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 |
|---|---|---|---|---|---|---|---|---|---|
15,601 | 74,067 | UN | 74,067 | P24173 | *C(=O)O[C@H](*)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](*)OC(*)=O.[H][C@]1([C@@H](O)CO)... | 2.4.99.23 | *C(=O)O[C@H](*)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](*)OC(*)=O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O... | MRVLIVKTSSMGDVLHTLPALTDAQQAIPGIKFDWVVEEGFAQIPSWHAAVERVIPVAIRRWRKAWFSAPIKAERKAFREALQAENYDAVIDAQGLVKSAALVTRLAHGVKHGMDWQTAREPLASLFYNRKHHIAKQQHAVERTRELFAKSLGYSKPQTQGDYAIAQHFLTNLPTDAGEYAVFLHATTRDDKHWPEEHWRELIGLLADSGIRIKLPWGAPHEEERAKRLAEGFAYVEVLPKMSLEGVARVLAGAKFVVSVDTGLSHLTAALDRPNITVYGPTDPGLIGGYGKNQMVCRAPRENLINLNSQAVLEKLSSL | 1 |
15,602 | 29,775 | UN | 29,775 | C1D7Y5 | 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 | MRYAVYLAPPPASRFWQLGSAWLGRDAWLNRPVALPSGWSAADADRVAAAARYGWHATLRAPFALAEGASEAAVHATLRTLARRFATFGLTLAPATLNGFAALRPVSGQSQVAELATAALLALDALAAPAPLRTGLSAREAELCRRWGYPYVFECYRCHFTLTSQLDEVDIPSWLARAAAHFDGALYQPVEGLALFVEPEAGAAFRLCRLVWLLMAGSTSMRTETGQLIYVMGPSGAGKDSLLGYARERLAGQPLVFAHRYITRPATAGSENHVALSEAEFALREAHGCFALSWRRNGLAYGLGCEVTDWLAAGLVVVVN... | 0 |
15,603 | 77,079 | UN | 77,079 | Q9RDS6 | 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 | MDKQQEFVIRTLEERDIRFVRLWFTDVLGFLKSVAVAPAELEQAFDEGIGFDGSAIEGFARVYESDMIAKPDPSTFQVLPWRAEAPGTARMFCDILMPDGSPSFADPRYVLKRALARTSDLGFTFYTHPEIEFFLLKDKPVDGSVPTPADNSGYFDHTPQNIGMDFRRQAITMLESMGISVEFSHHEGAPGQQEIDLRYADALSTADNVMTFRLVMKQVALEQGLQATFMPKPFSEYPGSGMHTHLSLFEGDRNAFYESGAEYQLSKVGRSFIAGLLRHAAEISAVTNQWVNSYKRIWGGTERTAGAGGEAPSYICWGHN... | 0 |
15,604 | 80,199 | UN | 80,199 | O52379 | 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@... | MSEPQRLKPVFPQDPKWPGEGSSRVPFWAYTREDLYKRELERLFYANHWCYVGLEAEIPNPGDFKRTVIGERSVIMVRDPDGGINVVENVCAHRGMRFCRERHGNAKDFFCPYHQWNYSLKGDLQGVPFRRGVKQDGKVNGGMPKDFKLEEHGLTKLKVAARGGAVFASFDHDVEPFEEFLGPTILHYFDRVFNGRKLKILGYRRQRIPGNWKLMQENIKDPYHPGLLHTWFSTFGLWRADNKSELKMDAKFRHAAMISTRGQGGKNEEVVSGVDSFKEQMKVNDPRLLDIVPEPWWGGPTAVMTTIFPSVIIQQQVNSV... | 0 |
15,605 | 80,499 | UN | 80,499 | A9M3F3 | [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 | MKQVDLNADLAEGCGSDEALLQLITSANIACAQHAGSIADIRAALAYAQQNGVRIGAHPGYPDRENFGRTEMNLSEADLRACLNYQLGALQALCRDQGLEMAYVKPHGAMYNQAAKNRALADTVARIVADFDPKLKLMALSGSLLLEAGKAAGLGVISEVFADRRYMPDGTLVPRSRPDAQVDSDEEAIAQVLQMVRDGRVKAVNGSLVAVQADSICLHGDGPHAVVFAEKIRQELLAAGIKVSA | 0 |
15,606 | 75,907 | UN | 75,907 | Q0WNY5 | [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 | MSNESTNCSFFLNLFMLLLLLIFYSADACQRECGGISIPYPFGIGKDCCLEKYYEIECRNTTSRKLVPLLSFINKEVVSISLPSADSHFAYEVSDQERHESFGLVRVKFPITSAGCFNDGKESGGGSKMNFTGSPFFIDRSNSLIAAGCNSKVSLMYIKPKMVGCELSCNTSKDSYSNSIPFVEAGCSSNVLPYSQDQGCPEEIAEETGCNGIGCCQASLPNEPQQVIGIRTENNDGNSTTKVECTVSAFLTDEIYALPKATKTEHLLAKRYATVSLGWVIQTSNRSFLDSLALACKDREDYRNTTNLERKCTCGRITIS... | 0 |
15,607 | 77,075 | UN | 77,075 | A0A0S1TPC7 | 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)[... | MQVLILLSLAFLASCVVAYSRRRPGGRGAGDLPPGPPRLPIIGNMLQLGQNPHKSLAHLAKTYGPLMSLKLGNQFVVVVSSPEMAREVLQRHGLVFSRPFTPIAVQILGHGEVSMNMLPATSPIWKKIRKIAREKLFSNQALHATRAVRRERLRKLADYVGRCSGAMNVGEATFTTMSNLMFATLFSVEITQYADSDSDSGVNKKFREHVNAITRYMGVPNIADFFPIFAPFDPQGLRRKLTYHLGSLLELVQSLIEQRLRARNAATYRKKDDFLEMLLDLSEGDEYDLSVNEIKHLCVDLIIAGSDTSAATTEWAMVEL... | 0 |
15,608 | 29,775 | UN | 29,775 | Q6D9W6 | 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 | MTKLIYLIGPSGAGKDSLLRAIRQLPLPRLLVAHRYITRPAEIQGENHIALTPEEFAIRQQLGIFALDWQAHQCHYGIGIEIDYWLQRGSYVIVNGSRAYLTQARERYGNTLFPICLTVSESALRQRLRARGRESEQQIATRLQRAEDEQSRLQSDCILLNNDGDLQRTLSTFQSLLPFDRACAAHRE | 0 |
15,610 | 79,431 | UN | 79,431 | Q675A5 | 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 | MDRHLCICREIQLRSGLLFPFLLLMMLADLALPAQRHPPVVLVPGDLGNQLEAKLDKPKVVHYLCSKRTDSYFTLWLNLELLLPVIIDCWIDNIRLVYNRTSRTTQFPDGVDVRVPGFGETFSLEFLDPSKRNVGSYFYTMVESLVGWGYTRGEDVRGAPYDWRRAPNENGPYFLALQEMIEEMYQMYGGPVVLVAHSMGNMYMLYFLQRQPQAWKDKYIQAFVSLGAPWGGVAKTLRVLASGDNNRIPVIGPLKIREQQRSAVSTSWLLPYNHTWSHEKVFVYTPTANYTLRDYHRFFQDIGFEDGWFMRQDTQGLVEA... | 0 |
15,611 | 75,263 | UN | 75,263 | Q6TGQ9 | O=C1C=C(C2=CC=C(O)C=C2)OC2=C1C(O)=C([C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C([O-])=C2.O=O>>O=C1C=C(C2=CC=C(O)C=C2)OC2=C1C(O)=C([C@@H]1O[C@H](CO)[C@@H](O)C(=O)[C@H]1O)C([O-])=C2.[H]OO[H] | 1.1.3.50 | O=O.O=c1cc(-c2ccc(O)cc2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12>>O=C1[C@@H](O)[C@H](c2c(O)cc3oc(-c4ccc(O)cc4)cc(=O)c3c2O)O[C@H](CO)[C@H]1O.OO | MNVFFMFSKPGKLADDRNPLEECFRETDYEEFLEIAKNGLSTTSNPKRVVIVGAGMSGLSAAYVLANAGHQVTVLEASERAGGQVKTYRNEKEGWYANLGPMRLPEKHRIVREYIRKFGLQLNEFSQENENAWYFIKNIRKRVGEVNKDPGVLDYPVKPSEVGKSAGQLYEESLQKAVEELRRTNCSYMLNKYDTYSTKEYLLKEGNLSPGAVDMIGDLLNEDSGYYVSFIESLKHDDIFAYEKRFDEIVGGMDKLPTSMYQAIQEKVHLNARVIKIQQDVKEVTVTYQTSEKETLSVTADYVIVCTTSRAARRIKFEPP... | 0 |
15,612 | 81,495 | UN | 81,495 | Q9JHI5 | 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=... | MATAIRLLGRRVSSWRLRPSPSPLAVPRRAHSILPVDDDINGLNEEQKQLRHTISKFLQENLAPKAQEIDQTNDFKNLREFWKQLGSLGVLGITAPVQYGGSGLGYLEHVLVMEEISRASGAVGLSYGAHSNLCVNQIVRNGNEAQKEKYLPKLISGEFIGALAMSEPNAGSDVVSMKLKAEKKGDHYVLNGNKFWITNGPDADILVVYAKTDLTAVPASRGITAFIVEKGMPGFSTSKKLDKLGMRGSNTCELVFEDCKVPAANVLSQESKGVYVLMSGLDLERLVLAGGPLGIMQAVLDHTIPYLHVREAFGQKIGQF... | 0 |
15,613 | 75,903 | UN | 75,903 | O65483 | [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 | MVKFLVIFWFVVISFSHVSAQVCLERSGFFTPNSTYDLNRRVLLSSLPLNVTAIDGFYTTWIGEHPNRAYGLGMCVPGTDAHSCSDCIILANARLLQNCTNQTEAIVWRIDRTVCLVRYSNRSFYSSLGMEILRSDNYTRDFQANLTDLEITWEALMIRMIDQASYLYYAAGIRKLETSISRIYGFVQCSRDLSLQNCTKCLQQNVVEYRSCCRGRQGGIILRPSCFIRWELYPFLGLFDNIRPRQKDGKSISTGAIVAIIVVPILLLALGVGLWKRRKAYKTKTTKIADDITTSGSLQFEFKAIEAATCNFHNVNKLGH... | 0 |
15,614 | 79,227 | UN | 79,227 | A1DJ20 | [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 | MTIHPQNHDLPTGSAMKATPFEALDLVFHFEDQAQRQWWKQAGPVLGQHLLLANYDINKQYQYLCFFGHHIIPILGPGPGSGYDYHPLEISQNFQRSGSTIRLGFQPRAYSSCVSPQDPFGELSTEEAMARLGQVTGVELDLQPYHLLASHLNLTKKEEKEMLQPTCYNSLSPSFKTQGLLAVELPRTGSITLKGYWFLSAKSMVTKTPISELSFQAFRNIDHGKDLLVPALRPIEEYFAEMKMKPANPTTPQTTEFATVACDHVDMSRTRFKLYLYECLWKYDRLADIYTLGGRLKNAPGIAEGLELLREIWSILQIPE... | 0 |
15,615 | 78,231 | UN | 78,231 | Q20679 | *O[C@H]1[C@@H](O)[C@H](N2C=C(CN[C@H]3C=C[C@H](O)[C@@H]3O)C3=C2N=C(N)NC3=O)O[C@@H]1COP(*)(=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>>*O[C@H]1[C@@H](O)[C@H](N2C=C(CN[C@H]3C=C[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C3=C2N=C(N)... | null | *O[C@H]1[C@@H](O)[C@H](n2cc(CN[C@H]3C=C[C@H](O)[C@@H]3O)c3c(=O)[nH]c(N)nc32)O[C@@H]1COP(*)(=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>>*O[C@H]1[C@@H](O)[C@H](n2cc(CN[C@H]3C=C[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c3c(=O)[nH]c(N)nc... | MRVLPFLLPLIPVLLATTITDLPELVVVTVATENTDGLKRLLESAKAFDINIEVLGLGEKWNGGDTRIEQGGGQKIRILSDWIEKYKDASDTMIMFVDAYDVVFNADSTTILRKFFEHYSEKRLLFGAEPFCWPDQSLAPEYPIVEFGKRFLNSGLFMGYGPEMHKILKLKSVEDKDDDQLYYTMIYLDEKLRKELNMDLDSMSKIFQNLNGVIEDVELQFKEDGTPEAYNAAYNTKPLIVHGNGPSKSHLNYLGNYLGNRWNSQLGCRTCGLEVKESEEVPLIALNLFISKPIPFIEEVLQKIAEFDYPKEKIALYIYN... | 0 |
15,616 | 46,568 | UN | 46,568 | P22243 | *N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCC=C)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)CCCC#C)C(*)=O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H].[H]O[H] | 1.14.19.40 | *N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCC=C)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)CCCC#C)C(*)=O.O.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1 | MALRITPVTLQSERYRSFSFPKKANLRSPKFAMASTLGSSTPKVDNAKKPFQPPREVHVQVTHSMPPQKIEIFKSIEGWAEQNILVHLKPVEKCWQAQDFLPDPASEGFDEQVKELRARAKEIPDDYFVVLVGDMITEEALPTYQTMLNTLDGVRDETGASLTPWAVWTRAWTAEENRHGDLLHTYLYLSGRVDMRQIQKTIQYLIGSGMDPRTENSPYLGFIYTSFQERATFVSHGNTARHAKDHGDVKLAQICGTIASDEKRHETAYTKIVEKLFEIDPDGTVLAFADMMRKKISMPAHLMYDGRDDNLFEHFSAVAQ... | 0 |
15,617 | 79,687 | UN | 79,687 | A0A2Z6FZ31 | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]>>[H][C@@]12C/C=C(/C)[C@]3([H])CC[C@H](C)[C@]3([H])C[C@@]1(C)CC[C@]1(C)CC[C@H](C(=C)C)[C@]12[H].O=P([O-])([O-])OP(=O)([O-])O | null | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>C=C(C)[C@H]1CC[C@@]2(C)CC[C@]3(C)C[C@H]4[C@@H](C)CC[C@H]4/C(C)=C\C[C@H]3[C@H]12.O=P(O)(O)OP(=O)(O)O | MANPPVTEWKQSEAIPAHVAQETGCFTTLPIRIHKNNSIADQATLESINDWKQHLDDGWESRSGSAISKVGNWCSFIFSEALPERLPCITYLANIGNIHDDATEDATLDEAITSHAQFSTALSLDTDDEPSLQEAKTRRFRHLVSNCVLEILSIDRDMGTRMIVSYQKKWLDVMEHLNYEGIESLEEYLEFRMLNGGMEPFWLMCQFGMGLNIPDAELAPTRHIFEPAEWALVLTNDYWSWGREYNASLTKGSRIVNSIELLSRLRNISYDEAKEVVRDLITTYEAEYERRVQDFLRENPSTQMYLRQFIEVAGLVVAGN... | 0 |
15,618 | 79,315 | UN | 79,315 | B5YWV3 | [H][C@]12C[C@@H](O)[C@]3([H])[C@@]([H])([C@](C)(CCC=C(C)C)O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](CO)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]21C.[H]O[H]>>OC[C@@H]1OC(O)[C@H](O)[C@H]1O.[H][C@]... | null | CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C.O>>CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)... | MEKRKIILDCDPGHDDAIAIMMAAKHPAIDLLGITIVAGNQTLDKTLINGLNVCQKLEINVPVYAGMPQPIMRQQIVADNIHGDTGLDGPVFEPLTRQAESTHAVKYIIDTLMASDGDITLVPVGPLSNIAVAMRMQPAILPKIREIVLMGGAYGTGNFTPSAEFNIFADPEAARVVFTSGVPLVMMGLDLTNQTVCTPDVIARMERAGGPAGELFSDIMNFTLKTQFENYGLAGGPVHDATCIGYLINPDGIKTQEMYVEVDVNSGPCYGRTVCDELGVLGKPANTKVGITIDSDWFWGLVEECVRGYIKTH | 0 |
15,619 | 66,920 | UN | 66,920 | A4Y494 | O=S(=O)([O-])C[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O.[H]C(=O)[C@H](O)[C@H](O)COP(=O)([O-])[O-]>>[H]C(=O)[C@H](O)CS(=O)(=O)[O-].O=C(CO)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-] | 2.2.1.14 | O=C[C@H](O)[C@H](O)COP(=O)(O)O.O=S(=O)(O)C[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O>>O=C(CO)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O.O=C[C@H](O)CS(=O)(=O)O | MANTLEQLKSYTTIVADTGDIEAIKRYQPEDATTNPSLILKAAQIPEYSYLIDNAIAWAQTQSTELEQQIDDASDKLAVNIGVEILKLVPGRISTEVDARLSFDKEKSIAKAHKLVRLYQEAGIDKSRILIKLASTWEGICAAKELEQEGINCNLTLLFSFAQARACAEAGVYLISPFVGRILDWYKKDTGKDYAPANDPGVVSVTEIYNYYKQHGYNTVVMGASFRNIGEIIELAGCDRLTIGPSLLEELANSQAQIQAKLLPATTTVAAETPLTEAQFRWDFNQDPMAVEKLAEGIRNFAIDQGKLEVMLKAKLSN | 0 |
15,620 | 74,156 | LR | 74,155 | Q1QYW1 | [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[NH2+]CC(=O)[O-].[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.[H]C([H])=O.[NH3+]CC(=O)[O-].[H+].[H+] | 1.5.7.3 | CNCC(=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.NCC(=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 | MAFDALFKPIEIGNLTIRNRVVSTAHAEVHATDGGMTTERYVKYYEEKAKGGCGLCICGGSSPVSIDSPQAWWSSVNISTDRIIPHFQNLADAVHKHGGKIMIQITHMGRRSRWDGFDWPTLLSPSGIREPVHRSTCKTIEEEEIWRVIDDFAQGARRVKEGGLDGIELSAVHQHLIDQFWSPRVNKREDQWGGSFENRMRFGLEVLKAVRAEVGDDFVVGLRICGDEFHPDGLTHDDMKRIAAYYDATGMVDFFGVVGSGCDTHNTLANVIPNMSYPPEPFLHLAAGVKDVVSVPVIHAQNIKDPNQASRILEGGYVDL... | 1 |
15,621 | 80,323 | UN | 80,323 | Q6T1W7 | [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)OC(=O)C[C@H](O)[C@]21C.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@]12CC[C@]3(C)C(=CC[C@@]3([H])[C@@H]3C[C@H]([C@... | 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)OC(=O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]21C.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>>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]... | MSSSSETCFVHPNAIVETKKIGNNTRIWAFVHILPQAMIGDNCNICDHCFIENDVFIGNNVTVKSGIYIWDGVYIEDNVFLGPNVVFTNDVFPRSKVYPESFGRTIVKKGASIGANSVIVAGNIIGEYAMVGAGSVVTRDIPDYALAYGNPARIKGYVCQCTSKLKFIDNQAVCQCGKRYKYADGIVSQLII | 0 |
15,622 | 65,808 | UN | 65,808 | P48629 | *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 | MESAITISNHVNLAFSLSRNPSLSTKNSAGISCIKWQRPCLRNLGHVRLNQQRKGTRRKSTLVQAVAVPVAQPSAFPPTDNTEHLKQLAERYGFQQIGEPLPDDVTMRDIITSLPKQVFEINDTKAWGTVLISVTSYALGIFMIAKAPWYLLPLAWAWTGTAITGFFVIGHDCAHKSFSKNKLVEDIVGTLAFMPLIYPYEPWRFKHDQHHTKTNMLREDTAWLPIMKEDIESSPGLRKALIYAYGPLRTWMSIAHWLKVHFNLKDFRQSEVKRATISLAAVFAFMVIGWPLIIYKTGIVGWIKFWLMPWLGYHFWMSTF... | 0 |
15,623 | 22,984 | UN | 22,984 | Q8F812 | 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 | MYYNHKNVLDTEQFSKPDLDFLIGKIRVMERLVEQNKAFGILTGKLLASLFFEASTRTRLSFEAAMERLGGRVISTVGFQFSSISKGETLYDTMKMVEAYADIAVIRHPVEGSSRIAAGAVKIPVINAGDGAGQHPTQAILDLYTIISEKGTLDGLTVAFIGDLKYGRTIHSLINLLRHYKVRLFLISPPELALPESYKKALQGYSLTLEETTDIKAVWDCDVAYVTRIQEERFPDHKEYERLKDLFKINKELILASKKETTVLHPLPRVNELSTDVDDLPNAAYFRQARYGVVSRMTLLCLSLGQDF | 0 |
15,624 | 75,907 | UN | 75,907 | Q9LSL5 | [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 | MLYFIFCQNLSSSSSMSNSILFLSLFLFLPFVVDSLYFNFTSFRQGDPGDIFYHGDATPDEDGTVNFNNAEQTSQVGWITYSKKVPIWSHKTGKASDFSTSFSFKIDARNLSADGHGICFFLAPMGAQLPAYSVGGFLNLFTRKNNYSSSFPLVHVEFDTFNNPGWDPNDVGSHVGINNNSLVSSNYTSWNASSHSQDICHAKISYDSVTKNLSVTWAYELTATSDPKESSSLSYIIDLAKVLPSDVMFGFIAAAGTNTEEHRLLSWELSSSLDSDKADSRIGLVIGISASGFVFLTFMVITTVVVWSRKQRKKKERDIE... | 0 |
15,625 | 45,700 | UN | 45,700 | D4AU57 | 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 | MNGTSTTGNGFTNGTNYPVPKLELQPETTSTSPTRAQTHPLLPSVSDDELHDLICVGFGPASLAIAIALHDRLLETAHSPDITTVPKICFLEKQSNFAWHSGMLLPGSKMQISFIKDLATIRNPRSEFTFLNYLQVHDRLLDFANLGTFLPARIEFEDYMKWCASKFANLVRYRTEVLDVTPSEVDPVTGKVHFFTVRSKVLETGEVTTRKARHVVVAIGGKPNIPAEFPTNSRIIHSSAYCTTLPSLLNNTLKEYSIAVAGSGQSAAEIFHDLQKRYPNAKTSLIMRDSALRPSDDSPFPSVNELFNPERVDQFFNQSE... | 0 |
15,626 | 79,295 | UN | 79,295 | Q3A3Z7 | [NH3+]CCCCCN(O)C(=O)CCC(=O)[O-].[NH3+]CCCCCN(O)C(=O)CCC(=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+]CCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(=O)CCC(=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+] | null | NCCCCCN(O)C(=O)CCC(=O)O.NCCCCCN(O)C(=O)CCC(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>NCCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(=O)CCC(=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 | MSESLYSIRMRSSCDERHISGAENLAPAERLHALASAMVRRALAHDKGQAEQIFLSIEKVDTADIVCHGLPDIRTIRVASVEQGRDAALSMLEKAGVNPQAARRAMATMARGAAPNGDSMRGAMLVDASTGQRLEKDRYRGVRVSRMDLDEQTSVRLKNLLQTAGLDNPHVREALVLAAKVIHAPGVIAELCWSDDPGYTAGYVAGASLGYVRFPLLKPAGEVRGGRAFFLSSDADLAQLIPYLERQVVLIDRIGRIFPDERWPA | 0 |
15,628 | 78,983 | UN | 78,983 | Q61239 | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]>>[H][C@@]12CC[C@H](C)[C@@]13CCC(C)=C3C[C@@]1(C)CCC(C)(C)[C@]12[H].O=P([O-])([O-])OP(=O)([O-])O | 4.2.3.224 | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>CC1=C2C[C@@]3(C)CCC(C)(C)[C@H]3[C@@H]3CC[C@H](C)[C@]23CC1.O=P(O)(O)OP(=O)(O)O | MAATEGVGESAAGGEPGQPEQPPPPPPPPPAQQPQEEEMAAEAGEAAASPMDDGFLSLDSPTYVLYRDRAEWADIDPVPQNDGPNPVVQIIYSEKFRDVYDYFRAVLQRDERSERAFKLTRDAIELNAANYTVWHFRRVLLRSLQKDLQEEMNYITAIIEEQPKNYQVWHHRRVLVEWLKDPSQELEFIADILSQDAKNYHAWQHRQWVIQEFRLWDNELQYVDQLLKEDVRNNSVWNQRHFVISNTTGYSDRAVLEREVQYTLEMIKLVPHNESAWNYLKGILQDRGLSRYPNLLNQLLDLQPSHSSPYLIAFLVDVYE... | 0 |
15,629 | 59,064 | UN | 59,064 | K0II72 | CC1=C([O-])OC(CC/C(C)=C/C(C)=C/C2=CC=C([N+](=O)[O-])C=C2)=C(C)C1=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>>COC1=C(C)C(=O)C(C)=C(CC/C(C)=C/C(C)=C/C2=CC=C([N+](=O)[O-])C=C2)O1.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CSCC[C@H]([NH3+])C(=O)[O-])[C@@H](O)[C@H]1O | 2.1.1.353 | CC(=C\c1ccc([N+](=O)[O-])cc1)/C=C(\C)CCc1oc(O)c(C)c(=O)c1C.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>COc1oc(CC/C(C)=C/C(C)=C/c2ccc([N+](=O)[O-])cc2)c(C)c(=O)c1C.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O | MGRDEEAAARAEAWNHGFGFIKTSVIKTAIELEIPDILHNHGAPLSLSALSSAVGVPPDRLHRIMRFLTHHGVSKKTASPPGESDYYYAETAVSRSLTKDNLGAFVLLQGAQRGPSACITAQGLKSRERPGVEELGSDPLYEDPIFTKMVFRDAMACHARLTTSAVIENYGEGFRGVGSLVDVGGSYGMTLGMLVEAFPWIRGICYDLPQVVAKAKPLHGVEFVAGSMFESVPEADVVMLMFVLHNWSDNECIDILKRCKEAIPRETGKVMIIDAIIEEDGEGDEFAEARLGLDVTMMAVTFEGKERTHREWAFILKEAG... | 0 |
15,630 | 74,148 | LR | 74,147 | Q9KJF4 | 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](... | MSEQKPNKKPEKKPDITFFHPDLLEAPADGRAPYLKGYRCKKCGQLDFPKLSPCPSCWGEEFEVVPLSRRGKLYSFSDNFIGQAGMKTPYSFGYIDLPENLRIFAQLEGAPGSFRCDDEVELTVGTVRDNRDGVPLISYKFRKI | 1 |
15,631 | 76,083 | UN | 76,083 | P04798 | CC1=C[C@H](O/C=C(C)\C=C\C2=C(C)CCCC2(C)C)OC1=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>>CC1=C[C@H](O/C=C(\C=C\C2=C(C)CCCC2(C)C)CO)OC1=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 | CC1=C[C@H](O/C=C(C)\C=C\C2=C(C)CCCC2(C)C)OC1=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>>CC1=C[C@H](O/C=C(\C=C\C2=C(C)CCCC2(C)C)CO)OC1=O.Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C.O | MLFPISMSATEFLLASVIFCLVFWVIRASRPQVPKGLKNPPGPWGWPLIGHMLTLGKNPHLALSRMSQQYGDVLQIRIGSTPVVVLSGLDTIRQALVRQGDDFKGRPDLYTFTLISNGQSMSFSPDSGPVWAARRRLAQNGLKSFSIASDPASSTSCYLEEHVSKEAEVLISTLQELMAGPGHFNPYRYVVVSVTNVICAICFGRRYDHNHQELLSLVNLNNNFGEVVGSGNPADFIPILRYLPNPSLNAFKDLNEKFYSFMQKMVKEHYKTFEKGHIRDITDSLIEHCQEKQLDENANVQLSDEKIINIVLDLFGAGFD... | 0 |
15,632 | 29,775 | UN | 29,775 | E1SHE4 | 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 | MARLIWLTGPSGSGKDSLLDALRAAPPPRLLIAHRYITRAADAGGENHVALTETEFDRRAALGLFAVSWEAHGFRYGIGCETEQWLLRGQNVVVNGSRLHLAQAQARFGSQLLPVCLQVTPAVLAARLRQRGREDEAEIARRLARAAQPQPDGCLILNNDGALAETVCQLRQILELHQ | 0 |
15,633 | 69,316 | UN | 69,316 | Q8IWU6 | C=CC/C([S-])=N/OS(=O)(=O)[O-]>>C=CCSC#N.O=S(=O)([O-])[O-] | 4.8.1.8 | C=CC/C(S)=N/OS(=O)(=O)O>>C=CCSC#N.O=S(=O)(O)O | MKYSCCALVLAVLGTELLGSLCSTVRSPRFRGRIQQERKNIRPNIILVLTDDQDVELGSLQVMNKTRKIMEHGGATFINAFVTTPMCCPSRSSMLTGKYVHNHNVYTNNENCSSPSWQAMHEPRTFAVYLNNTGYRTAFFGKYLNEYNGSYIPPGWREWLGLIKNSRFYNYTVCRNGIKEKHGFDYAKDYFTDLITNESINYFKMSKRMYPHRPVMMVISHAAPHGPEDSAPQFSKLYPNASQHITPSYNYAPNMDKHWIMQYTGPMLPIHMEFTNILQRKRLQTLMSVDDSVERLYNMLVETGELENTYIIYTADHGYH... | 0 |
15,634 | 79,571 | UN | 79,571 | O29313 | NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)[O-].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O.O=P([O-])([O-])O.[H+]>>NC(=O)NCCC[C@H]([NH3+])C(=O)[O-].[H][N+]([H])([H])[H].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 | null | N=C(N)NCCC[C@H](N)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)O>>N.NC(=O)NCCC[C@H](N)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 | MVRRLRGDCMEEVERAKAVLKENNVRQVLCAFADVRGYLQMFSIPAREFVDGSAFENGIGFDGSSVRGFRTIEKSDMVWMPDASSLKIIPWIDDPIQKSAIMFGNVYEAWGTEIADCDPRGYVAKRYEDMLKSEGMSAIFGPEIEFFLFEGVDFTRLSWDMWVSPNGGAGDSWGPPRIMPISSELESGYMIRPKEGYFRPPPEDTTVEYRNELVYYLEQLGIDIEYHHHEVATAGQVELDFKPKQLVDVGDAFYLYKFAAKNIAAMHGLYATFMPKPLYLDNASGMHTHQSLWKGEPFSGEAVFADPDDEYMLSQKARYY... | 0 |
15,635 | 58,824 | UN | 58,824 | Q96375 | 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 | MYASSARDGIPGKWCNARRKQLPLLISKDFPAELYHSLPCKSLENGHIKKVKGVKATLAEAPATPTEKSNSEVPQKKLKVLVAGGGIGGLVFALAGKKRGFDVLVFERDISAIRGEGQYRGPIQIQSNALAALEAIDMDVAEEIMNAGCITGQRINGLVDGISGNWYCKFDTFTPAVERGLPVTRVISRMTLQQILARLQGEDVIMNESHVVNFADDGETVTVNPELCQQYTGDLLVGADGIRSKVRTNLFGPSELTYSGYTCYTGIADFVPADIDTAGYRVFLGHKQYFVSSDVGGGKMQWYAFHNEPAGGVDAPNGKK... | 0 |
15,636 | 78,815 | UN | 78,815 | P49109 | [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 | MTKKRIAVIGGGVSGLSSIKCCLEEGLEPVCFERSADIGGLWRFQENPEEGRASIYKSVIINTSKEMMCFSDYPIPDHYPNFMHNSHVLEYFRMYAKEFGLLKYIQFKTTVCNVKKRPDFSTSGQWEVVTEHEGKTKVDVFDAVMVCTGHHTNAHLPLESFPGIEKFKGQYFHSRDYKNPEAFTGKRVVIIGIGNSGGDLAVEISHTAKQVFLSTRRGSWILNRVGKHGYPTDVLLSSRFTYFLSKILGQSLSNAYVEKQMNERFDHEMFGLKPKHRAMSQHPTVNDDLPNRIIAGMVKVKGNVKEFTETAAIFEDGSRE... | 0 |
15,637 | 65,820 | UN | 65,820 | 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.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 | MALRAKAEVCMAAPWLSLQRARALGTRATRVPRTVLPFEAMPRRPGNRWLRLLQIWREQGYEHLHLEVHQTFQELGPIFRYDLGGAGMVCVMLPEDVEKLQQVDSLNPRRMSLEPWVAYRQHRGHKCGVFLLNGPEWRFNRLRLNPDVLSPKAVQRFLPMVDAVARDFSQALRKKVVQNARESVTLDIQPSIFHYTIEASNLALFGERLGLVGHSPSSASLSFLHALEVMFKSTVQLMFMPRSLSRWTSPKVWKEHFEAWDCIFQYGDNCIQKIYQELALSRPQQYTSIVAELLLNAELSPDAIKANSMELTAGSVDTTV... | 0 |
15,638 | 79,535 | UN | 79,535 | A4TRG4 | NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO)[C@@H](O)[C@H]2O)C=C1.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>>NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@@H](O... | null | 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.Nc1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO)[C@@H](O)[C@H]2O)c(=O)n1>>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... | MQQHFHFDAIVIGSGPGGEGAAMGLVKQGARVAVIERYNNVGGGCTHWGTIPSKALRHAVSRIIEFNQNPLYSDNARTIKSSFADILNHADRVINQQTRMRQGFYDRNHCHMFSGDASFIDANTVNVRYADGTSDTLQADNIVIATGSRPYRPVNVDFNHERIYDSDTILQLSHEPQHVIIYGAGVIGCEYASIFRGLSVKVDLINTRDRLLAFLDQEMSDALSYHFWNNGVVIRHNEEFEQIEGTTDGVIVHLKSGKKVKADCLLYANGRTGNTSGLGLENIGLEADSRGLLKVNSMYQTALSHVYAVGDVIGYPSLAS... | 0 |
15,639 | 78,979 | UN | 78,979 | Q5EAD5 | 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=C(/C)CC[C@]13C(=C(C)CC[C@@H]2C(C)C)CC[C@H]3C.O=P([O-])([O-])OP(=O)([O-])O | 4.2.3.223 | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>CC1=C[C@H]2[C@@H](C(C)C)CCC(C)=C3CC[C@@H](C)[C@@]32CC1.O=P(O)(O)OP(=O)(O)O | MAATEDERPTGSGEGERLDFLRDRHVRFFQRCLQVLPERYSSLETSRLTIAFFALSGLDMLDSLDVVNKDDIIEWIYSLQVLPTEDRSNLNRCGFRGSSYLGIPFNPSKNPGTAHPYDSGHIAMTYTGLSCLVILGDDLSRVNKEACLAGLRALQLEDGSFCAVPEGSENDMRFVYCASCICYMLNNWSGMDMKKAINYIRRSMSYDNGLAQGAGLESHGGSTFCGIASLCLMGKLEEVFSEKELNRIKRWCIMRQQNGYHGRPNKPVDTCYSFWVGATLKLLKIFQYTNFEKNRNYILSTQDRLVGGFAKWPDSHPDAL... | 0 |
15,640 | 81,380 | LR | 81,379 | Q8BG07 | *O[C@H]1C[C@H](*)O[C@@H]1COP(=O)([O-])O[C@H]1C[C@H](*)O[C@@H]1CO.[H]O[H]>>*O[C@H]1C[C@H](*)O[C@@H]1CO.*[C@H]1C[C@H](OP(=O)([O-])[O-])[C@@H](CO)O1.[H+] | null | *O[C@H]1C[C@H](*)O[C@@H]1COP(=O)(O)O[C@H]1C[C@H](*)O[C@@H]1CO.O>>*O[C@H]1C[C@H](*)O[C@@H]1CO.*[C@H]1C[C@H](OP(=O)(O)O)[C@@H](CO)O1 | MDKKKEHPEMRIPLQTAVEVSDWPCSTSHDPHSGLGMVLGMLAVLGLSSVTLILFLWQGATSFTSHRMFPEEVPSWSWETLKGDAEQQNNSCQLILVESIPEDLPFAAGSPTAQPLAQAWLQLLDTARESVHIASYYWSLTGLDIGVNDSSSRQGEALLQKFQQLLLRNISVVVATHSPTLAKTSTDLQVLAAHGAQIRQVPMKQLTGGVLHSKFWVVDGRHIYVGSANMDWRSLTQVKELGAIIYNCSNLAQDLEKTFQTYWVLGTPQAVLPKTWPRNFSSHINRFHPLRGPFDGVPTTAYFSASPPSLCPHGRTRDLD... | 1 |
15,641 | 79,295 | UN | 79,295 | B6EP94 | [NH3+]CCCCCN(O)C(=O)CCC(=O)[O-].[NH3+]CCCCCN(O)C(=O)CCC(=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+]CCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(=O)CCC(=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+] | null | NCCCCCN(O)C(=O)CCC(=O)O.NCCCCCN(O)C(=O)CCC(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>NCCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(=O)CCC(=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 | MTDFTAKAQCSFTDRYAPKKDQLINISEFEFRNYNEDTDFSVINQWLSQSYSSYWGMNELTEDQRNLELKNTAHKFGLVGLKRGKILFYTELYHPAKDEIGEHYPVQEGDCGMHLIIAPVDIPEHRLSQNVITAISSLILEHLPFTRLVVEPDIQNEKVHRLNHLIGIEYSQIVPLNSKTAKLGFATKSQFLQSQGKVSSMKNSSKNPSLSLATSHLTTEYWHKANQHLIAKMITELSHEQIITPIKLDDASNAQAASWCITFNSDTGTSEYLFRARQYQLDHLFVEPQSITCTKDDKNQPLDAVSFILSCRHLLEISDA... | 1 |
15,643 | 78,495 | UN | 78,495 | Q980C5 | 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... | MIPGSNPGGRIHNVIEMFENYFMDAVKGYYRHLAIIESQDPLEKINSLIDDYLKVNKKPRVIYGFHPWLDNSKDRMKELKKRFENFLDIDYSNSEKYLGQSADLVILDAMDDFRPNYIARFVDMTKGGGIAIIYSDNILEGKLYKKSLTRYGVVKDLFEARFIELAKRYRGIIFFQGNDRITFTPYSSNETHKPYKKIPKSPKVSMELHELCLSSDQNKVLEESLFIMNLGKRVLVITAARGRGKSASIGLFLSYLMSEGNFGSIIVTSPTYYSSQEIFKFIIRGLEALNVKYKVITSRDGKIMKISTRDSRVKWVSPDL... | 0 |
15,644 | 65,772 | UN | 65,772 | P9WPP6 | CC(C)C1=CC=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=C(C(C)C)C=C1.[H]C([H])=O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H] | null | CC(C)c1ccc(NC(=O)N(C)C)cc1.O=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1>>C=O.CNC(=O)Nc1ccc(C(C)C)cc1.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1 | MTATVLLEVPFSARGDRIPDAVAELRTREPIRKVRTITGAEAWLVSSYALCTQVLEDRRFSMKETAAAGAPRLNALTVPPEVVNNMGNIADAGLRKAVMKAITPKAPGLEQFLRDTANSLLDNLITEGAPADLRNDFADPLATALHCKVLGIPQEDGPKLFRSLSIAFMSSADPIPAAKINWDRDIEYMAGILENPNITTGLMGELSRLRKDPAYSHVSDELFATIGVTFFGAGVISTGSFLTTALISLIQRPQLRNLLHEKPELIPAGVEELLRINLSFADGLPRLATADIQVGDVLVRKGELVLVLLEGANFDPEHFP... | 0 |
15,645 | 29,775 | UN | 29,775 | B1LPR3 | 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 | MTGKLIWLMGASGSGKDSLLTELRQREQTQLLVAHRYITRAASAGSENHIALSEQEFFTRAGQNLLALSWHANGLYYGVGVEIDLWLHAGFDVVVNGSRAHLPQARARYQSALLPVCLQVSPEILRQRLENRGRENASEINARLARAARYTPQDCLTLNNDGSLRQSVDKLLTLIHQKEKHHACL | 0 |
15,646 | 65,793 | LR | 65,792 | S5RR11 | CN(C)C(=O)NC1=CC=CC(C(F)(F)F)=C1.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.O=O.[H+].[H+]>>CNC(=O)NC1=CC(C(F)(F)F)=CC=C1.[H]C([H])=O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H] | null | CN(C)C(=O)Nc1cccc(C(F)(F)F)c1.O=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1>>C=O.CNC(=O)Nc1cccc(C(F)(F)F)c1.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1 | MFRYDQVAHLTDQAYIDDLCDRVEQGLDQGLLPSHVFRDERVFKVEMDRIFTRAWVFVAHETEIPKSGDFVLRKVGLDQVIVTRSAGGAINVLLNHCRHRGTEVCHEDSGNTTHFKCPYHGWIYKNDGDFVGAPAMREAYGGRLDSKKNGLLRAPQVESYHGFIFTCLSESGPSLSEYLGDVSWMLDAIVKLHPAGLKVLGAPERFIIRTDWKIGAENFAGDVYHIATAHLSVNETKYISQDMRDTLKTGGGYRFQNGHGFITHRSSEMVGAEGGLWAYGLNPEIRKQFDLEGFDDAQKKMLLEAPPVAGNIFPNFSYLR... | 1 |
15,647 | 80,639 | UN | 80,639 | P37847 | [NH3+]CC=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.[NH3+]CC(=O)[O-].[H+].[H+].[H+] | null | NCC=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>>NCC(=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 | KRLLQNLGIEINQVIPEGGFIEDLQNLPKAWFNFVPYREIGLMTAVYLEKEFGMPYVSITPMGIVDTAECIRQIQKHINELAVVSLEETVDYEPYIYQQTKFV | 0 |
15,648 | 51,008 | UN | 51,008 | Q7L5A8 | [Fe+3].[Fe+3].CO>>[Fe+2].[Fe+2].[H]C([H])=O.[H+].[H+] | 1.1.2.7 | CO.[Fe+3].[Fe+3]>>C=O.[Fe+2].[Fe+2] | MAPAPPPAASFSPSEVQRRLAAGACWVRRGARLYDLSSFVRHHPGGEQLLRARAGQDISADLDGPPHRHSANARRWLEQYYVGELRGEQQGSMENEPVALEETQKTDPAMEPRFKVVDWDKDLVDWRKPLLWQVGHLGEKYDEWVHQPVTRPIRLFHSDLIEGLSKTVWYSVPIIWVPLVLYLSWSYYRTFAQGNVRLFTSFTTEYTVAVPKSMFPGLFMLGTFLWSLIEYLIHRFLFHMKPPSDSYYLIMLHFVMHGQHHKAPFDGSRLVFPPVPASLVIGVFYLCMQLILPEAVGGTVFAGGLLGYVLYDMTHYYLHF... | 0 |
15,649 | 27,630 | UN | 27,630 | E5Y946 | OCCO.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>>[H]C(=O)CO.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+] | null | 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.OCCO>>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=CCO | MAFVHYTVKKIVHGLGAIKEAANEVKNLKGSKAFIVTDPGLAKIGVQKPLEEALTAGGIEWKLYAEAQLEPSMDSIQHCTDEAKAFGADVIIGFGGGSALDTTKAASVLLSNEGPIDKYFGINLVPNPSLPCILIPTTSGTGSEMTNISVLADTKNGGKKGVVSEYMYADTVILDAELTFGLPPRVTAMTGVDAFVHAMESFCGIAATPITDALNLQAMKLVGANIRQAYANGKNAAARDAMMYASALAGMGFGNTQNGIIHAIGTTLPVECHIPHGLAMSFCAPFSVGFNYIANPEKYAIVADILRGDDRSGCMSVMDR... | 0 |
15,650 | 30,495 | UN | 30,495 | P14580 | 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 | MSVSALNPTRLPGSLSGLLQVAGLLGLLLLLLKAAQLYLHRQWLLRALQQFPCPPFHWLLGHSREFQNGHELQVMLKWVEKFPSACPRWLWGSRAHLLIYDPDYMKVILGRSDPKAQGSYRFLAPWIGYGLLLLNGQTWFQHRRMLTPAFHYDILKPYVGLMADSVQIMLDKWEQLVSQDSSLEVFQDISLMTLDTIMKCAFSHQGSVQLDRNSQSYIQAVGDLNNLFFSRVRNVFHQSDTIYRLSPEGRLSHRACQLAHEHTDRVIQQRKAQLQQEGELEKVRRKRRLDFLDVLLFAKMENGSSLSDQDLRAEVDTFMF... | 0 |
15,651 | 66,716 | UN | 66,716 | A5V2S4 | O=S(=O)([O-])C[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O.[H]C(=O)[C@H](O)COP(=O)([O-])[O-]>>O=P([O-])([O-])OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O.[H]C(=O)[C@H](O)CS(=O)(=O)[O-] | 2.2.1.14 | O=C[C@H](O)COP(=O)(O)O.O=S(=O)(O)C[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O>>O=C[C@H](O)CS(=O)(=O)O.O=P(O)(O)OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O | MKFFVDTADTADIAEMAATGLLDGVTTNPSLIAKSGKQFVDVIAEICKIVPGPVSAEVVALDHATMMKEAEVLRKIADNVCIKVPLTIDGLKTCKALSDDGTMVNVTLCFSANQALLAGKAGAAFISPFVGRHDDVGLDGMGLIADIRQIYDNYDFGTEILVASVRHPIHILESAKIGADVMTAPPAVIRALFNHPLTDKGIQGFMADWAKTGQSIL | 0 |
15,652 | 27,630 | UN | 27,630 | Q9I5I6 | OCCO.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>>[H]C(=O)CO.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+] | null | 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.OCCO>>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=CCO | MKQIAFIGLGHMGAPMATNLLKAGYLLNVFDLVQSAVDGLVAAGASAARSARDAVQGADVVISMLPASQHVEGLYLDDDGLLAHIAPGTLVLECSTIAPTSARKIHAAARERGLAMLDAPVSGGTAGAAAGTLTFMVGGDAEALEKARPLFEAMGRNIFHAGPDGAGQVAKVCNNQLLAVLMIGTAEAMALGVANGLEAKVLAEIMRRSSGGNWALEVYNPWPGVMENAPASRDYSGGFMAQLMAKDLGLAQEAAQASASSTPMGSLALSLYRLLLKQGYAERDFSVVQKLFDPTQGQ | 0 |
15,653 | 81,319 | UN | 81,319 | A7FG78 | *[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 | MSVKIENIQCELLSKNWFKLHKYTFDLKTDEGTSVQQIREVYDRGNGATILLYNRQQGTVVLIEQFRMPTYVNGNASGMLLEACAGLLDNDSPEACIRREAMEETGYQVDKVQKLFEAYMSPGGVTELVYFFAAEYHPDQKITDEVGVEDEVIEVVELPFHDALAMVADGRIKDGKTIMLLQYAQIHFFPSSLTPQRC | 0 |
15,654 | 49,508 | UN | 49,508 | A0A0S3QTD0 | [H]P(=O)([O-])CC(O)(CC(=O)[O-])C(=O)[O-]>>O=C([O-])C/C(=C/[PH](=O)[O-])C(=O)[O-].[H]O[H] | null | O=C(O)CC(O)(C[PH](=O)O)C(=O)O>>O.O=C(O)C/C(=C/[PH](=O)O)C(=O)O | MKLKERLAELIPQWRAEVAEIRKKYGNRKTMDCTIGHAYGGMRGLKALVCDTSEVFPDEGVKFRGYTIPELREGPHKLPTAEGGFEPLPEGLWYLLLTGELPTEEDVKEISAEFTKRMQNVPQYVFDVLRAMPVDTHPMTMFAAGILAMQRESVFAKRYEEGMRREEHWEAMLEDSLNMLAALPVIAAYIYRRKYKGDTHIAPDPNLDWSANLAHMMGFDDFEVYELFRLYMFLHSDHEGGNVSAHTNLLVNSAYSDIYRSFSAAMNGLAGPLHGLANQEVLRWIQMLYKKFGGVPTKEQLERFAWDTLNSGQVIPGYGH... | 0 |
15,655 | 75,727 | UN | 75,727 | Q08477 | 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 | MPQLSLSSLGLWPMAASPWLLLLLVGASWLLARILAWTYTFYDNCCRLRCFPQPPKRNWFLGHLGLIHSSEEGLLYTQSLACTFGDMCCWWVGPWHAIVRIFHPTYIKPVLFAPAAIVPKDKVFYSFLKPWLGDGLLLSAGEKWSRHRRMLTPAFHFNILKPYMKIFNESVNIMHAKWQLLASEGSARLDMFEHISLMTLDSLQKCVFSFDSHCQEKPSEYIAAILELSALVTKRHQQILLYIDFLYYLTPDGQRFRRACRLVHDFTDAVIQERRRTLPSQGVDDFLQAKAKSKTLDFIDVLLLSKDEDGKKLSDEDIRA... | 0 |
15,656 | 77,231 | UN | 77,231 | Q6P6S9 | C[C@H](O)CP(=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]>>C[C@H](O)CP(=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 | C[C@H](O)CP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O.O>>C[C@H](O)CP(=O)(O)O.Nc1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)n1 | MATSWASVFLLIIAYVGGTVFYREQQTWFEGVFLSSMCPVNVSAGTFYGIMFDAGSTGTRIHVYTFVQRTSGQLPFLEGEIFDSVKPGLSAFVDQPKQGAETVQELLEVAKDSIPRSHWKRTPVVLKATAGLRLLPEQKAQTLLLEVEEIFKNSPFLVPDDSVSIMDGSYEGILAWVTVNFLTGQLHGRGQETVGTLDLGGASTQITFLPQLEKTLEQTPKGYLASFEMFNSTFKLYTHSYLGFGLKAARLATLGALEAEGTDGHTFRSACLPRWLEAEWIFGGVKYQYGGNQEGEMGFEPCYAEVRRVVQGKLHQPEEI... | 0 |
15,657 | 81,075 | UN | 81,075 | P26826 | [H][C@@]12[C@H](OC(=O)C3=CC=CC=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=CC=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@H]1O[... | 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)c4ccccc4)[C@@H]12)C(=O)OC3>>CC(=O)OC[C@]12CCC[C@](C)(CO)[C@@H]1[C@H](OC(=O)c1ccccc1)CC1=C2COC1=O.CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)... | MVFEKIDKNSWNRKEYFDHYFASVPCTYSMTVKVDITQIKEKGMKLYPAMLYYIAMIVNRHSEFRTAINQDGELGIYDEMIPSYTIFHNDTETFSSLWTECKSDFKSFLADYESDTQRYGNNHRMEGKPNAPENIFNVSMIPWSTFDGFNLNLQKGYDYLIPIFTMGKYYKEDNKIILPLAIQVHHAVCDGFHICRFVNELQELINS | 0 |
15,659 | 80,087 | UN | 80,087 | Q18006 | [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... | MSTDYDVVVVGAGIFGSCTAYNCQKIGLKTLLLEQFELGHKNGSSHGKSRITRYAHTEVEYVDLVGDAYNQIFELERIRGEKLWKKTGLLWVSTGNEVEKIHTNLKLKGIKHEVIKGTEVGKRYPQFKFDDSWNGLIDPMGGVIYADKWLNAFRDEFKKIGGIIHDREIVLSHSEISNNLFVTTNKSRYSSKKIIFTVGCWITKFLPDLKFNIEPISISVCYWKTKNESDSHLLNEDHYPVVIAQEMDLQVFHYSLPDTDYPGSMKFCYHFGDALTQDLAHPAQRSQRCIDLPAKFIQKYMPVVDGSAPTRIDKCIYTNS... | 0 |
15,660 | 65,772 | UN | 65,772 | D5E3H2 | CC(C)C1=CC=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=C(C(C)C)C=C1.[H]C([H])=O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H] | null | CC(C)c1ccc(NC(=O)N(C)C)cc1.O=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1>>C=O.CNC(=O)Nc1ccc(C(C)C)cc1.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1 | MKKVTVDDFSSPENMHDVIGFYKKLTEHQEPLIRLDDYYGLGPAWVALRHDDVVTILKNPRFLKDVRKFTPLQDKKDSIDDSTSASKLFEWMMNMPNMLTVDPPDHTRLRRLASKAFTPRMIENLRPRIQQITNELLDSVEGKRNMDLVADFSFPLPIIVISEMLGIPPLDQKRFRDWTDKLIKAAMDPSQGAVVMETLKEFIDYIKKMLVEKRNHPDDDVMSALLQAHEQEDKLSENELLSTIWLLITAGHETTAHLISNGVLALLKHPEQMRLLRDNPSLLPSAVEELLRYAGPVMIGGRFAGEDIIMHGKMIPKGEM... | 0 |
15,661 | 80,211 | UN | 80,211 | A0A017SR40 | 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 | MWDSPIIFTTMRELVQSVSPAALSWAVVAIYLGTFFWLRSRSSKQRLPLPPGPRGLPLIGNSLQTPAVNPWEKYKEWSDEYGPVMTLSLGLTTTIILSSHQVANDLMEKKSTIYSSRPQLVMFNRLSGGMNSSGMEYGKRWRDHRSLQASVLRPWMTQRYTALRDVETKQLLAELLNTDDFSSCFKRMVASLFMTLAYGKRVQYPDDPEIRGMEELVRVKSEAGEASFRATGQLVEYIPLLQYLPSFLTPWKEMCDRICEQFNKTFVDRLRDGINAPAWTWAKEVSKHKVARPMSELEISYTLGTLYEASLTSQQILRII... | 0 |
15,662 | 75,255 | UN | 75,255 | Q9FM84 | [H][C@@]1(C2=C(O)/C3=C(/C=C/2[O-])OC2=C(C=C(O)C(O)=C2)C3=O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.O=O>>[H][C@@]1(C2=C(O)/C3=C(/C=C/2[O-])OC2=C(C=C(O)C(O)=C2)C3=O)O[C@H](CO)[C@@H](O)C(=O)[C@H]1O.[H]OO[H] | 1.1.3.50 | O=O.O=c1c2cc(O)c(O)cc2oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12>>O=C1[C@@H](O)[C@H](c2c(O)cc3oc4cc(O)c(O)cc4c(=O)c3c2O)O[C@H](CO)[C@H]1O.OO | MKRSMRSHLAKQTRSVIFTGYPVIGSQDRIMSSGACLDSHQNGLITSCPWDPRIKGEFFYQTALSVPLTHVKDFINDIKALVKIEPKSLCGLELNYGVLVRYVTSSPAYLRKEEKALDFDLTYYRSKDDPWTPRLYEDYMEEIEQMAILKYNALPHWGKNRNLAFDGAIKKYKNANTFLKVKERLDPWGLFSTEWTDQILGLKGNVTIVKQGCAPEGLCICSDDSHCAPNKGYMCRPGKVYKEARVCTLVTA | 0 |
15,663 | 78,771 | UN | 78,771 | I5AX50 | O=C1C=C(C2=CC(O)=C(O)C=C2)OC2=C1C(O)=C([C@@H]1O[C@H](CO)[C@@H](O)C(=O)[C@H]1O)C([O-])=C2>>O=C1C(O)=CO[C@H](CO)[C@H]1O.O=C1C=C(C2=CC=C(O)C(O)=C2)OC2=CC([O-])=CC(O)=C12 | null | O=C1[C@@H](O)[C@H](c2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)O[C@H](CO)[C@H]1O>>O=C1C(O)=CO[C@H](CO)[C@H]1O.O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | MYRYEKKGPKRGVALYSYSAEFGLTKTLEDCFEDLHDMGAHGIEILANTHIENYPYPTDEWVEKWWRLCDKYEIVPVEYGNWIDSHVLGDRDLTTEESVEMLKRDIRLAHRLGFTVMRTKMPVINDLLEPVENWKEIIKGALPLAEELGIKMCPEIHTPSNLKGKLVNDFVEFIKETGTKNFGLNIDFSVFRTSFAEGEWVDPNYTPNKPEDIIPLLPYVYCCHAKFIHMSDDFKETTIPYEEVVKTMEDNGYEGYLLSEYEGADKYDEGYEVGQTLRKHHILLKNLLGD | 1 |
15,664 | 75,763 | UN | 75,763 | Q28035 | 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 | MAGKPTLHYFNGRGRMECIRWLLAAAGVEFEEKFIEKPEDLDKLKNDGSLMFQQVPMVEIDGMKLVQTRAILNYIATKYNLYGKDMKERALIDMYSEGVADLGEMIMHFPLCPPAEKDAKLTLIREKTTNRYLPAFENVLKSHGQDYLVGNKLSRADIHLVELLYYVEELDPSLLANFPLLKALKARVSNIPAVKKFLQPGSQRKPPTDEKKIEEARKVFKF | 0 |
15,665 | 78,491 | UN | 78,491 | Q9SMP5 | NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])CCC[NH3+])[C@@H](O)[C@H]2O)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](OP(=O)([O-])[O-])[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O>>NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])CCCNO)[C@@H](O)[C@H]2O)C=C1.NC(=O)C1=CC=... | 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](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.NCCCP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O.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@... | MAFLLSFLILAFLITIIFFLSSSSTKKVQENTTYGPPSYPLIGSILSFNKNRHRLLQWYTELLRLSPSQTILVPLLGNRRTIITTNPLNVEYILKTNFFNFPKGKPFTDLLGDLLGGGIFNVDGHSWSSQRKLASHEFSTRSLRSFAFEVLKDEVENRLVPVLSTAADVGTTVDLQDVLKRFAFDVVCKVSLGWDPDCLDLTRPVNPLVEAFDTAAEISARRATEPIYAVWKTKRVLNVGSERKLREAIRTVHVLVSEIVRAKKKSLEIGTGAEAKQDLLSRFLAAGHNGEAVRDMVISFIMAGRDTTSAAMTWLFWLLT... | 0 |
15,666 | 14,769 | UN | 14,769 | B7LE31 | [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 | MTQFASPVLHSLLDTDAYKLHMQQAVFHHYYDVHVAAEFRCRGDDLLGIYADAIREQIQAMQHLRLQDDEYQWLSALPFFKADYLNWLREFRFNPEQVTVSNDNGKLDIRLSGPWREVILWEVPLLAVISEMVHRYRSPQADVAQALDTLESKLVDFSALTAGLDMSRFHLMDFGTRRRFSREVQETIVKRLQQESWFVGTSNYDLARRLSLTPMGTQAHEWFQAHQQISPDLANSQRAALAAWLEEYPDQLGIALTDCITMDAFLRDFGVEFASRYQGLRHDSGDPVEWGEKAIAHYEKLGIDPQSKTLVFSDNLDLRK... | 0 |
15,667 | 74,147 | UN | 74,147 | Q6GN02 | 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](... | MAFCGPRTAARLSHSTRALHYTHRSFASPRTLNEVVIASAARTPIGSFQGTLSSLPATKLGSIAIKAAVERAGIPADEVKEVYMGNVLQAGQGQAPSRQATLGAGLAISTPTTTINKVCASGMKSVMLAAQSLMCGHQQVMVAGGMESMSNVPYCMSRGATPYGGVKLEDIIVKDGLTDVYNKFHMGNCAENTAKKLSISREEQDGFAITSYTRSKAAWDSGLIANEIAPVTIAQKGKPDIIVQEDEEYKRVDFSKFPKLKTVFQKDNGTVTAANSSTLNDGAAALVLMTAEAANRLNVTPLARIVAFADAAVDPIDFPI... | 0 |
15,668 | 79,283 | UN | 79,283 | A6U4F3 | [NH3+]CCCCN(O)C(=O)CCC(=O)[O-].[NH3+]CCCCN(O)C(=O)CCC(=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+]CCCCN(O)C(=O)CCC(=O)NCCCCN(O)C(=O)CCC(=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+] | null | NCCCCN(O)C(=O)CCC(=O)O.NCCCCN(O)C(=O)CCC(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>NCCCCN(O)C(=O)CCC(=O)NCCCCN(O)C(=O)CCC(=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 | MYSIKMRSSNQDVHISGAETICEFDKIEQTVQRFYNKGFFHENGQPDFLNIKIQKIMEPIQQIKALQIIEDDKANLQHLTQECGVTEQALNQGMTYIKNETVYTGAIILSAISGKRLDSFGQRGIRATHFSFEDINNKGDLNERVTDALAIASCINAHPYVKGELCVSDDLTYTTGYFAAAKIGYHRLFDIKPVNTRYGGRIIFVDDCIDLNHYISFLESTPKQVVYETV | 0 |
15,669 | 80,255 | UN | 80,255 | Q2LT97 | NC(=[NH2+])NCCC[C@@H]1NC(=O)/C(=C/C2=CC=C(O)C(OCC[C@H]([NH3+])C(=O)[O-])=C2)NC1=O.O=C([O-])CC(O)(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)[O-])C(=O)[O-])C(=O)[O-])=C2)NC1=O... | null | N=C(N)NCCC[C@@H]1NC(=O)/C(=C/c2ccc(O)c(OCC[C@H](N)C(=O)O)c2)NC1=O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C(O)CC(O)(CC(=O)O)C(=O)O>>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.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.... | MDTGVKKVVLAYSGGLDTSVIVQWLIETYGCEVIAFAADVGQKEELEGLREKAIKTGASKIYIEDLREEFARDFVFPALRANAIYEGTYLLGTSLARPLIAKRQVEIARAEGADAVCHGATGKGNDQVRFELTYMALEPNIRIISAWKDPNWHFKSREDMFDYAEKHNIPLPLTREKPYSSDRNLLHISHEGAILEDPWAEPPEDIFTISLSPEAAPDKPTYVEIDFEQGNPVALDGARLSPAALMEKMNDIAGANGIGRVDMVENRFVGMKSRGVYETPGGTVLWAAHRALESLTMDREVMLMRDSLIPKYAQLAYNGF... | 0 |
15,670 | 30,495 | UN | 30,495 | Q8SPK0 | 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 | MTVPALASASGLLQVASLLGLLLLLLKAAQLYLRRQWLLKALQQFPSPPSHWLYGHSREFQEESELQPLLKRVEKYPSACARWLWGTRAMVLVYDPDYMKVVLARSEPKAPVLYRLLIPWIGCGLLLLNGQTWFQRRRMLTPAFHYDILKPYVGLMAKSVQVMLDKWEQLVAQDPRLEIVGPVSLMTLDTIMKCAFSHQGSAQTDGDSHSYIQAIWDLKNLFSIRTKSAFLQNDIIYRLSPEGRKNHRAARIAHQHTDRVIQLRKAQLQKQGEMENVRKKRHLDFLDILLLARMEKGNSLSDTDLRAEVDTFMFEGHDTT... | 0 |
15,671 | 74,631 | UN | 74,631 | P0A1A5 | CC(=O)OCC[C@H]([NH3+])C(=O)[O-].CC(C)C(=O)C(=O)[O-]>>CC(C)(CC[C@H]([NH3+])C(=O)[O-])C(=O)C(=O)[O-].CC(=O)[O-].[H+] | null | CC(=O)OCC[C@H](N)C(=O)O.CC(C)C(=O)C(=O)O>>CC(=O)O.CC(C)(CC[C@H](N)C(=O)O)C(=O)C(=O)O | MTTKKADYIWFNGEMVRWEDAKVHVMSHALHYGTSVFEGIRCYDSHKGPVVFRHREHMQRLRDSAKIYRFPVSQSIDELMEACRDVIRKNNLTSAYIRPLVFVGDVGMGVNPPPGYTTDVIIAAFPWGAYLGAEALDQGIDAMVSSWNRAAPNTIPTAAKAGGNYLSSLLVGSEARRHGYQEGIALDVNGYISEGAGENLFEVKDGVLFTPPFTSSALPGITRDAIIKLAKELGIEVREQVLSRESLYLADEVFMSGTAAEITPVRSVDGIQVGEGRCGPVTKRIQQAFFGLFTGETEDKWGWLDPVNS | 0 |
15,672 | 78,495 | UN | 78,495 | A1RY08 | 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... | MPLVPLEHLDEVREELVKARKSRHRRLLVITGDDDSRLVTTALDFIYNVKDLLSGEKVLYTYHAFYSDGAMRKELFEKGVPRELSVDYVSYHKLDEVLGRTYAAAVADLVNNLEPNDLGRVMGVVEGGGLYIFLLPSFTRLLETVTRFQSNLIVPGYTDKDLKRYFEKRFIKKVMEHQGVAVYDADNRYWVKKFGKTPSTPYARPKPVLPQKSKIPVKVFNLALTQDQVEVLKIFEHFYAKAEKEKLVFVLTADRGRGKSSAVGLGVGWLAHRLRRAKGKCKVVVTAPAVTNVQEVFRFSAAVLDLFKHKVEVLEDESGM... | 0 |
15,673 | 79,227 | UN | 79,227 | M1VV66 | [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 | MPFMFETILSRVKWTANTLVARLTTLYEYEYPRTAKEETGIDKEYHIKLWDEDIGAMLVSMMRLAGYSEQSQKTHRIFFKEQVARSLGLYPTTYPHQSAWESFMTDDHTPVEMSWSWSGNTPTPVVRYAAEPISWHAGTASDPLNSEATTECLASTAPLAPSLDLRWYRHFLKHLVADDSDGQHDTTDHLSQEFIAFDLDKDSMTVKYYFLPTLKSLACGKTNLELMEESILSLPEADEAVRSSLKVLTTYIRAYPQDEQPQAEIFAVDCVNPANSRLKIYVRSRKTTFDSMLEMMTLGGQTPDLTRDAIDSLRELWCAC... | 0 |
15,674 | 77,652 | LR | 77,651 | B8MKZ0 | 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 | MRLSTLSSLLLGSSSIVFARVPPTVDNQEPIKSTSYFLDDPDFPSHFEFENPETNCKYVSQPWIYNAFNSVSEDMEAVFKYAHPDLHVRIMGHHPFAGYYHNPKMAFVNSLWRLNNCLKDAKVDAKLWAIHGGCDQAWSVQEFYFNATTNKGQPWELTSLWVSRWDEDGLIREVRTWVDAGQIMRTLWDNEIWFNSSDRVHHYDFIPGPGGLPPIANKTELGGEL | 1 |
15,675 | 81,151 | UN | 81,151 | A3N522 | [NH3+]C(C(=O)[O-])C(=O)[O-].*N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@@H](O)/C=C/CCCC/C=C/CCCCCCC)C(*)=O>>CCCCCCC/C=C/CCCC/C=C/[C@H](O)CC(=O)[C@H](N)C(=O)[O-].*N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCS)C(*)=O.O=C=O | null | *N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@@H](O)/C=C/CCCC/C=C/CCCCCCC)C(*)=O.NC(C(=O)O)C(=O)O>>*N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCS)C(*)=O.CCCCCCC/C=C/CCCC/C=C/[C@H](O)CC(=O)[C@H](N)C(=O)O.O=C=O | MNPLATLEQGLADIDAQGLRRCRRVADTACGAHMTVDGRAIIGFASNDYLGLAAHPRLVEAFAEGARRYGSGSGGSHLLGGHSRAHATLEDELAAFSGGFSDAPRALYFSTGYMANLAALTALAGRGATIFSDALNHASLIDGARLSRANVQIYPHGDADALDARLRACDAPTKLIVSDTVFSMDGDVAPLARLVALAETHGAWLVVDDAHGFGVLGPQGRGALAAHGLRSPNLVYVGTLGKAAGVAGAFVVAHETVIEWLVQRARSYIFTTAAPPSVACAVSASLAVIASDEGDARRAHLGALIKRTRAILRATHWQPV... | 0 |
15,676 | 81,379 | UN | 81,379 | B5XNU9 | *O[C@H]1C[C@H](*)O[C@@H]1COP(=O)([O-])O[C@H]1C[C@H](*)O[C@@H]1CO.[H]O[H]>>*O[C@H]1C[C@H](*)O[C@@H]1CO.*[C@H]1C[C@H](OP(=O)([O-])[O-])[C@@H](CO)O1.[H+] | null | *O[C@H]1C[C@H](*)O[C@@H]1COP(=O)(O)O[C@H]1C[C@H](*)O[C@@H]1CO.O>>*O[C@H]1C[C@H](*)O[C@@H]1CO.*[C@H]1C[C@H](OP(=O)(O)O)[C@@H](CO)O1 | MSQSHFFAHLSRLKLINRWPLMRNVRTENVSEHSLQVAMVAHALAAIKNRKFGGQVNAERIALLAMYHDASEVLTGDLPTPVKYFNSQIAQEYKAIEKIAQQKLVDMVPDELRDIFEPLIDEHHYSEEEQSIVKQADALCAYLKCLEELSAGNNEFLLAKGRLEKTLASRRSAEMDYFMQVFVPSFQLSLDEISQDSPL | 0 |
15,677 | 75,763 | UN | 75,763 | P05176 | 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 | MVSDFGLPTFISATELLLASAVFCLVFWVAGASKPRVPKGLKRLPGPWGWPLLGHVLTLGKNPHVALARLSRRYGDVFQIRLGSTPVVVLSGLDTIKQALVRQGDDFKGRPDLYSFSFVTKGQSMIFGSDSGPVWAARRRLAQNALNSFSVASDPASSSSCYLEEHVSQEAENLISKFQELMAAVGHFDPYRYVVMSVANVICAMCFGRRYDHDDQELLSLVNLNDEFGKVAASGSPADFFLILRYLPNPALDTFKDLNERFYSFTQERVKEHCRSFEKGHIRDITDSLIKHYRVDRLDENANVQVSDEKTVGIVLDLFG... | 0 |
15,678 | 82,199 | UN | 82,199 | A0A0A7HB61 | CCCCCCC(C)C/C(C)=C\C(C)/C=C(C)/C=C/C(O)C(C)(C)C1=CC(O)=CC(=O)O1.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>>CCCCCCC(C)C/C(C)=C\C(C)/C=C(C)/C=C/C(O)C(C)(C)C1=CC([O-])=C([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C(=O)O1.O=C1C=CN([C@@H]2O[C@H](COP(=O)([... | null | CCCCCCC(C)C/C(C)=C\C(C)/C=C(C)/C=C/C(O)C(C)(C)c1cc(O)cc(=O)o1.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>>CCCCCCC(C)C/C(C)=C\C(C)/C=C(C)/C=C/C(O)C(C)(C)c1cc(O)c([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(=O)o1.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)... | MKSELIFLPAPAIGHLVGMVEMAKLFISRHENLSVTVLIAKFYMDTGVDNYNKSLLTNPTPRLTIVNLPETDPQNYMLKPRHAIFPSVIETQKTHVRDIISGMTQSESTRVVGLLADLLFINIMDIANEFNVPTYVYSPAGAGHLGLAFHLQTLNDKKQDVTEFRNSDTELLVPSFANPVPAEVLPSMYVDKEGGYDYLFSLFRRCRESKAIIINTFEELEPYAINSLRMDSMIPPIYPVGPILNLNGDGQNSDEAAVILGWLDDQPPSSVVFLCFGSYGSFQENQVKEIAMGLERSGHRFLWSLRPSIPKGETKLQLKY... | 0 |
15,679 | 56,472 | UN | 56,472 | Q54FI4 | *N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C1=CC=CN1)C(*)=O.[Br-].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=C(N2)C(=O)NC(=O)N1.O=O>>*N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C1=CC=C(Br)N1)C(*)=O.CC1=C... | null | *N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)c1ccc[nH]1)C(*)=O.Br.Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]1O)c1[nH]c(=O)[nH]c(=O)c1N2.O=O>>*N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)c1ccc(Br)[nH]1)C(*)=O.Cc1cc2nc3c(=O)[nH]c(... | MDTNIINHYDIIIIGGGIAGLSATRHLLLKMPELSGRIAVIEPRSERRDNLDEDYKVGESTVEVSAMFFAKELELQDYLIENHPPKFSLQFHWPRELSKTDTIEDYYSTWAVKNPDIQAFQLNRCKIERDLLKMVIAQGAVYYHGRVRNVDNLDNDDMKSIDVEILSEVESGADFKLQQSIERITLTTDYIVDASGRNFTVGSRTDNILKDPKHLFGLDNASTWVRVKNTERSLFDFKSQDVTCSWTYDTNHFFGPGYWIWMIPLERGSRDYSIGVSYHRDKIQPSQLNSLDKFMSFLEKNQKLLYNLIKSGEIVDFHRW... | 0 |
15,680 | 74,067 | UN | 74,067 | P58551 | *C(=O)O[C@H](*)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](*)OC(*)=O.[H][C@]1([C@@H](O)CO)... | 2.4.99.23 | *C(=O)O[C@H](*)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](*)OC(*)=O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O... | MQIIQTKQQYICYNPELLTETPEMAFSSEFWQQQNKIIGSAQGRGTTWFVQGEKLAMALRHYRRGGLFGKLVADSYLFSGWDKTRSVAEFSLLNHLIAHQVNVPKPVAARAVRLGWFRYQADILVEKIANSRDLVGILGQETLSQQVWFDVGAMIKRMHDAGVCHTDLNCHNIILDDHKTVWIIDFDKCYRLEGANWQEKNLARLHRSFIKEQGKRGILFNEDNWQWLCKVIRVNGNKGQ | 0 |
15,681 | 82,567 | UN | 82,567 | P41247 | 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 | MKHINLSFAACGFLGIYHLGAASALCRHGKKLVKDVKAFAGASAGSLVASVLLTAPEKIEECNQFTYKFAEEIRRQSFGAVTPGYDFMARLRSGMESILPPSAHELAQNRLHVSITNAKTRENHLVSTFSSREDLIKVLLASSFVPIYAGLKLVEYKGQKWVDGGLTNALPILPVGRTVTISPFSGRLDISPQDKGQLDLYVNIAKQDIMLSLANLVRLNQALFPPSKRKMESLYQCGFDDTVKFLLKENWFE | 0 |
15,682 | 65,820 | UN | 65,820 | Q96456 | *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 | MAIRINTATFQSDLYRSFAFPQPKPLRSPKFAMASTIGSATTKVESTKKPFTPPREVHQQVLHSMPPQKIEIFKSMEGWAENNILVHLKPVEKCWQAQDFLPDPASDGFMEQVEELRARAKEIPDDYFVVLVGDMITEEALPTYQTMLNTLDGVRDETGATLLLGLVWTRAWTAEENRHGDLLHQYLYLSGRVDMRQIQKTIQYLIGSGMDPRTENSPYLGFIYTSFQERATFISHGNTARHAKEHGDVKLAQMCGIIAADEKRHETAYTKIVEKLFEIDPDGTVLAFADMMRKKISMPAHLMYDGRDDNLFENFSAVAQ... | 0 |
15,683 | 46,572 | UN | 46,572 | Q8LJJ9 | *N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCC)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)CCCC=C)C(*)=O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H].[H]O[H] | 1.14.19.40 | *N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCC)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)CCCC=C)C(*)=O.O.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1 | MQVVGTVRVSGCGAVVAPSRRQCRVSAAVLTAAETATATRRRVTHSMPPEKAEVFRSLEGWARSSLLPLLKPVEECWQPTDFLPDSSSEMFEHQVHELRARAAGLPDEYFVVLVGDMITEEALPTYQTMINTLDGVRDETGASACPWAVWTRTWTAEENRHGDILGKYMYLSGRVDMRMVEKTVQYLIGSGMDPGTENNPYLGFVYTSFQERATAVSHGNTARLARAHGDDVLARTCGTIAADEKRHETAYGRIVEQLLRLDPDGAMLAIADMMHKRITMPAHLMHDGRDMNLFDHFAAVAQRLNVYTARDYADIVEFLV... | 0 |
15,684 | 69,468 | UN | 69,468 | Q0P8W3 | 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](CO)[C@@H](O)[C@@H]1[NH3+].O=C([O-])CCC(=O)C(=O)[O-]>>CC(=O)N[C@@H]1C(=O)[C@H](O)[C@@H](CO)O[C@@H]1OP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=CC(=O)NC2=O)[C@H](O)[C@@H]1O.[NH3+][C@@H](CCC(=O)[O-])C(=O)[O-] | 2.6.1.122 | 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](CO)[C@@H](O)[C@@H]1N.O=C(O)CCC(=O)C(=O)O>>CC(=O)N[C@@H]1C(=O)[C@H](O)[C@@H](CO)O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O.N[C@@H](CCC(=O)O)C(=O)O | MLTYSHQNIDQSDIDTLTKALKDEILTGGKKVNEFEEALCEYMGVKHACVLNSATSALHLAYTALGVQEKIVLTTPLTFAATANAALMAGAKVEFIDIKNDGNIDEKKLEARLLKESENIGAISVVDFAGNSVEMDEISNLTKKYNIPLIDDASHALGALYKSEKVGKKADLSIFSFHPVKPITTFEGGAVVSDNEELIDKIKLLRSHGIVKKRLWDSDMVELGYNYRLSDVACALGINQLKKLDHNLEKREEIANFYDKEFEKNPYFSTIKIKDYKKSSRHLYPILLFPEFYCQKEELFESLLHAGIGVQVHYKPTYEF... | 0 |
15,685 | 73,655 | UN | 73,655 | Q59VG6 | [H][C@@]1(C2=CC=CN=C2)CCC[NH+]1C.[Fe+3].[Fe+3]>>C[NH+]1CCC=C1C1=CC=CN=C1.[Fe+2].[Fe+2].[H+].[H+] | 1.4.2.2 | CN1CCC[C@H]1c1cccnc1.[Fe+3].[Fe+3]>>CN1CCC=C1c1cccnc1.[Fe+2].[Fe+2] | MDIVLEICDYYLFDKVYADVFPKDGAVHEFLKPAIQSFSQIDFPSLPNLDSFDTNSTLISSNNFNISNVNPATIPSYLFSKIASYQDKSEIYGLAPKFFPATDFINTSFLARSNIFRETLSLFIITTIFGWLLYFIVAYLSYVFVFDKKIFNHPRYLKNQMSLEIKRATTAIPVMVLLTIPFFLLELNGYSFLYLDINECTGGYKAILWQIPKFILFTDCGIYFLHRWLHWPSVYKVLHKPHHKWIVCTPFASHAFHPVDGFFQSLPYHLYPLLFPLHKVLYLFLFTFVNFWTVMIHDGSYWSNDPVVNGTACHTVHHLY... | 0 |
15,686 | 12,885 | UN | 12,885 | Q08CA1 | *O[C@H]1[C@@H](O)[C@H](N2C=C(CN[C@H]3C=C[C@H](O)[C@@H]3O)C3=C2N=C(N)NC3=O)O[C@@H]1COP(*)(=O)[O-].NC1=NC2=C(N=CN2[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>>*O[C@H]1[C@@H](O)[C@H](N2C=C(CN[C@H]3C=C[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)C3... | 2.4.1.110 | *O[C@H]1[C@@H](O)[C@H](n2cc(CN[C@H]3C=C[C@H](O)[C@@H]3O)c3c(=O)[nH]c(N)nc32)O[C@@H]1COP(*)(=O)O.Nc1nc2c(ncn2[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>>*O[C@H]1[C@@H](O)[C@H](n2cc(CN[C@H]3C=C[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)c3c(=O)[nH... | MGDCSIFTYTDNDFIGKVCCSGQQNRGRSRFDIALRSGWTEKRNTGLFRYRLDELETRILPGSRGYIAQLNIMRGTERRKPQEILSVRQNFDPKQFNFNKINPKELLFELKRESERKCSVIINVSPLEFGHCLLVPEPEKCFPQVLTHLAVQTGIETVLLSADPGFRVGFNSLGGFASVNHLHLHGYYLNHRLKIESSPAKLVLPNLNLYELVDFPSGFLFYTQGPNLDLVVKAICSLTDVLVDHNIAHNLFLTRGCPPQMEPDTSSSRNGVRVIVWPRLSCFGAKEESAFNVALCELAGHLPFKNRQDYESATEETVQD... | 0 |
15,687 | 78,975 | UN | 78,975 | Q9UT88 | C[C@@](O)(CCOP(=O)([O-])[O-])CC(=O)[O-]>>C/C(=C\C(=O)[O-])CCOP(=O)([O-])[O-].[H]O[H] | 4.2.1.182 | C[C@@](O)(CCOP(=O)(O)O)CC(=O)O>>C/C(=C\C(=O)O)CCOP(=O)(O)O.O | MKVTCSAPGKVLIAGGYIVLDPQYSGLVIGLTAKGYASTTTLDDKCGTVRVKSPQFINAEWLYNIDWTVSPIRVHQIYENCELEKNPNPFVQLALFYVINYFFSTGRQPLCWQDLQVTLQVDNAYYHQPQLKPDQTSYPKFNFLNCTLGQVHKTGLGSSAAMITSLIGSLFLSLRRLTDDTGDKSLKIDDSTKVIVHNLAQIAHCSAQGKVGSGFDVGAATWGSCIYRRFDPKLIEQLLVPYDEQIKNINFSTELRKIVSKKWSDVVPFQLPATYCLLMGDVAGGSSTPGMVKKVQQWQKENPEESKNCFDDLYSRVLSI... | 0 |
15,688 | 14,769 | UN | 14,769 | P31513 | [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 | MGKKVAIIGAGVSGLASIRSCLEEGLEPTCFEKSNDIGGLWKFSDHAEEGRASIYKSVFSNSSKEMMCFPDFPFPDDFPNFMHNSKIQEYIIAFAKEKNLLKYIQFKTFVSSVNKHPDFATTGQWDVTTERDGKKESAVFDAVMVCSGHHVYPNLPKESFPGLNHFKGKCFHSRDYKEPGVFNGKRVLVVGLGNSGCDIATELSRTAEQVMISSRSGSWVMSRVWDNGYPWDMLLVTRFGTFLKNNLPTAISDWLYVKQMNARFKHENYGLMPLNGVLRKEPVFNDELPASILCGIVSVKPNVKEFTETSAIFEDGTIFE... | 0 |
15,689 | 80,983 | UN | 80,983 | M4I1C6 | [H][C@@]12CCC(C)=C(COP(=O)([O-])OP(=O)([O-])[O-])[C@@]1(C)CCCC2(C)C.[H]O[H]>>[H][C@@]12CCC(C)=C(COP(=O)([O-])[O-])[C@@]1(C)CCCC2(C)C.O=P([O-])([O-])O.[H+] | null | CC1=C(COP(=O)(O)OP(=O)(O)O)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1.O>>CC1=C(COP(=O)(O)O)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1.O=P(O)(O)O | MGNETVVVAETAGSIKVAVVVCLLRGQNVLLGRRRSSLGDSTFSLPSGHLEFGESFEECAARELKEETDLDIGKIELLTVTNNLFLDEAKPSQYVAVFMRAVLADPRQEPQNIEPEFCDGWGWYEWDNLPKPLFWPLDNVVQDGFNPFPT | 0 |
15,690 | 80,215 | UN | 80,215 | A0A5B8NBE6 | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CC[C@@H]1OC1(C)C>>[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)CC[C@]4(C)[C@@]3([H])CC[C@@]21C | null | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CC[C@@H]1OC1(C)C>>CC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C | MWKLKVAEGDKNSPYIFTTNNFVGRQIWEFDPNAGTAEELAEVEEARQNFYKNRHQVKPASDLIFRLQFLREKNFKQTIPQVKVEDGEEITYDTATAAMKRAAHYFSAIQASDGHWPAENSGPMYFLPPFIFSLYITGHLDTVFTAAHRREVLRYLYNHQHEDGGWGIHIEGPSSMFGTVYSYLTMRLLGLGPNDGENNACARARKWIRDNGGVTYIPSWGKNWLSILGLFEWAGTHPMPPEFWMLPSYFPLHPAQMWCFCRLVYMPLSYLYGKRFVGPITPLIKQLREELHTEPYDQINWRKVRHLCAKPDLYYPHPFV... | 0 |
15,691 | 80,947 | UN | 80,947 | Q39XE0 | *N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@@H](*)O)C(*)=O.[NH3+]CC(=O)[O-]>>[1*][C@@H](O)CC(=O)NCC(=O)[O-].*N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCS)C(*)=O.[H+] | null | *N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@@H](*)O)C(*)=O.NCC(=O)O>>*N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCS)C(*)=O.[1*][C@@H](O)CC(=O)NCC(=O)O | MSKSFAEELEMLKAQGLHRRMRRIAGSQGSRAVVDGKEALLLCSNNYLGLADHPRLAEAAIRAVERYGTSSGASRLVSGTMELHALLEERIARFKGTGAALVFNSGYAANSGIIPALVGKGDVVFSDRLNHASIVDGCLLSRATMVRYPHNDTAALRRLMERHETAGRRLLVTDGVFSMDGDMAPLRELAALKREFGALLMVDDAHGTGVLGATGRGSAELQGVMAEIDIHMGTLGKALGSFGAYAAASEDVIDYLANKARSFIFSTSLPPAVLAASLAAVDLVDSPDGAALRERLARNTAFFREGLCAAGFDTMGSETQ... | 0 |
15,693 | 80,947 | UN | 80,947 | A0KIC7 | *N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@@H](*)O)C(*)=O.[NH3+]CC(=O)[O-]>>[1*][C@@H](O)CC(=O)NCC(=O)[O-].*N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCS)C(*)=O.[H+] | null | *N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@@H](*)O)C(*)=O.NCC(=O)O>>*N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCS)C(*)=O.[1*][C@@H](O)CC(=O)NCC(=O)O | MKGSAVTGPFGLSAALSEREQAGLLRSRIATDGASGGRLRVAGRDYLNFSANDYLGLAGHSAIKTAFQGGIDRYGAGAGASPLVTGYSRAHQQLEETLADWLGVEAVLLFNCGFSANQAVLKALLGKDHLLWQDKLNHASLQEMGSQLPCKMKRFGHNDMTALERQLEPNRGLIVSEGVFSMDGDQGSWRELAALAAQSGNWLMIDDAHGLGVLGSEGRGTLAAQGVAPASVHIQMGTFGKALGVAGAFVGGSRELVDYLVNFARHYVYSTHMPAAQACAVSQSIELVRAADEARAHLGQLITRFRQGAQALGWQLGASD... | 0 |
15,694 | 69,336 | UN | 69,336 | Q01594 | */C=C/SO>>*C/C=[S+]\[O-] | 5.3.99.12 | */C=C/SO>>*C/C=[S+]\[O-] | MVESYKKIGSCNKMPCLVILTCIIMSNSLVNNNNMVQAKMTWTMKAAEEAEAVANINCSEHGRAFLDGIISEGSPKCECNTCYTGPDCSEKIQGCSADVASGDGLFLEEYWKQHKEASAVLVSPWHRMSYFFNPVSNFISFELEKTIKELHEVVGNAAAKDRYIVFGVGVTQLIHGLVISLSPNMTATPDAPESKVVAHAPFYPVFREQTKYFNKKGYVWAGNAANYVNVSNPEQYIEMVTSPNNPEGLLRHAVIKGCKSIYDMVYYWPHYTPIKYKADEDILLFTMSKFTGHSGSRFGWALIKDESVYNNLLNYMTKNT... | 0 |
15,695 | 80,879 | UN | 80,879 | P61599 | [H][C@]1(O)CC[C@]2(C)[C@@]([H])(CC/C(C)=C/CC3=C(O)C=C(C)OC3=O)C(=C)CC[C@@]2([H])C1(C)C.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@]1(CC/C(C)=C/CC2=C(O)C=C(C)OC2=O)C(=C)CC[C@@]2([H])C(C)(C)[C@@]([H])(OC(C)=O)CC[C@]12C.CC(C)(COP... | null | C=C1CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@H]1CC/C(C)=C/Cc1c(O)cc(C)oc1=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](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>C=C1CC[C@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@]2(C)[C@H]1CC/C(C)=C/Cc1c(O)cc(C)oc1=O.CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)nc... | MTTLRAFTCDDLFRFNNINLDPLTETYGIPFYLQYLAHWPEYFIVAEAPGGELMGYIMGKAEGSVAREEWHGHVTALSVAPEFRRLGLAAKLMELLEEISERKGGFFVDLFVRVSNQVAVNMYKQLGYSVYRTVIEYYSASNGEPDEDAYDMRKALSRDTEKKSIIPLPHPVRPEDIE | 0 |
15,696 | 81,079 | UN | 81,079 | Q147X3 | [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... | MAEVPPGPSSLLPPPAPPAPAAVEPRCPFPAGAALACCSEDEEDDEEHEGGGSRSPAGGESATVAAKGHPCLRCPQPPQEQQQLNGLISPELRHLRAAASLKSKVLSVAEVAATTATPDGGPRATATKGAGVHSGERPPHSLSSNARTAVPSPVEAAAASDPAAARNGLAEGTEQEEEEEDEQVRLLSSSLTADCSLRSPSGREVEPGEDRTIRYVRYESELQMPDIMRLITKDLSEPYSIYTYRYFIHNWPQLCFLAMVGEECVGAIVCKLDMHKKMFRRGYIAMLAVDSKYRRNGIGTNLVKKAIYAMVEGDCDEVVL... | 0 |
15,697 | 69,316 | UN | 69,316 | P51688 | C=CC/C([S-])=N/OS(=O)(=O)[O-]>>C=CCSC#N.O=S(=O)([O-])[O-] | 4.8.1.8 | C=CC/C(S)=N/OS(=O)(=O)O>>C=CCSC#N.O=S(=O)(O)O | MSCPVPACCALLLVLGLCRARPRNALLLLADDGGFESGAYNNSAIATPHLDALARRSLLFRNAFTSVSSCSPSRASLLTGLPQHQNGMYGLHQDVHHFNSFDKVRSLPLLLSQAGVRTGIIGKKHVGPETVYPFDFAYTEENGSVLQVGRNITRIKLLVRKFLQTQDDRPFFLYVAFHDPHRCGHSQPQYGTFCEKFGNGESGMGRIPDWTPQAYDPLDVLVPYFVPNTPAARADLAAQYTTVGRMDQGVGLVLQELRDAGVLNDTLVIFTSDNGIPFPSGRTNLYWPGTAEPLLVSSPEHPKRWGQVSEAYVSLLDLTP... | 0 |
15,698 | 80,200 | LR | 80,199 | Q9FD36 | 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@... | MALLTDDFDAVVASRRAVRAFLPTPISRKLISEIIDIARLAPSNSNTQPWSIHVLTGEPKQALSALLGIAHNDPSADPLAHLPDDLARKYRERQEKWGELFYGLHQIDKCDDAGRARVSGLNFDFFGAPVGLIFTIDSNLKKYSWLDYGLFLQTLMLTARSRGLSTCPQVSFARFQSLIKDFLHLDDSQEIVCGMSLGYADENATVNSLRMPREMAQGFTHFMGFDR | 1 |
15,699 | 78,811 | UN | 78,811 | I3R9K3 | NC(=[NH2+])NCCCC[NH2+]CC[C@H]([NH3+])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.[H]O[H]>>[H]C(=O)C[C@H]([NH3+])C(=O)[O-].NC(=[NH2+])NCCCC[NH3+].NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@... | 1.5.1.55 | N=C(N)NCCCCNCC[C@H](N)C(=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>>N=C(N)NCCCCN.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.N[C@@H](CC=O)C(=O)O | MDEINFAVLGTGGIGRRTLEVSTYKDGLTPVAACDRHGVAVNHDGLDVEEILDATEGNIAGDGTGDTEDKRVTDGGAAVKQHGDGAGIVASAQGTSTETPIDEIIAESDEIDAVLLALPNLEHDFIPRIAERFAEAEFEGVLIDVLKRSRVIGMLDDREETLVESGITFVCGAGATPGLLTGAAALAAQSFVEVEEVEIWWGVGLKSGYEDNRGTVREDIAHLDGYDIETAREMDESEIEAVIEEHDGVLEFNDMEHADDVLLERAGICDAEDVTVGGILDIRKDEKPTTTTVRVTGRTFDGKRGTNTFQLDDATSMAAN... | 0 |
15,700 | 69,336 | UN | 69,336 | P75691 | */C=C/SO>>*C/C=[S+]\[O-] | 5.3.99.12 | */C=C/SO>>*C/C=[S+]\[O-] | MKIKAVGAYSAKQPLEPMDITRREPGPNDVKIEIAYCGVCHSDLHQVRSEWAGTVYPCVPGHEIVGRVVAVGDQVEKYAPGDLVGVGCIVDSCKHCEECEDGLENYCDHMTGTYNSPTPDEPGHTLGGYSQQIVVHERYVLRIRHPQEQLAAVAPLLCAGITTYSPLRHWQAGPGKKVGVVGIGGLGHMGIKLAHAMGAHVVAFTTSEAKREAAKALGADEVVNSRNADEMAAHLKSFDFILNTVAAPHNLDDFTTLLKRDGTMTLVGAPATPHKSPEVFNLIMKRRAIAGSMIGGIPETQEMLDFCAEHGIVADIEMIR... | 0 |
15,701 | 78,815 | UN | 78,815 | Q7YS44 | [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 | MGKKVAIIGAGVSGLASIRSCLEEGLEPTCFEKSNDIGGLWKFSDHAEEGRASIYKSVFSNSSKEMMCFPDFPFPDDFPNFMHNSKIQEYIIAFAKEKNLLKYIQFKTFVSSVNKRPDFATTGQWDVTTERDGKKESAVFDAVMVCSGHHVYPNLPKESFPGLNHFKGKCFHSRDYKEPGVFNGKRVLVVGLGNSGCDIATELSRTAEQVMISSRSGSWVMSRVWDNGYPWDMLLVTRFGTFLKNNLPTAISDWLYVKQMNARFKHENYGLMPLNGVLRKEPVFNDELPASILCGIVSVKPNVKEFTETSAIFEDGTIFE... | 0 |
15,702 | 76,103 | UN | 76,103 | Q767F1 | CC1=C[C@H](O/C=C(\C=C\C2=C(C)CCCC2(C)C)C(=O)[O-])OC1=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>>COC(=O)C(/C=C/C1=C(C)CCCC1(C)C)=C/O[C@H]1C=C(C)C(=O)O1.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CSCC[C@H]([NH3+])C(=O)[O-])[C@@H](O)[C@H]1O | null | CC1=C[C@H](O/C=C(\C=C\C2=C(C)CCCC2(C)C)C(=O)O)OC1=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>>COC(=O)C(/C=C/C1=C(C)CCCC1(C)C)=C/O[C@H]1C=C(C)C(=O)O1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O | MNNADLYRKSNSLQKRDALRCLEEHANKIKWKKIGDRVIDLGCADGSVTDILKVYMPKNYGRLVGCDISEEMVKYANKHHGFGRTSFRVLDIEGDLTADLKQGFDHVFSFYTLHWIRDQERAFRNIFNLLGDEGDCLLLFLGHTPIFDVYRTLSHTEKWHSWLEHVDRFISPYHDNEDPEKEVKKIMERVGFSNIEVQCKTLFYVYDDLDVLKKSVAAINPFNIPKDILEDFLEDYIDVVREMRLLDRCNNNVGESVSIKFNYKVISVYARKLCLSLM | 0 |
15,703 | 70,812 | LR | 70,811 | J1H0Z7 | O=C(CO)[C@H](O)CS(=O)(=O)[O-].[H]C(=O)[C@H](O)COP(=O)([O-])[O-]>>[H]C(=O)CS(=O)(=O)[O-].O=C(CO)[C@@H](O)[C@H](O)COP(=O)([O-])[O-] | 2.2.1.15 | O=C(CO)[C@H](O)CS(=O)(=O)O.O=C[C@H](O)COP(=O)(O)O>>O=C(CO)[C@@H](O)[C@H](O)COP(=O)(O)O.O=CCS(=O)(=O)O | MNQPFEVKLEEHWLRDTYVDLLLEYAQKDDRIVALDADLMAASSVKRFSQQMPGRAIDVGVAEANMIGVAAGLAAMGKIPFTHSFTAFASRRVCDQVTLSVAYAGLNVKMVGSDPGITAELNGGTHMSMEDVSIMRNIPGMTVYEPVDSAQLRAAFPQILAHDGPVYIRLLRRPAVRIDSENDEFTLGKASLLREGGDVTILATGIMVAEALLAAEELAGQGIGAEVLNVHTVKPFDEEAVLRSAMKTGAVVTAENASVIGGLGSAAAECLGENCPVPLRRVGVRDCFGEVGLTDYLKEKFGLTAKEIVRAAHEVTERKN... | 1 |
15,704 | 81,487 | UN | 81,487 | Q9RHD7 | 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 | MKDLKVAVVGLGYVGLPLAVEFGKKRTVVGFDINQGRIAELRQGIDSTLEVDAAELKEASELSFTFNLQDLQKCNVFIVTVPTPIDEHKQPDLTPLVKASESIGKVLKKGDIVIYESTVYPGATEEDCVPVLEKFSGLRFNEDFFAGYSPERINPGDKEHRVSSIKKVTSGSTPEIAELVDSLYREIITAGTHKASSIKVAEAAKVIENTQRDLNIALINELAIIFNRMGIDTEAVLKAAGTKWNFMPFRPGLVGGHCIGVDPYYLTHKAQSIGYHPEIILAGRRLNDGMGAYVVSQLVKAMLKRRIHVDGARVLLMGLT... | 0 |
15,705 | 15,681 | UN | 15,681 | Q7W850 | [H]C(=O)/C(=C\C=C(/O)C(=O)[O-])CC(=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](O)[C@@H]3O)[C@@H](O)[C@H]2O)=C1.[H]O[H]>>O=C([O-])C/C(=C\C=C(/O)C(=O)[O-])C(=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... | 1.2.1.60 | 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.O=C/C(=C\C=C(/O)C(=O)O)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=C(O)C/C(=C\C=C(/O)C(=O)O)C(=O)O | MTHRIAFIGLGAIASDVAAGLLADAAQPCQLAALTRNAADLPPALAGRVALLDGLPGLLAWRPDLVVEAAGQQAIAEHAEGCLKAGLDMIICSAGALADDALRARLIAAAEAGGARIRVPAGAIAGLDYLQAVAGRDDAEVVYESRKPVAAWRAELPGMGIDPDTLAESRTLFSGPAREAALRFPKNLNVAATLALAGIGMTRTRVEVVVDPRARGNQHRIQVRSPLGEMQIELVNAPSPANPKTSWLVAQSVLATIRRHLARFTIG | 0 |
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