYIKERM...
0
15,395
79,219
UN
79,219
A0A3G9H185
CSC1=NC(CCC(=O)[O-])=C(O)N1.[H]O[H]>>O=C([O-])CCC1NC(=O)NC1=O.CS
null
CSc1nc(CCC(=O)O)c(O)[nH]1.O>>CS.O=C(O)CCC1NC(=O)NC1=O
MTKLPSDASAIKRVEANTSPEQVIELLKQDGVVVLKDFLDQATVQSFREEIKPAIDDFEGGPNFNPDGVKVDIGRGTKHVANLTAISKTYRHDILNNKWMHSILEPLFRPHFGDYWMNRGSVLHIEPGEPAQNLHRDDILYRVTKLRQPGDPDLMINILIAVTEFRDDNGATRFVPGSHVWDDTRGVPTPDQASSAALRPGDALLFVGSLWHGAGSNQSDAFRQGLLLCIHPCHFTPMESHLHVPRTIVESMTPQAQKMIGWRSGITQHDVPIWLAGDHKMEETMGLRSQEVQ
0
15,396
77,183
UN
77,183
Q58992
O=C[C@H]1O[C@@H](N2C=CC(=O)NC2=O)[C@H](O)[C@@H]1O.C[C@@H](O)[C@H]([NH3+])C(=O)[O-]>>[H][C@]1([C@@H](O)[C@H]([NH3+])C(=O)[O-])O[C@@H](N2C=CC(=O)NC2=O)[C@H](O)[C@@H]1O.[H]C(C)=O
null
C[C@@H](O)[C@H](N)C(=O)O.O=C[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O>>CC=O.N[C@H](C(=O)O)[C@H](O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O
MEYSDVPKFIRDVSIKQHEWMRESIKLIASENITSLAVREACATDFMHRYAEGLPGKRLYQGCKYIDEVETLCIELSKELFKAEHANVQPTSGVVANLAVFFAETKPGDKLMALSVPDGGHISHWKVSAAGIRGLKVINHPFDPEEMNIDADAMVKKILEEKPKLILFGGSLFPFPHPVADAYEAAQEVGAKIAYDGAHVLGLIAGKQFQDPLREGAEYLMGSTHKTFFGPQGGVILTTKENADKIDSHVFPGVVSNHHLHHKAGLAIALAEMLEFGEAYAKQVIKNAKALAQALYERGFNVLCEHKDFTESHQVIIDIE...
0
15,397
56,304
UN
56,304
C5A5L9
CO[C@H]1/C=C/O[C@@]2(C)OC3=C(C2=O)C2=C(O)\C(/C=N/N4CC[NH+](C)CC4)=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)/C(O)=C\2C(/[O-])=C\3C.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O.[H]O[H]>>CO[C@H]1/C=C/O[C@@]2(C)OC3=C(C2=O)C2=C(O)\C(/...
2.7.9.6
CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O>>CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C...
MLLHIGIDDTDSPNGMCTTYLGALLYREISRLAEPTDLPRLIRLNPNIPYKTRGNGAVAMTFEVDEEAVPEVKDLVLFYVNQLADFTHENTNPGVVFFEGEIPEELQEFSLKALREHVTIEEAERVAREVGAEFFKFKLGRGIIGALASIGYPLERFTYELLAYREPENWGTPRKVDAESVFLADRWSYPFTYDNVDPYKRTILIAPHGKDPVLVGLRGIDRGRVLQTFEMVRFGEPVAFYQLYKTNQNTDDHLTPKKIGELKLYDSAVVRGRVSKPYWERGRHVFFELEDETGKIRVAAFEPTKKFRNYVRKLLPGDEI...
0
15,398
79,847
UN
79,847
B7NB91
*P(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OC(=O)[C@@H](N)CC1=CC=C(O)C=C1.*P(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+]>>NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@H](CC2=CC=C(O)C=C2)NC1=O.*P(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O.*P(=O)...
null
*P(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OC(=O)[C@@H](N)CCCNC(=N)N.*P(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OC(=O)[C@@H](N)Cc1ccc(O)cc1>>*P(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.*P(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2c...
MASSNLIKQLQERGLVAQVTDEEALAERLAQGPIALYCGFDPTADSLHLGHLVPLLCLKRFQQAGHKPVALVGGATGLIGDPSFKAAERKLNTEETVQEWVDKIRKQVAPFLDFDCGENSAIAANNYDWFGNMNVLTFLRDIGKHFSVNQMINKEAVKQRLNREDQGISFTEFSYNLLQGYDFACLNKQYGVVLQIGGSDQWGNITSGIDLTRRLHQNQVFGLTVPLITKADGTKFGKTEGGAVWLDPKKTSPYKFYQFWINTADADVYRFLKFFTFMSIEEINALEEEDKNSGKAPRAQYVLAEQVTRLVHGEEGLQAA...
0