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 |
|---|---|---|---|---|---|---|---|---|---|
14,789 | 56,476 | UN | 56,476 | Q5SJP8 | *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.[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(Br)=C(Br)N1)C(*)... | null | *N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)c1ccc(Br)[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)c1cc(Br)c(Br)[nH]1)C(*)=O.Cc1cc2nc3c(=... | MARTGAEYIEALKTRPPNLWYKGEKVEDPTTHPVFRGIVRTMAALYDLQHDPRYREVLTYEEEGKRHGMSFLIPKTKEDLKRRGQAYKLWADQNLGMMGRSPDYLNAVVMAYAASADYFGEFAENVRNYYRYLRDQDLATTHALTNPQVNRARPPSGQPDPYIPVGVVKQTEKGIVVRGARMTATFPLADEVLIFPSTLLQAGSEKYALAFALPTSTPGLHFVCREALVGGDSPFDHPLSSRVEEMDCLVIFDDVLVPWERVFILGNVELCNNAYAATGALNHMAHQVVALKTAKTEAFLGVAALMAEGIGADVYGHVQE... | 0 |
14,790 | 81,167 | UN | 81,167 | O49561 | CCCCCC[C@@H](O)CCCCCC/C=C/[C@H](O)C[C@H](O)[C@H]([NH3+])C(=O)[O-].O=C([O-])CCC(=O)C(=O)[O-].O=O>>CCCCCC[C@@H](O)CCCCCC/C=C/[C@H](O)[C@@H](O)[C@H](O)[C@H]([NH3+])C(=O)[O-].O=C([O-])CCC(=O)[O-].O=C=O | null | CCCCCC[C@@H](O)CCCCCC/C=C/[C@H](O)C[C@H](O)[C@H](N)C(=O)O.O=C(O)CCC(=O)C(=O)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.O=C(O)CCC(=O)O.O=C=O | MDPPFNEIYNNLLYNQITKKDNDVSEIPFSFSVTAVVEEVELPVIDVSRLIDGAEEEREKCKEAIARASREWGFFQVINHGISMDVLEKMRQEQIRVFREPFDKKSKSEKFSAGSYRWGTPSATSIRQLSWSEAFHVPMTDISDNKDFTTLSSTMEKFASESEALAYMLAEVLAEKSGQNSSFFKENCVRNTCYLRMNRYPPCPKPSEVYGLMPHTDSDFLTILYQDQVGGLQLIKDNRWIAVKPNPKALIINIGDLFQAWSNGMYKSVEHRVMTNPKVERFSTAYFMCPSYDAVIECSSDRPAYRNFSFREFRQQVQED... | 0 |
14,791 | 80,235 | UN | 80,235 | P05093 | [H][C@@]12CC[C@H](C(C)C)[C@@]1(C)CC[C@]1(C)/C3=C/C[C@]4([H])[C@](C(=O)[O-])([C@H](O)C[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(=O)[O-])([C@H](O)[C@@H](O)[C@H](O... | null | CC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)C3=CC[C@H]4[C@](C)(C(=O)O)[C@@H](O)C[C@@H](O)[C@]4(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(=O)O)[C@@H](O)[C@H](O)[C@@H](O)[C@]4(C(=O)O)[C@H]3CC[C@@]21C.Cc1cc... | MWELVALLLLTLAYLFWPKRRCPGAKYPKSLLSLPLVGSLPFLPRHGHMHNNFFKLQKKYGPIYSVRMGTKTTVIVGHHQLAKEVLIKKGKDFSGRPQMATLDIASNNRKGIAFADSGAHWQLHRRLAMATFALFKDGDQKLEKIICQEISTLCDMLATHNGQSIDISFPVFVAVTNVISLICFNTSYKNGDPELNVIQNYNEGIIDNLSKDSLVDLVPWLKIFPNKTLEKLKSHVKIRNDLLNKILENYKEKFRSDSITNMLDTLMQAKMNSDNGNAGPDQDSELLSDNHILTTIGDIFGAGVETTTSVVKWTLAFLLH... | 0 |
14,792 | 69,536 | UN | 69,536 | P43863 | 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 | MIKKIAVLTSGGDAPGMNAAIRGVVRSALAEGLEVFGIYDGYQGLYNNKIKQLNRYSVSDVINRGGTFLGSARFPEFKDPNIRAKCAEILRSHGIDALVVIGGDGSYMGAKLLTEEHSFPCVGLPGTIDNDVAGTDYTIGYQTALQTAVDAIDRLRDTSSSHQRISIVEIMGRHCSDLTISAGIAGGCEYIVASEIEFNREELIQQIERSIIRGKRHAIIAITELLTDVHSLAKEIEARVGHETRATVLGHIQRGGSPCAFDRILASRMGAYAVDLLLQGKGGYCVGIQNEQLVHHDIIDAINNMQRVFKADWLKVAKRL... | 0 |
14,793 | 80,635 | UN | 80,635 | O33819 | [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]>>[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.O=S([O-])[O-].[H+].[H+].[H+] | null | NCCS(=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>>NCC=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 | MSPKLPQHGTVGVRTPLVDGVEKVTGKAKYTADIAAPDALVGRILRSPHAHARILAIDTSAAEALEGVIAVCTGAETPVPFGVLPIAENEYPLARDKVRYRGDPVAAVAAIDEVTAEKALALIKVDYEVLPAYMTPKAAMKAGAIALHDDKPNNILREVHAEFGDVAAAFAEADLIREKTYTFAEVNHVHMELNATLAEYDPVRDMLTLNTTTQVPYYVHLKVAACLQMDSARIRVIKPFLGGGFGARTEGLHFEIIAGLLARKAKGTVRLLQTREETFIAHRGRPWTEVKMKIGLKKDGKIAALALEATQAGGAYAGYG... | 0 |
14,794 | 76,684 | LR | 76,683 | E5Y8P8 | O=C([O-])CS(=O)(=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.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-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H... | null | 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.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)CS(=O)(=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)... | MKLFEYQAKEAFREKGLPTPKGVLVRGMDELDGAFAEVGFPCVLKSQVLSGGRGKAGLIKVVKDAESAKATAKTLFESEHNVRMLLVEEAVDIDREIYLSITVDPVESKIMLIGCAEGGVEIEKLAATDPDKIVTVRVDIAEGLGGYHVNNLTYGMGLSGDLGKQVGAVVRGLYKTFRAYDAQLAEINPLFITKDGKAIAGDGKLIIDDNSVWRQPSYPLTRDYFDSEVEFEAAQEGIPYLQFNGDIALMCAGAGLTTTVFDLINDAGGHPATYVEFGGANYTKAVRTMELCLKTPSKVILVVTFGTIARADVMAQGLVE... | 1 |
14,795 | 30,495 | UN | 30,495 | Q8SPK1 | 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 | MTVPALASASGLLQVASLLGLLLLLLKAAQLYLHRQWLLKALQQFPSPPSHWLYGHSREFQEESELPPLLKRVEKYPSACALWRWGTRAMVLVYDPDYMKVVLARSDPKNSVVYRLLIPWIGCGLLLLNGQTWFQRRRMLTPAFHYDILKPYVGLMAKSVQVMLDKWEQLVAQDPRLEIVGPVSLMTLDTIMKCAFSHQGSAQTDGDSHSYIQAIWDLKNLFSIRTKSAFLQNDIIYRLSPEGRKNHRAARIAHQHTDRVIQLRKAQLQKQGEMENVRKKRHLDFLDILLLARMEKGNSLSDTDLRAEVDTFMFEGHDTT... | 0 |
14,796 | 13,961 | UN | 13,961 | Q1XDU9 | 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)... | MSTAQSDALTFECETGNYHTFCPISCVSWLYQKIEDSFFLVIGTKTCGYFLQNAMGVMIFAEPRYAMAELEEGDISAKLNDYGELRRLCLQIKKDRNPSVIFWIGTCTTEIIKMDLEGIAPKLEAEIRVPIVVARANGLDYAFTQGEDTVLAAMAQRCPLNLKNQSDNTSLKTSPHIPLVLFGSLPDPVVTQLTMELKKQGIFVSGWLPSKRYTELPVIKEGYYVAGVNPFLSRTATTLMRRRKTKLIGAPFPIGPDGTRAWIEKICSVMNVKPIGLEDREKAIWASLEDYISLIRGKSVFFMGDNLLEVSLARFLTRCG... | 0 |
14,797 | 56,480 | UN | 56,480 | Q9HWT7 | *N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C1=CC(Br)=C(Br)N1)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=C(Br)C(Br)=C(Br... | null | *N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)c1cc(Br)c(Br)[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)c1[nH]c(Br)c(Br)c1Br)C(*)=O.Cc1cc2... | MKPEDFRASATRPFTGEEYLASLRDDREIYIYGDRVKDVTSHPAFRNAAASMARLYDALHDPQSKEKLCWETDTGNGGYTHKFFRYARSADELRQQRDAIAEWSRLTYGWMGRTPDYKAAFGSALGANPGFYGRFEDNAKTWYKRIQEACLYLNHAIVNPPIDRDKPVDQVKDVFISVDEEVDGGIVVSGAKVVATNSALTHYNFVGQGSAQLLGDNTDFALMFIAPMNTPGMKLICRPSYELVAGIAGSPFDYPLSSRFDENDAILVMDKVFIPWENVLIYRDFERCKQWFPQGGFGRLFPMQGCTRLAVKLDFITGAL... | 0 |
14,798 | 69,336 | UN | 69,336 | P0A4X1 | */C=C/SO>>*C/C=[S+]\[O-] | 5.3.99.12 | */C=C/SO>>*C/C=[S+]\[O-] | MSTVAAYAAMSATEPLTKTTITRRDPGPHDVAIDIKFAGICHSDIHTVKAEWGQPNYPVVPGHEIAGVVTAVGSEVTKYRQGDRVGVGCFVDSCRECNSCTRGIEQYCKPGANFTYNSIGKDGQPTQGGYSEAIVVDENYVLRIPDVLPLDVAAPLLCAGITLYSPLRHWNAGANTRVAIIGLGGLGHMGVKLGAAMGADVTVLSQSLKKMEDGLRLGAKSYYATADPDTFRKLRGGFDLILNTVSANLDLGQYLNLLDVDGTLVELGIPEHPMAVPAFALALMRRSLAGSNIGGIAETQEMLNFCAEHGVTPEIELIEP... | 0 |
14,799 | 49,504 | UN | 49,504 | Q5HPJ0 | [H]P(=O)([O-])CC(O)(CC(=O)[O-])C(=O)[O-]>>O=C([O-])C(O)C(C[PH](=O)[O-])C(=O)[O-] | 4.2.1.166 | O=C(O)CC(O)(C[PH](=O)O)C(=O)O>>O=C(O)C(O)C(C[PH](=O)O)C(=O)O | MASNIKEQAKKQFELNGQSYTYYDLQTLEEKGLAKISKLPYSIRVLLESVLRQEDDFVITDDHIKALSKFGNAGNEGEVPFKPSRVILQDFTGVPAVVDLASLRKAMNDVGGDINKINPEVPVDLVIDHSVQVDSYANPEALERNMKLEFERNYERYQFLNWATKAFDNYNAVPPATGIVHQVNLEYLANVVHVRDVDGEKTAFPDTLVGTDSHTTMINGIGVLGWGVGGIEAEAGMLGQPSYFPIPEVIGVRLTHSLPQGSTATDLALRVTEELRKKGVVGKFVEFFGPGVQHLPLADRATIANMAPEYGATCGFFPVD... | 0 |
14,800 | 21,372 | UN | 21,372 | D3RKL1 | 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 | MITLPARPESLTFAPQQSALIVVDMQNAYASQGGYLDLAGFDVSATRPVIDNINTAVAAARAAGMLIIWFQNGWDDQYVEAGGPGSPNYHKSNALKTMRQRPELQGKLLAKGGWDYQLVDELTPQEGDIVLPKPRYSGFFNTPLDSILRSRGIRHLVFTGIATNVCVESTLRDGFFLEYFGIVLEDATHQAGPAFAQQAALFNIETFFGWVSDVESFCHALSPATPLSLAKEKRYA | 0 |
14,801 | 13,961 | UN | 13,961 | A1WXI9 | 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)... | MTESASCHGGGVCGGLAQEEGQRQVFCGLTSIVWLHRKMRDAFFLVVGSRTCAHLLQSAAGVMIFAEPRFATAVLGERDLAGMADCNEELDRVVHELLARRPEIRTLFLVGSCPSEVIKLDLGKAAERLTAAHEGRVRVLPYSGSGLETTFTQGEDQFLTTLAHELPASPEGAPSLIVLGTLADVVEDQFRRLFDQLGIGPVHFLPPRTGADLPPVGPGTRVLQAQPFTGEATRALIRRGAERLDAPYPLGVEGTRSWLQAATRSFGVPDEQLEAVIEAPIARAQAALERQRGVLSGKRITFLPDSQLELPLARFLSEEC... | 0 |
14,802 | 81,131 | UN | 81,131 | A0A0N7F297 | COC1=CC(C[C@H]2C[NH2+][C@@H](CC3=CC=CC=C3)CN2)=CC(OC)=C1O.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>>COC1=C2OCOC2=CC(C[C@H]2C[NH2+][C@@H](CC3=CC=CC=C3)CN2)=C1.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]O[H].[H+] | null | COc1cc(C[C@H]2CN[C@@H](Cc3ccccc3)CN2)cc(OC)c1O.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>>COc1cc(C[C@H]2CN[C@@H](Cc3ccccc3)CN2)cc2c1OCO2.Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C.O.O | MDSLHCLETLLLGFFVLLPCFFYFVWKKPNNKIKEPPQPAGAWPIIGHLHLLARGDLPHKILSSFADKNGPVFKIQLGVHQALVVNNSEIAKECFTTNDRFFLNRPSGVAAKIMGYNYVMLGVAPYGPYWRDMRKIIMLEFLSNRRLQSLKHVWHSEISISSKELYKLWETQNIDFCLVDMKQWLADLTLNMSVKMVVGKRFFGSASASACEETESSNCPKTLRNMFRLMGSFVLSDYLPYLRWLDLGGHEKEMKRTVKELDILFKGWLDEHKRKRLSGGKEDDDQDFMDVMLSILEESKLGNDVDTINKTACLAIILGG... | 0 |
14,803 | 54,828 | UN | 54,828 | B8EIZ7 | C[NH2+]C.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+]>>C[NH3+].[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](OP(=O)([O-])[O-])[C@@H]3O)[C@@H](O)[C@H]2O... | 1.14.13.238 | CNC.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=O>>C=O.CN.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 | MTRVAIIGAGPSGLAQLRAFQSAGKKGAAIPELVCFEKQSDWGGLWNYTWRTGVDEYGEPVHGSMYRYLWSNGPKECLEFADYSFEEHFGRPIPSYPPRAVLHDYIMGRVEKSDVRKFVRFSTVVRWIDFDETTQLFTVTVKDLKKDELYSETFDYVVVASGHFSTPNVPHFPGIEVFPGRVLHAHDFRDANEFVGKNLLVVGSSYSAEDIASQCYKYGAKSITFSYRSKPLNFDWPECFTVKPLLTKLTGKTAHFKDGSEAVVDAVLLCTGYLHHFPFLADNLRLKTNNRLYPAGLYKGIFWQDNPKLIYLGMQDQYFT... | 0 |
14,804 | 27,630 | UN | 27,630 | P53839 | 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 | MSKKPIVLKLGKDAFGDQAWGELEKIADVITIPESTTREQFLREVKDPQNKLSQVQVITRTARSVKNTGRFDEELALALPSSVVAVCHTGAGYDQIDVEPFKKRHIQVANVPDLVSNATADTHVFLLLGALRNFGIGNRRLIEGNWPEAGPACGSPFGYDPEGKTVGILGLGRIGRCILERLKPFGFENFIYHNRHQLPSEEEHGCEYVGFEEFLKRSDIVSVNVPLNHNTHHLINAETIEKMKDGVVIVNTARGAVIDEQAMTDALRSGKIRSAGLDVFEYEPKISKELLSMSQVLGLPHMGTHSVETRKKMEELVVEN... | 0 |
14,805 | 18,601 | UN | 18,601 | Q9S4M7 | O=C([O-])C1=C(C(=O)[O-])C(O)=C(O)C=C1.[H+]>>O=C([O-])C1=CC(O)=C(O)C=C1.O=C=O | 4.1.1.69 | O=C(O)c1ccc(O)c(O)c1C(=O)O>>O=C(O)c1ccc(O)c(O)c1.O=C=O | MAKVYKDLREFLEVLEQEGQLIRVKEEVNPEPDIAAAGRAAANLGKNQPAVFFEKIKGYKYSVVTNVHGSWQNHALMLGLDKNTSTKDQFYELNRRWDKFPVPPNVVKREAAPCKENVIDKDINLFEILPLYRINEQDGGFYISKASVVTADPEYPDDFNKLNVGTYRIQVKDRDRVGIQALAMHDIAVQLEKAEAENKPLPIAITIGNNPLVTFMASTPVGYNQNEYEFVGALQDGVPMDIVKSDLYDHLYVPAGSEVVLEGHIIPRVRTVEGPFGEFPGSYSGARLQCEVKIDRITHRTNPIFENLYLGIPWTEIDYL... | 0 |
14,806 | 76,503 | UN | 76,503 | A7ZR09 | COC1=CC(/C=C/C(=O)[O-])=CC=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.[H]O[H]>>COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=CC(C=O)=C1.CC(=O)[O-] | 4.1.2.65 | COc1cc(/C=C/C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.O>>CC(=O)O.COc1cc(C=O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O | MQPNDITFFQRFQDDILAGRKTITIRDESESHFKTGDVLRVGRFEDDGYFCTIEVTATSTVTLDTLTEKHAEQENMTLTELIKVIADIYPGQTQFYVIEFKCL | 0 |
14,807 | 80,319 | UN | 80,319 | P19100 | [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)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([... | 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)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)C[C@H](O)[C@]4(C)[C@H]3CC[C@... | MWVLLVFFLLTLTYLFWPKTKGSGAKYPRSLPVLPVVGSLPFLPRRGHQHMNFFKLQDKYGPIFSFRLGSKTTVVIGDHQLAKEVLLKKGKEFSGRPRVMTLDILSDNQKGIAFADHGTSWQLHRKLALSTFSLFKGGNLKLENIINQEIKVLCDFLATRNGESIDLAQPLSLAMTNIVSFICFNFSFKKGDPALQAIVNFNDGILDAVGKEILYDMFPGIRILPSQTLENMKQCVRMRNELLREILENRKENYSRNSITNLLDIMIQAKTNAESNTGGPDHNLKLLSDRHMLATVADIFGAGVETSASVVKWIVAFLLH... | 0 |
14,808 | 69,272 | UN | 69,272 | O04318 | C=CC/C([S-])=N/OS(=O)(=O)[O-]>>C=CCN=C=S.O=S(=O)([O-])[O-] | null | C=CC/C(S)=N/OS(=O)(=O)O>>C=CCN=C=S.O=S(=O)(O)O | MAQKLVAQGGETGDVWDDGVYDNVTKVYVGQGQYGIAFVKFEYANGSEVVVGDEHGEKTELGVEEFEIDSDDYIVYVEGYREKVSDMTSEMITFLSFKTSKGKTSQPIVKKPGVKFVLHGGKIVGFHGRSTDVLHSLGAYVSLPSTPKLLGNWIKVEQNGEGPGLRCSHGIAQVGNKIYSFGGELIPNQPIDKHLYVFDLETRTWSIAPATGDVPHLSCLGVRMVSVGSTLYTFGGRDFSRQYNGFYSFDTTTNEWKLLTPVEEGPTPRSFHSMAADEENVYVFGGVGAMDRIKTLDSYNIVDKTWFHCSNPGDSFSIRG... | 0 |
14,809 | 33,087 | UN | 33,087 | Q8MMH3 | 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 | MWSPLILPLLAQIFACAFGDAVNEGCNVDPKGIHGLWYLDEPFGVYLSAIYNGSLAYIMMKERVPAIVTTVINSLEQDNDEIVQKYGVESQEELHRIVDSLKSLKTELSTNQPLTNLPLAHDEADRDAAVWNEHLDRQREIEGPNLSYFFTRFLLAESYTFRKMAHAFALAKNVRNFDFFGKQKEHLLTNSAKSLPILAHRALLEANRSKATKDEMREELAKFLKLSLWGNRFDLAASSGHEITQAGDPIELLSSFDEDLLIDHTRVAWDILNKPHGPNDPVIVDIVLDNAGYELFNDLCLATFLVSRGLATKVRFHAKQ... | 0 |
14,810 | 59,064 | UN | 59,064 | S5DWK8 | 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 | MPSSSGVDSTQELLDAQAHIWNHIFNHINSMTLKWAVQLGIPDIIHKHDKPMTLSQLADAIPINRAKSDALHRIMRILVHSKFFDRVRTLPNEEEAYCLTRASRLLLRDEPLSLTPFALAVLDEDLMGTFHCVPEWFGNECPSPLEFKHEKSIREFAENNQRWSLLFNEGMANDARLVGSILAKESRKVFEGLETMVDVGGGTGMVSKAIVDAFPGMKGIVLDLPYVVSGLKGSGNLRYVGGDMFHSVPPADAVFLKWILHNWSDDECIKILEKCKEAITTSKNMKGGKVIIVDMILGYEKQQDEAVETQLFFDMMMMTT... | 0 |
14,811 | 76,143 | UN | 76,143 | P9WKL5 | [H][C@]12C[C@]3([H])N(C/C1=C/C)[C@]1([H])C[C@]4(C5=C(C=CC=C5)N[C@@]43O1)[C@@H]2C(=O)OC.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>>[H][C@]12C[C@]3([H])N(C/C1=C/C)[C@]1([H])C[C@]4(C5=C(C=CC=C5)N(C)[C@@]43O1)[C@@H]2C(=O)OC.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CSCC[C@H]([NH3+])C(=O)[O-])[... | null | C/C=C1/CN2[C@@H]3C[C@@]45c6ccccc6N[C@]4(O3)[C@@H]2C[C@@H]1[C@H]5C(=O)OC.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>C/C=C1/CN2[C@@H]3C[C@@]45c6ccccc6N(C)[C@]4(O3)[C@@H]2C[C@@H]1[C@H]5C(=O)OC.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O | MSTVLTYIRAVDIYEHMTESLDLEFESAYRGESVAFGEGVRPPWSIGEPQPELAALIVQGKFRGDVLDVGCGEAAISLALAERGHTTVGLDLSPAAVELARHEAAKRGLANASFEVADASSFTGYDGRFDTIVDSTLFHSMPVESREGYLQSIVRAAAPGASYFVLVFDRAAIPEGPINAVTEDELRAAVSKYWIIDEIKPARLYARFPAGFAGMPALLDIREEPNGLQSIGGWLLSAHLG | 0 |
14,813 | 76,091 | UN | 76,091 | Q8TAV3 | CC1=C[C@H](O/C=C(\C=C\C2=C(C)CCCC2(C)C)CO)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=O)\C=C\C2=C(C)CCCC2(C)C)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]O[H].[H+] | null | CC1=C[C@H](O/C=C(\C=C\C2=C(C)CCCC2(C)C)CO)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=O)\C=C\C2=C(C)CCCC2(C)C)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.O | MALLLLLFLGLLGLWGLLCACAQDPSPAARWPPGPRPLPLVGNLHLLRLSQQDRSLMELSERYGPVFTVHLGRQKTVVLTGFEAVKEALAGPGQELADRPPIAIFQLIQRGGGIFFSSGARWRAARQFTVRALHSLGVGREPVADKILQELKCLSGQLDGYRGRPFPLALLGWAPSNITFALLFGRRFDYRDPVFVSLLGLIDEVMVLLGSPGLQLFNVYPWLGALLQLHRPVLRKIEEVRAILRTLLEARRPHVCPGDPVCSYVDALIQQGQGDDPEGLFAEANAVACTLDMVMAGTETTSATLQWAALLMGRHPDVQG... | 0 |
14,814 | 76,423 | UN | 76,423 | Q9L9F1 | CCCC[C@H](O)C1=C(CO)C(O)=CC=C1.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CCCC[C@H](O)C1=C(CO)C(O)=C(CC=C(C)C)C=C1.O=P([O-])([O-])OP(=O)([O-])O | null | CC(C)=CCOP(=O)(O)OP(=O)(O)O.CCCC[C@H](O)c1cccc(O)c1CO>>CCCC[C@H](O)c1ccc(CC=C(C)C)c(O)c1CO.O=P(O)(O)OP(=O)(O)O | MPALPMNQEFDRERFRVDLRATAAAIGAPVTPRVTDTVLETFRDNFAQGATLWKTTSQPGDQLSYRFFSRLKMDTVGRAVDAGLLDGTHPTVPIVEDWSDLYGGTPVQSADFDAGRGMAKTWLYFGGLRPAEDILSVPALPAPVQARLKDFLGLGLAHVRFAAVDWRHRSANVYFRGQGPLDTAQFARVHALSGGTPPAADVVAEVLAYVPEDYCVAITLDLHTGAIDRVCFYALKVPKDARPRVPARIATFLEVAPSHDPEECNVIGWSFGRSGDYVKAERSYTGNMTEILSGWNCFFHGEEGRDHDLRALQDTGSITG... | 0 |
14,815 | 77,183 | UN | 77,183 | O13940 | 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 | MSGSVTSTTTETRLCPSNQGSAKKYRPWNDFRSDTLTVPTDEMRRIMYEASDGDCVYEEDEDTRKLEVYVAKLTGKEAALFVTSGTQGNQLCIRSHLHQPPHSIICDDRAHIYNWEAGAIGLFTQAIVRPISPKNNVYITAEEIENKLILGNDIHFSPTGLICLENTIKGAVVPLDEVARISGLAKAHKIPLHCDGARLWDAAVASNVSIKEYCSYFDSVSLCLSKGLAAPVGSIIVGPRDFIAKAKWFRKAYGGGLRQSGMLAAAGLYSIQHNFPLLKQVHKYAIEVAEYAESLGIELEVPTQSNMVTLANINVAILCD... | 0 |
14,816 | 78,500 | LR | 78,499 | Q0ZQ40 | 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 | MRWLGRGERVVHDSRFLTVSVADVELPGGETVEHHFVRAPGAAIIVVQDERQRILMMYRHRFVSDLWGWELPGGLVDDREDPAVTAAREAEEETGYRPRNVRHLLTYQPMAGMVDSPHHIYLADGADLVGGPTECTEAQETRWMPLDEAAELLRSGRTVTSGTAIGLLAVLGLGGARQQPGGVQEQPGGAQQQGMNESHSGRTVRG | 1 |
14,817 | 42,352 | UN | 42,352 | P08159 | [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 | MSSKLATPLSIQGEVIYPDDSGFDAIANIWDGRHLQRPSLIARCLSAGDVAKSVRYACDNGLEISVRSGGHNPNGYATNDGGIVLDLRLMNSIHIDTAGSRARIGGGVISGDLVKEAAKFGLAAVTGMHPKVGFCGLALNGGVGFLTPKYGLASDNILGATLVTATGDVIYCSDDERPELFWAVRGAGPNFGVVTEVEVQLYELPRKMLAGFITWAPSVSELAGLLTSLLDALNEMADHIYPSVFVGVDENRAPSVTVCVGHLGGLDIAERDIARLRGLGRTVSDSIAVRSYDEVVALNAEVGSFEDGMSNLWIDREIAM... | 0 |
14,818 | 81,131 | UN | 81,131 | L7T720 | COC1=CC(C[C@H]2C[NH2+][C@@H](CC3=CC=CC=C3)CN2)=CC(OC)=C1O.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>>COC1=C2OCOC2=CC(C[C@H]2C[NH2+][C@@H](CC3=CC=CC=C3)CN2)=C1.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]O[H].[H+] | null | COc1cc(C[C@H]2CN[C@@H](Cc3ccccc3)CN2)cc(OC)c1O.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>>COc1cc(C[C@H]2CN[C@@H](Cc3ccccc3)CN2)cc2c1OCO2.Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C.O.O | MEMETSVLGLSSTLIIALAITVIFLLKAKSSSAIKWPPGPKTLPIIGNLHQLGGDELHIVLAKLARVHGAIMTIWMAKKPVIVVSDVNSVWEVLVSKSSDYAARDAAEISKIVSASSHSINTSDSGPYWQTLRRGLTHGPLGPLNISAQIPIQQRDMQRVIREMQQDAAANGGVIKPLDHLKRSSTRLVSRLIFGDTFDNDPYNDSMHEVVQDLNRFGGIALLEQAFSFAKYLPSYKRGVKEFHIHKRKIDDLVRPVVASSNPPSNSYLGFLQSQNYSEEIIIACIFELYLLAMDSSASTATWALAFMIRDQQVQEKLYQ... | 0 |
14,819 | 12,885 | UN | 12,885 | Q5E9T1 | *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... | MAIPHASNETSYLLPPNKEDWEGQGIPDFVYEQEELMMEGVQWPRGALSLLNTPPLSHFDSALCSAWRQRMELGLFRYPLGELPTQTLPGTVGFVAQLNVERGVQRRCPQNIKSVRQEFDPEQFNFNQIRPGEVLFRLHRKQDCSGTVQQEDILVVINVSPLEWGHVLLVPEPARGLPQRLLPGALRAGVEAVLLSSHPGFRVGFNSLGGLASVNHLHLHGYYLAHRLPVEGAPSEPLDPRGRLHVLQALPAPGFLFYTSRPGPDLEALISRVCRATDYLTDCEIAHNLFVTRGAPPGKATSSSALSGVRVILWPRKPSF... | 0 |
14,820 | 65,796 | UN | 65,796 | A0R525 | CN(C)C(=O)NC1=CC=CC=C1.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.O=O.[H+].[H+]>>CNC(=O)NC1=CC=CC=C1.[H]C([H])=O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H] | null | CN(C)C(=O)Nc1ccccc1.O=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1>>C=O.CNC(=O)Nc1ccccc1.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1 | MTDEPLGSHVLELQVAEVVEETSDARSLVFTVPEGAEIAADRLRYSPGQFLTLRVPSDRTGSVARCYSLSSSPTTDDRLTVTVKRTADGYASNWLCDNAHAGMRIHVLAPSGTFVPKDLDTDFLLLAAGSGITPMMAICKSALAEGTGNVVLIYANRDENSVIFAGALRELAAKYPDRLTVVHWLETVQGLPTAAGLGALAKPFAGREAFICGPGPFMTAAEDALRAAGTPDDHIHIEVFKSLESDPFAAVVIPEDDGDDQGPATAVVTLDGTTHEIRWPRSAKLLDVLLDKGLDAPFSCREGHCGACAVLKKSGEVHME... | 0 |
14,821 | 69,468 | UN | 69,468 | O25130 | 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 | MKEFAYSEPCLDKEDKKAVLEVLNSKQLTQGKRSLLFEEALCEFLGVKHALVFNSATSALLTLYRNFSEFSADRNEIITTPISFVATANMLLESGYTPVFAGIKNDGNIDELALEKLINERTKAIVSVDYAGKSVEVESVQKLCKKHSLSFLSDSSHALGSEYQNKKVGGFALASVFSFHAIKPITTAEGGAVVTNDSELHEKMKLFRSHGMLKKDFFEGEVKSIGHNFRLNEIQSALGLSQLKKAPFLMQKREEAALTYDRIFKDNPYFTPLHPLLKDKSSNHLYPILMHQKFFTCKKLILESLHKRGILAQVHYKPIY... | 0 |
14,822 | 78,767 | UN | 78,767 | Q7SIC2 | O=C1/C=C(/C2=CC=C(O)C(O)=C2)OC2=C1C(O)=CC([O-])=C2[C@@H]1O[C@H](CO)[C@@H](O)C(=O)[C@H]1O>>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)cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc23)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 | DTSSLIVEDAPDHVRPYVIRHYSHARAVTVDTQLYRFYVTGPSSGYAFTLMGTNAPHSDALGVLPHIHQKHYENFYCNKGSFQLWAQSGNETQQTRVLSSGDYGSVPRNVTHTFQIQDPDTEMTGVIVPGGFEDLFYYLGTNATDTTHTPYIPSSSDSSSTTGPDSSTISTLQSFDVYAELSFTPRTDTVNGTAPANTVWHTGANALASTAGDPYFIANGWGPKYLNSQYGYQIVAPFVTATQAQDTNYTLSTISMSTTPSTVTVPTWSFPGACAFQVQEGRVVVQIGDYAATELGSGDVAFIPGGVEFKYYSEAYFSKV... | 0 |
14,823 | 65,820 | UN | 65,820 | C5BK13 | *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 | MSNTFDNALAQPQTGMDLEGVSTVAPRKKSRKNARVTLNDPGVQATQKVIAYLTIIVPLLGLVAALYLAYQNGISQLDIALLVGMYLLTNLGIEMGYHRLFAHRTFKTFGFVHYLLMVFGQMAGEGGVIYWVATHRRHHIHSDTALDPHSPHTCHTGAEPEELNLRRGLLHAHLGWMVNDKVTNSALFTEDLTRDPLTKAINDLYFPILILGLIIPAAIGGIVTNSWYGALTGFLWGGLVRMFFVTHSTWLNGSFAHRYGSKPFETGDHSANNFWCAIPTFGASWQNNHHAFPLSAMLGLKWWQIDIAWYFIWVFEKLGL... | 1 |
14,824 | 62,560 | UN | 62,560 | C5I9X1 | [H][C@]1(C(=C)C)CC=C(C)CC1.*.[H]O[H]>>[H][C@]1(C(=C)C)CC=C(CO)CC1.[H]*[H] | 1.17.99.8 | C=C(C)[C@H]1CC=C(C)CC1.O>>C=C(C)[C@H]1CC=C(CO)CC1 | MSSGANGSSKSASHKIKFTKLFINGEFVDSISGNTFDTINPATEEVLATVAEGRKEDIDLAVKAAREAFDNGPWPRMSGEARRKIMLKFADLIDENADELTTLEVIDGGKLFGPVRHFEVPVSSDTFRYFAGAADKIRGATLKMSSNIQAYTLREPIGVVGHIIPWNGPAFMFATKVAPALAAGCTMVIKPAEHTPLTVLFLAHLSKLAGVPDGVINVVNGFGKTAGAAVSSHMDIDMVTFTGSTEVGRTVMQAAALSNLKPVSLELGGKSPLIVFDDADVDKAAEFAILGNFTNKGEMCVAGSRVFVQEGIHDVFVKKL... | 0 |
14,825 | 50,684 | UN | 50,684 | P49090 | [NH3+][C@@H](CCC(=O)NC1=CC=CC=C1)C(=O)[O-].[H]O[H]>>NC1=CC=CC=C1.[NH3+][C@@H](CCC(=O)[O-])C(=O)[O-].[H+] | 3.5.1.123 | N[C@@H](CCC(=O)Nc1ccccc1)C(=O)O.O>>N[C@@H](CCC(=O)O)C(=O)O.Nc1ccccc1 | MCGIFAAFKHEDIHNFKPKALQLSKKIRHRGPDWSGNAVMNSTIFVHERLAIVGLDSGAQPITSADGEYMLGVNGEIYNHIQLREMCSDYKFQTFSDCEPIIPLYLEHDIDAPKYLDGMFAFCLYDSKKDRIVAARDPIGVVTLYMGRSSQSPETVYFASELKCLTDVCDSIISFPPGHVYDSETDKITRYFTPDWLDEKRIPSTPVDYHAIRHSLEKAVRKRLMAEVPYGVLLSGGLDSSLIAAIAARETEKANADANEDNNVDEKQLAGIDDQGHLHTSGWSRLHSFAIGLPNAPDLQAARKVAKFIGSIHHEHTFTL... | 0 |
14,826 | 70,811 | UN | 70,811 | Q6B855 | 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 | MEAYHKPDQQKLQALKDTANRLRISSIQATTAAGSGHPTSCCSAAEIMAVLFFHTMRYKALDPRNPHNDRFVLSKGHAAPILYAVWAEAGFLPESELLNLRKINSDLDGHPVPKQAFTDVATGSLGQGLGAACGMAYTGKYFDKASYRVYCMLGDGELSEGSVWEAMAFASIYKLDNLVAILDINRLGQSDPAPLQHQMDIYQKRCEAFGWNAVIVDGHSVEELCKAFGQVKNQPTAIIAKTFKGRGITGIEDKESWHGKPLPKNMADQIIQEISGQIQSKKKILATPPEEDAPSVDITNIRMPTPPNYKVGDKIATRKA... | 0 |
14,827 | 68,808 | UN | 68,808 | B7LXB1 | OC[C@H]1O[C@H](OC[C@H]2OC(O)(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)(CO)[C@@H](O)[C@@H]1O | 3.2.1.219 | O.OC[C@H]1O[C@H](OC[C@H]2OC(O)(CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O>>OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O.OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O | MKSPAPSRPQKMALIPACIFLCFAALSVQAEETPVTPQPPDILLGPLFNDVQNAKLFPDQKTFADAVPNSDPLMILADYRMQQNQSGFDLRHFVNVNFTLPKEGEKYVPPEGQSLREHIDGLWPVLTRSTENTEKWDSLLPLPEPYVVPGGRFREVYYWDSYFTMLGLAESGHWDKVADMVANFAHEIDTYGHIPNGNRSYYLSRSQPPFFALMVELLAQHEGDAALKQYLPQMQKEYAYWMDGVENLQAGQQEKRVVKLQDGTLLNRYWDDRDTPRPESWVEDIATAKSNPNRPATEIYRDLRSAAASGWDFSSRWMDN... | 0 |
14,828 | 80,875 | UN | 80,875 | Q1G1A4 | 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 | MWRLKLSEGDEESVNQHVGRQFWEYDNQFGTSEERHHINHLRSNFTLNRFSSKHSSDLLYRFQCWKEKGKGMERLPQVKVKEGEERLINEEVVNVTLRRSLRFYSILQSQDGFWPGDYGGPLFLLPALVIGLYVTEVLDGTLTAQHQIEIRRYLYNHQNKDGGWGLHVEGNSTMFCTVLSYVALRLMGEELDGGDGAMESARSWIHHHGGATFIPSWGKFWLSVLGAYEWSGNNPLPPELWLLPYSLPFHPGRMWCHCRMVYLPMSYLYGRRFVCRTNGTILSLRRELYTIPYHHIDWDTARNQCAKEDLYYPHPKIQDV... | 0 |
14,829 | 46,772 | UN | 46,772 | Q9M879 | *OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(*)=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.O=O.[H+].[H+]>>*OC[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(*)=O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H].[H]O[H] | 1.14.19.28 | *OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(*)=O.O=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1>>*OC[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(*)=O.O.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1 | MAMAMDRIVFSPSSYVYRPCQARGSRSSRVSMASTIRSATTEVTNGRKLYIPPREVHVQVKHSMPPQKLEIFKSLEGWADETLLTYLKPVEKSWQPTDFLPEPESEGFYDQVKELRERCKELPDDYFVVLVGDMITEEALPTYQTMLNTLDGVRDETGASPTPWAIWTRAWTAEENRHGDLLNKYLYLSGRVDMRQIEKTIQYLIGSGMDPKTENNPYLGFIYTSFQERATFISHGNTARLAKDRGDLKLAQICGTIAADERRHETAYTKIVEKLFEIDPDGTILGLADMMKKKISMPAHLMYDGQDDNLFEHFSTVAQR... | 0 |
14,830 | 76,503 | UN | 76,503 | B5BFL5 | COC1=CC(/C=C/C(=O)[O-])=CC=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.[H]O[H]>>COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=CC(C=O)=C1.CC(=O)[O-] | 4.1.2.65 | COc1cc(/C=C/C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.O>>CC(=O)O.COc1cc(C=O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O | MQPNDITFFQRFQNDILAGRKTITIRDASESHFKAGDVLRVGRFEDDGYFCTIEVTGTSTVTLDTLNEKHAQQENMSLDELKRVIAEIYPNQTQFYVIDFKCL | 0 |
14,831 | 79,687 | UN | 79,687 | Q93YV0 | 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 | MKSSYGSSSNDLHAFVNEIKGEIQLSNINLDPYSFVSPSAYDTAWLSMIEEDINVDDNELKPMFQGCLDWIMCNQNAREGFWMNSTSYTTVADGRDEDGEKDMCILTSTLACVVALQKWNIGCFHLHKGTRYIERNTEMIIGKYINEEGSYPRWFAIKFTGILELAQKLGLHFVFSSRCIEMIKGMFYQRQEIIQREKLVHDCNYKPLLAYLEVLPSKLYVTNQEDIIVKSLDSMDGSLFQSPSATASAFMLTRNTKCLAYLQNLVQKCPNGVPQKYPLNEDLIKLSMVNLIESTGLGEFFGIEIEHVLEQVYSRYEEKD... | 0 |
14,832 | 78,231 | UN | 78,231 | Q3U129 | *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... | MEVSENATTRGSLALVSIILPVHNAEQWLDECLMSVLQQDFEGAMELSVFNDASKDKSRAIIEKWKVKLEDSGISVVIGGHDSPSPRGVGYSKNQAVAQSTGSYLCFLDSDDVMMPQRVRMQYEAAGQHPTSIIGCQVRRDPPDSTERYTRWINHLTSDQLLTQVFTSHGPTVIMPTWFCSRAWFSHVGPFDEGGQGVPEDLLFFYEHLRKGGGVFRVDHSLLLYRYHLYAATHSVLEMTIWTHRVHFLEEQVLPHWKSFTIWNAGKQGRKLYRSLTAASRHKVVAFCDVDENKIRKGFYCYEDSQERPKPKVPILHFQA... | 1 |
14,833 | 18,601 | UN | 18,601 | Q38HX3 | O=C([O-])C1=C(C(=O)[O-])C(O)=C(O)C=C1.[H+]>>O=C([O-])C1=CC(O)=C(O)C=C1.O=C=O | 4.1.1.69 | O=C(O)c1ccc(O)c(O)c1C(=O)O>>O=C(O)c1ccc(O)c(O)c1.O=C=O | MRHYDCKNYINLDCEKGLCALTKGMVPIDGEGSEACPNFKPAEKCGNCKNFCNPDKYGLGTCTGLEKENWAYATCGASACPSYKAE | 0 |
14,834 | 66,952 | UN | 66,952 | Q3YVH0 | 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... | MTVLIHVLGSDIPHHNRTVLRFFNDALAATSEHAREFMVVGKDDGLSDSCPALSVQFFPGKKSLAEAVIAKAKANRQQRFFFHGQFNPTLWLALLSGGIKPSQFFWHIWGADLYELSSGLRYKLFYPLRRLAQKRVGCVFATRGDLSFFAKTHPKVRGELLYFPTRMDPSLNTMANDRQREGKMTILVGNSGDRSNDHIAALRAVHQQFGDTVKVVVPMGYPPNNEAYIEEVRQAGLELFSEENLQILSEKLEFDAYLALLRQCDLGYFIFARQQGIGTLCLLIQAGIPCVLNRENPFWQDMTEQHLPVLFTTDDLNEDI... | 0 |
14,835 | 46,772 | UN | 46,772 | P32063 | *OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(*)=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.O=O.[H+].[H+]>>*OC[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(*)=O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H].[H]O[H] | 1.14.19.28 | *OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(*)=O.O=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1>>*OC[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(*)=O.O.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1 | MAMKLNALMTLQCPKRNMFTRIAPPQAGRVRSKVSMASTLHASPLVFDKLKAGRPEVDELFNSLEGWARDNILVHLKSVENSWQPQDYLPDPTSDAFEDQVKEMRERAKDIPDEYFVVLVGDMITEEALPTYMSMLNRCDGIKDDTGAQPTSWATWTRAWTAEENRHGDLLNKYLYLSGRVDMRMIEKTIQYLIGSGMDTKTENCPYMGFIYTSFQERATFISHANTAKLAQHYGDKNLAQVCGNIASDEKRHATAYTKIVEKLAEIDPDTTVIAFSDMMRKKIQMPAHAMYDGSDDMLFKHFTAVAQQIGVYSAWDYCD... | 0 |
14,836 | 78,411 | UN | 78,411 | O80476 | 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 | MSEEKRKQHFVLVHGACHGAWCWYKVKPLLEALGHRVTALDLAASGIDTTRSITDISTCEQYSEPLMQLMTSLPNDEKVVLVGHSFGGLSLALAMDKFPDKISVSVFVTAFMPDTKHSPSFVEEKFASSMTPEGWMGSELETYGSDNSGLSVFFSTDFMKHRLYQLSPVEDLELGLLLKRPSSLFINELSKMENFSEKGYGSVPRAYIVCKEDNIISEDHQRWMIHNYPANLVIEMEETDHMPMFCKPQLLSDHLLAIADNFC | 0 |
14,837 | 58,824 | UN | 58,824 | A0R525 | 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 | MTDEPLGSHVLELQVAEVVEETSDARSLVFTVPEGAEIAADRLRYSPGQFLTLRVPSDRTGSVARCYSLSSSPTTDDRLTVTVKRTADGYASNWLCDNAHAGMRIHVLAPSGTFVPKDLDTDFLLLAAGSGITPMMAICKSALAEGTGNVVLIYANRDENSVIFAGALRELAAKYPDRLTVVHWLETVQGLPTAAGLGALAKPFAGREAFICGPGPFMTAAEDALRAAGTPDDHIHIEVFKSLESDPFAAVVIPEDDGDDQGPATAVVTLDGTTHEIRWPRSAKLLDVLLDKGLDAPFSCREGHCGACAVLKKSGEVHME... | 0 |
14,838 | 78,811 | UN | 78,811 | Q9KRL3 | 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 | MSILQIGAGGVGWVVAHKAAQNNDVLGDITIASRSIAKCEKIIESIKGKNNLKDSSKKLEARQVNADDIESLVKLINEVKPDLVINAGPPWVNVAIMEACYQAKVSYLDTSVSVDLCSKGQQVPEAYDAQWAFRDKFKQAGITAILSAGFDPGVVSVFAAYAAKYLFDEIDTIDVLDINAGDHGKKFATNFDPETNLLEIQGDSIYWDAGEWKRVPCHTRMLEFDFPKCGKFKVYSMSHDELRSLKEFIPAKRIEFWMGFGDRYLNYFNMMRDIGLLSPEPLTLQDGTVVKPLQVLKAMLPDPTSLAPGYKGLTCIGTWV... | 0 |
14,839 | 76,091 | UN | 76,091 | Q9DBX6 | CC1=C[C@H](O/C=C(\C=C\C2=C(C)CCCC2(C)C)CO)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=O)\C=C\C2=C(C)CCCC2(C)C)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]O[H].[H+] | null | CC1=C[C@H](O/C=C(\C=C\C2=C(C)CCCC2(C)C)CO)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=O)\C=C\C2=C(C)CCCC2(C)C)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.O | MEAASTWALLLALLLLLLLLSLTLFRTPARGYLPPGPTPLPLLGNLLQLRPGALYSGLLRLSKKYGPVFTVYLGPWRRVVVLVGHDAVREALGGQAEEFSGRGTLATLDKTFDGHGVFFANGERWKQLRKFTLLALRDLGMGKREGEELIQAEVQSLVEAFQKTEGRPFNPSMLLAQATSNVVCSLVFGIRLPYDDKEFQAVIQAASGTLLGISSPWGQAYEMFSWLLQPLPGPHTQLQHHLGTLAAFTIQQVQKHQGRFQTSGPARDVVDAFLLKMAQEKQDPGTEFTEKNLLMTVTYLLFAGTMTIGATIRYALLLLL... | 0 |
14,841 | 59,216 | UN | 59,216 | I0DFJ0 | O=C([O-])CC1=CN/C2=C\C=C/C=C\12.[H+]>>CC1=CNC2=CC=CC=C12.O=C=O | 4.1.1.115 | O=C(O)Cc1c[nH]c2ccccc12>>Cc1c[nH]c2ccccc12.O=C=O | MSENLQLSAEEMRQLGYQAVDLIIDHMNHLKSKPVSETIDSDILRNKLTESIPENGSDPKELLHFLNRNVFNQITHVDHPHFLAFVPGPNNYVGVVADFLASGFNVFPTAWIAGAGAEQIELTTINWLKSMLGFPDSAEGLFVSGGSMANLTALTVARQAKLNNDIENAVVYFSDQTHFSVDRALKVLGFKHHQICRIETDEHLRISVSALKKQIKEDRTKGKKPFCVIANAGTTNCGAVDSLNELADLCNDEDVWLHADGSYGAPAILSEKGSAMLQGIHRADSLTLDPHKWLFQPYDVGCVLIRNSQYLSKTFRMMPE... | 0 |
14,842 | 78,975 | UN | 78,975 | P07277 | 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 | MSLPFLTSAPGKVIIFGEHSAVYNKPAVAASVSALRTYLLISESSAPDTIELDFPDISFNHKWSINDFNAITEDQVNSQKLAKAQQATDGLSQELVSLLDPLLAQLSESFHYHAAFCFLYMFVCLCPHAKNIKFSLKSTLPIGAGLGSSASISVSLALAMAYLGGLIGSNDLEKLSENDKHIVNQWAFIGEKCIHGTPSGIDNAVATYGNALLFEKDSHNGTINTNNFKFLDDFPAIPMILTYTRIPRSTKDLVARVRVLVTEKFPEVMKPILDAMGECALQGLEIMTKLSKCKGTDDEAVETNNELYEQLLELIRINHG... | 0 |
14,843 | 69,651 | UN | 69,651 | P34227 | CC(C)(OO)C1=CC=CC=C1.[NH3+][C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)[O-])C(=O)[O-].[NH3+][C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)[O-])C(=O)[O-]>>CC(C)(O)C1=CC=CC=C1.[NH3+][C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])C(=O)NCC(=O)[O-])C(=O)[O-].[H]O[H] | null | CC(C)(OO)c1ccccc1.N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O.N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O>>CC(C)(O)c1ccccc1.N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O.O | MFSRICSAQLKRTAWTLPKQAHLQSQTIKTFATAPILCKQFKQSDQPRLRINSDAPNFDADTTVGKINFYDYLGDSWGVLFSHPADFTPVCTTEVSAFAKLKPEFDKRNVKLIGLSVEDVESHEKWIQDIKEIAKVKNVGFPIIGDTFRNVAFLYDMVDAEGFKNINDGSLKTVRSVFVIDPKKKIRLIFTYPSTVGRNTSEVLRVIDALQLTDKEGVVTPINWQPADDVIIPPSVSNDEAKAKFGQFNEIKPYLRFTKSK | 0 |
14,844 | 69,611 | UN | 69,611 | Q83PS8 | 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 | MLNQKIQNPNPDELMIEVDLCYELDPYELKLDEMIEAEPEPEMIEGLPASDALTPADRYLELFEHVQSAKIFPDSKTFPDCAPKMDPLDILIRYRKVRRHRDFDLRKFVENHFWLPEVYSSEYVSDPQNSLKEHIDQLWPVLTREPQDHIPWSSLLALPQSYIVPGGRFSETYYWDSYFTMLGLAESGREDLLKCMADNFAWMIENYGHIPNGNRTYYLSRSQPPVFALMVELFEEDGVRGARRYLDHLKMEYAFWMDGAESLIPNQAYRHVVRMPDGSLLNRYWDDRDTPRDESWLEDVETAKHSGRPPNEVYRDLRAG... | 0 |
14,845 | 77,883 | UN | 77,883 | P25079 | O=C(COP(=O)([O-])[O-])[C@H](O)[C@H](O)COP(=O)([O-])[O-].[H]O[H]>>O=C(COP(=O)([O-])[O-])[C@H](O)[C@H](O)CO.O=P([O-])([O-])O | 3.1.3.109 | O.O=C(COP(=O)(O)O)[C@H](O)[C@H](O)COP(=O)(O)O>>O=C(COP(=O)(O)O)[C@H](O)[C@H](O)CO.O=P(O)(O)O | MSPQTETKASVGFKAGVKEYKLTYYTPEYQTKDTDILAAFRVTPQPGVPPEEAGAAVAAESSTGTWTTVWTDGLTSLDRYKGRCYRIERVVGEKDQYIAYVAYPLDLFEEGSVTNMLTSIVGNVFGFKALRALRLEDLRIPVAYVKTFQGPPHGIQVERDKLNKYGRPLLGCTIKPKLGLSAKNYGRAVYECLRGGLDFTKDDENVNSQPFMRWRDRFLFCAEALFKAQAETGEIKGHYLNATAGTCEEMMKRAVFARELGTPIVMHDYLTGGFTANTTLAHYCRDNGLLLHIHRAMHAVIDRQKNHGMHFRVLAKALRM... | 0 |
14,846 | 81,995 | UN | 81,995 | A0A0A1HA03 | CCCC/C=C/C=C/CC1=C(C(=O)[O-])C(O)=CC(OC(=O)C2=C(C/C=C/C=C/CCCC)C=C(O)C=C2O)=C1.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>>CCCC/C=C/C=C/CC1=C(C(=O)[O-])C(O)=CC(OC(=O)C2=C(C/C=C/C=C/CCCC)C=C(O)C(C3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C2O)=C1.O=C1C=CN... | null | CCCC/C=C/C=C/Cc1cc(OC(=O)c2c(O)cc(O)cc2C/C=C/C=C/CCCC)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>>CCCC/C=C/C=C/Cc1cc(OC(=O)c2c(C/C=C/C=C/CCCC)cc(O)c(C3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2O)cc(O)c1C(=O)O.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP... | MMGDLTTSFPATTLTTNDQPHVVVCSGAGMGHLTPFLNLASALSSAPYNCKVTLLIVIPLITDAESHHISSFFSSHPTIHRLDFHVNLPAPKPNVDPFFLRYKSISDSAHRLPVHLSALSPPISAVFSDFLFTQGLNTTLPHLPNYTFTTTSARFFTLMSYVPHLAKSSSSSPVEIPGLEPFPTDNIPPPFFNPEHIFTSFTISNAKYFSLSKGILVNTFDSFEPETLSALNSGDTLSDLPPVIPIGPLNELEHNKQEELLPWLDQQPEKSVLYVSFGNRTAMSSDQILELGMGLERSDCRFIWVVKTSKIDKDDKSELR... | 0 |
14,847 | 78,091 | UN | 78,091 | A8Z1R5 | 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-] | MIDKNQTCGVGQDSVPYMICLIHILEEWFGVEQLEDYLNFANYLLWVFTPLILLILPYFTIFLLYLTIIFLHIYKRKNVLKEAYSHNLWDGARKTVATLWDGHAAVWHGYEVHGMEKIPEDGPALIIFYHGAIPIDFYYFMAKIFIHKGRTCRVVADHFVFKIPGFSLLLDVFCALHGPREKCVEILRSGHLLAISPGGVREALISDETYNIVWGHRRGFAQVAIDAKVPIIPMFTQNIREGFRSLGGTRLFRWLYEKFRYPFAPMYGGFPVKLRTYLGDPIPYDPQITAEELAEKTKNAVQALIDKHQRIPGNIMSALL... | 0 |
14,848 | 56,376 | UN | 56,376 | A0A142C7A0 | 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 | MTSPQTHVIVIGAGITGLLTCQGLKKAGISYSCFERDTSLNSRSNEWTMAIHWSLPLLAEILPTEVRAKLATIACNPVAGIHSGLYPIIHGETGDLITGVPYKDGLRVPRSKMRALCAEGIDVQYGKTLADVAFNESGNGVVATFTDGTLVAGTMIVGADGPRSRVRETAMGDAKLAATTSFPIFHTNMTVCYNDAEKAKFVREKYPTSYLALSERSFHAFQSISSMPDGPDHPETWVFHMAMAWMGQSDNAMCYAERLALVKSKAEGLGEPARSAFMWMPEETEVHKADISYWISQPWNNRDGRLTLVGDAAHPMPPYR... | 0 |
14,849 | 56,376 | UN | 56,376 | Q9LKC0 | 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 | MENMFRLMGSEDSSDRRRCIWVNGPVIVGAGPSGLATAACLREEGVPFVVLERADCIASLWQKRTYDRIKLHLPKKVCQLPKMPFPEDYPEYPTKRQFIEYLESYANKFEITPQFNECVQSARYDETSGLWRIKTTSSSSSGSEMEYICRWLVVATGENAEKVVPEIDGLTTEFEGEVIHSCEYKSGEKYRGKSVLVVGCGNSGMEVSLDLANHNANASMVVRSSVHVLPREILGKSSFEISMMLMKWFPLWLVDKILLILAWLILGNLTKYGLKRPTMGPMELKIVSGKTPVLDIGAMEKIKSGEVEIVPGIKRFSRSH... | 0 |
14,850 | 80,319 | UN | 80,319 | Q8HYN1 | [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)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([... | 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)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)C[C@H](O)[C@]4(C)[C@H]3CC[C@... | MWELVALLLLTLAYLFWPKRRCPGAKYPKSLLSLPLVGSLPFLPRHGHMHNNFFKLQKKYGPIYSVRMGTKTTVIVGHHQLAKEVLIKKGKDFSGRPQMATLDIASNNRKGIAFADSGAHWQLHRRLAMATFALFKDGDQKLEKIICQEISTLCDMLATHNGQSIDISFPVFVAVTNVISLICFNTSYKNGDPELNIIQNYNEGIIDNLSKDSLVDLVPWLKIFPNKTLEKLKSHVKIRNDLLNKILENYKEKFRSDSITNMLDTLMQAKMNSDNGNAGPDQDSELLSDNHILTTIGDIFGAGVETTTSVVKWTLAFLLH... | 0 |
14,851 | 76,543 | UN | 76,543 | J3QPC3 | 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 | MTSPCSFPLKPTISPIIHETPDTNIPPPLPLNPPDLALPSPPCSLHTSISSPLPPPPPPPAPPPPPPPPPLPSAVEPVLPHVYGLKNSQLLKEALEKAGPAPKGKEDVKRLLKLHKDRFRSDLQWILFCADLPSCIQEGPQCGLVALWMAEALLSTPDSVSLERLVQVAKERGYTAQGEMFSVADMAKLAQETLDCQAELLCGGLGGPNRERVLQHLITGHPLLIPYDEDFNHEPCQKKGHKAHWAVSAGVLIGVQNVPSPGYIEDSELPGLFHPVPGAPHQPPSFPEESSPGALFLLSKQGKSWHYQLWDYSQVRESNL... | 0 |
14,852 | 46,772 | UN | 46,772 | P19099 | *OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(*)=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.O=O.[H+].[H+]>>*OC[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(*)=O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H].[H]O[H] | 1.14.19.28 | *OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(*)=O.O=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1>>*OC[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(*)=O.O.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1 | MALRAKAEVCVAAPWLSLQRARALGTRAARAPRTVLPFEAMPQHPGNRWLRLLQIWREQGYEHLHLEMHQTFQELGPIFRYNLGGPRMVCVMLPEDVEKLQQVDSLHPCRMILEPWVAYRQHRGHKCGVFLLNGPEWRFNRLRLNPDVLSPKAVQRFLPMVDAVARDFSQALKKKVLQNARGSLTLDVQPSIFHYTIEASNLALFGERLGLVGHSPSSASLNFLHALEVMFKSTVQLMFMPRSLSRWISPKVWKEHFEAWDCIFQYGDNCIQKIYQELAFNRPQHYTGIVAELLLKAELSLEAIKANSMELTAGSVDTTA... | 0 |
14,853 | 78,487 | UN | 78,487 | Q2L1L0 | NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])CCC([NH3+])C(=O)[O-])[C@@H](O)[C@H]2O)C=C1.[H+]>>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.O=C=O | null | Nc1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)CCC(N)C(=O)O)[C@@H](O)[C@H]2O)c(=O)n1>>NCCCP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O.O=C=O | MTQAAEATLPPLNVPSYVKHARLIDWVQGVVALTKPARVVWCDGSQEEADRLCEQMVQAGTMRRLNPAKRPNSYLAWSDPSDVARVEDRTFICSQREEDAGPTNNWAAPAEMRNTLQGLFDGAMRGRTLYVVPFSMGPLGSPIAHIGVELSDSPYVAVNMRIMTRMGRAVWDVLGADGEFVPCVHSVGMPLAEGQADVAWPCNPVKYIVHYPETREIWSFGSGYGGNALLGKKCFALRIASTMGRDEGWLAEHMLILGVTTPKGRKFHVAAAFPSACGKTNFAMLIPPSGMDGWKVSTIGDDIAWIKPGQDGRLRAINPE... | 0 |
14,854 | 18,601 | UN | 18,601 | Q6TGZ5 | O=C([O-])C1=C(C(=O)[O-])C(O)=C(O)C=C1.[H+]>>O=C([O-])C1=CC(O)=C(O)C=C1.O=C=O | 4.1.1.69 | O=C(O)c1ccc(O)c(O)c1C(=O)O>>O=C(O)c1ccc(O)c(O)c1.O=C=O | MTSYTDKGEKPERGKFLNFHHIKFWVGNAKQAAVFYCDKFGFEPLAYKGLETGSREVVSHAVRQDKIIFVFESALNPGNEEMGEHMIKHGDGVKDVAFLVEDCDFLVKKAKERGAAVLKEPWVEQDAGGKVKYAIVQTYGDTTHTFVEYLGPYKGLFLPGYKEPLFRDPLLPKLPSGHLSFIDHIVGNQPDDEMVPVSDWYQKCLLFHRFWSIDDKQIHTEYSALRSIVVTNYEETIKMPINEPAMGKKKSQIQEYIDYNGGPGVQHIALNTSNIIQAIVNLRARGLEFLSAPDNYYESLREKLKTAKIKVKEDLKTLQE... | 0 |
14,855 | 30,479 | UN | 30,479 | P70687 | CC[C@H](C)[C@H]([NH3+])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](NO)C(=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+].[H+] | null | CC[C@H](C)[C@H](N)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](NO)C(=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 | MWELVALLLLTLAYFFWSKSKTCGAKSPKSLPFLPLVGSLPFIPRHGHPHVNFFKLQEKYGPIYSLRLGSTTTVIIGQYQLAKEVLVKKGKEFSGRPHMVTLGLLSDQGKGIAFADSGGSWQLHRKLALSSFALFRDGNQKLEKIICQKASSLCDFLLTHNEESIDLSEPIFNSITNIICIICFGISYENRDPILATIKSFTEGILNSLGNDHLVDIFPWLTIFPNKTVDMIKKNVKIRDEVLSGILEKCKEKFNSDSISSLMDLLIQAKTNADNNNTSEGQGSNAFSDMHILATIADIFGAGIETTASVLSWIIAFLLH... | 0 |
14,856 | 49,512 | UN | 49,512 | Q4HVQ9 | O=C([O-])C/C(=C/[PH](=O)[O-])C(=O)[O-].[H]O[H]>>O=C([O-])C(O)C(C[PH](=O)[O-])C(=O)[O-] | null | O.O=C(O)C/C(=C/[PH](=O)O)C(=O)O>>O=C(O)C(O)C(C[PH](=O)O)C(=O)O | MVALRRAVALNAVAIARLQTRALTARTRSLALASSQYRAYKTSSRQHAFHSQLENTPTPSAFQYQKPPTVENPQTLVEKIAQQYAVGLAPGKKIKAGDYIALAPHHCMSHDNTWPIAKKFLDIGASKIHNNRQVVFTLDHDVQNKSEANLKKYSLIHEFAEKHGVIHYPAGRGIGHQIMVEEGYAWPGTVSVASDSHSNMYGGIGCLGTAVVRTDAASIWATGQTWWQVPPVAKVTFTGILPPGVTGKDVIIALCGLFRDDQVLNHAVEFAGGESLPIDDRLTISNMTTEWGALAGVFPVDEMLISWYRGKATTNAMFGG... | 0 |
14,857 | 74,107 | UN | 74,107 | Q9N0U7 | C[C@H]1CCCC2=CCC(C(C)(C)O)C[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>>C[C@H]1CCCC2=CC=CC[C@]21C.CC(C)=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]O[H].[H+] | null | C[C@H]1CCCC2=CCC(C(C)(C)O)C[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)=O.C[C@H]1CCCC2=CC=CC[C@]21C.Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C.O.O | MWVLLGVFLLTLAYLFWPKTKHSAAKYPRSLPSLPLVGSLLFLPRRGQQHENFFKLQEKYGPIYSFRLGSKTTVMIGHHQLAREVLLKKGKEFSGRPKVATLDILSDNQKGIAFADHGAHWQLHRKLVLNAFALFKDGNLKLEKIINQEANVLCDFLATQHGQSIDLSEPLSLAVTNIISFICFNFSFKNEDPALKAIQNVNDGILEVLSKEILLDIFPALKIFPSKAMEKMKGCVETRNELLNEILEKCQENFTSDSITNLLHILMQAKVNADNNNAGPDQDSKLLSNRHMLATIADIFGAGVETTTSVIKWIVAYLLH... | 0 |
14,858 | 49,504 | UN | 49,504 | P36683 | [H]P(=O)([O-])CC(O)(CC(=O)[O-])C(=O)[O-]>>O=C([O-])C(O)C(C[PH](=O)[O-])C(=O)[O-] | 4.2.1.166 | O=C(O)CC(O)(C[PH](=O)O)C(=O)O>>O=C(O)C(O)C(C[PH](=O)O)C(=O)O | MLEEYRKHVAERAAEGIAPKPLDANQMAALVELLKNPPAGEEEFLLDLLTNRVPPGVDEAAYVKAGFLAAIAKGEAKSPLLTPEKAIELLGTMQGGYNIHPLIDALDDAKLAPIAAKALSHTLLMFDNFYDVEEKAKAGNEYAKQVMQSWADAEWFLNRPALAEKLTVTVFKVTGETNTDDLSPAPDAWSRPDIPLHALAMLKNAREGIEPDQPGVVGPIKQIEALQQKGFPLAYVGDVVGTGSSRKSATNSVLWFMGDDIPHVPNKRGGGLCLGGKIAPIFFNTMEDAGALPIEVDVSNLNMGDVIDVYPYKGEVRNHE... | 0 |
14,859 | 24,060 | UN | 24,060 | A0A4D6Q414 | O=C([O-])[C@H](CC1=CC=C(O)C=C1)NO.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([O-])[C@H](CC1=CC=C(O)C=C1)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 | 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=C(O)[C@H](Cc1ccc(O)cc1)NO.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.O=C(O)[C@H](Cc1ccc(O)cc1)N(O)O | MTMTSLDIILFISAIVFLSIYYYNLFSNAKRSNGLKLPPGPKGYPVLGNLPQLGAKPHQALQAFSRVYGPLMRLRLGSVDLVVASSPSVAAQFLKNDSNFCARPPNSGAEHMAFNYHDLVFAPYGPRWRLLRKLSAVHLLGPKALDDNQNVREEELAVLARMLYERSRGGEPVNVGKEMHVCSTNALSRAMMGRRVFEKLAVGGGGVEEEEEMKKAEEFKDMVVEVMTLAGVFNIGDFVPWLKPFDIQGVVRKMKRVHRRYNVFLDKFIAECRSSAKPGANDLLSVLIGQRGKSDGSGGEITDTAIKALVLNLLTAGTDT... | 0 |
14,860 | 69,412 | UN | 69,412 | P30041 | CC(C)(C)OO.[NH3+][C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)[O-])C(=O)[O-].[NH3+][C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)[O-])C(=O)[O-]>>CC(C)(C)O.[NH3+][C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])C(=O)NCC(=O)[O-])C(=O)[O-].[H]O[H] | null | CC(C)(C)OO.N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O.N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O>>CC(C)(C)O.N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O.O | MPGGLLLGDVAPNFEANTTVGRIRFHDFLGDSWGILFSHPRDFTPVCTTELGRAAKLAPEFAKRNVKLIALSIDSVEDHLAWSKDINAYNCEEPTEKLPFPIIDDRNRELAILLGMLDPAEKDEKGMPVTARVVFVFGPDKKLKLSILYPATTGRNFDEILRVVISLQLTAEKRVATPVDWKDGDSVMVLPTIPEEEAKKLFPKGVFTKELPSGKKYLRYTPQP | 0 |
14,861 | 76,427 | UN | 76,427 | Q9WU19 | 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 | MLPRLVCISDYEQHVRSVLQKSVYDYYRSGANDQETLADNIQAFSRWKLYPRMLRNVADIDLSTSVLGQRVSMPICVGATAMQCMAHVDGELATVRACQTMGTGMMLSSWATSSIEEVAEAGPEALRWMQLYIYKDREISRQIVKRAEKQGYKAIFVTVDTPYLGNRIDDVRNRFKLPPQLRMKNFETNDLAFSPKGNFGDNSGLAEYVAQAIDPSLSWDDITWLRRLTSLPIVVKGILRGDDAKEAVKHGVDGILVSNHGARQLDGVPATIDVLPEIVEAVEGKVEVFLDGGVRKGTDVLKALALGAKAVFVGRPIIWG... | 0 |
14,862 | 78,483 | UN | 78,483 | Q5IW36 | [NH3+]C(CCP(=O)([O-])O)C(=O)[O-].NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C=C1>>NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])CCC([NH3+])C(=O)[O-])[C@@H](O)[C@H]2O)C=C1.O=P([O-])([O-])OP(=O)([O-])O | null | NC(CCP(=O)(O)O)C(=O)O.Nc1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)n1>>Nc1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)CCC(N)C(=O)O)[C@@H](O)[C@H]2O)c(=O)n1.O=P(O)(O)OP(=O)(O)O | MSAEQIAGTGVIHGRFQPLHLGHLEYLLAGAERCRTLVVGITNPDPWTTTEETTDPERGLPESNPCTFYERYLMVEGALTEAGVSHERLRIVPFPHSFPERLAHYAPADARYFVTVYDDWGDAKLDRFHALGLRTEVMWRRTDKPVSGGRVRRSIAEGQPWEHLVPPAVARVVKECGIDERIRA | 0 |
14,863 | 79,687 | UN | 79,687 | A0A0P0ZD79 | 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 | MSQSSDFILNSTLSSVVERSTPDIAGFCSGYELRRHHHEHLANEGSLRCRTDWEQFIGPIERWGSCNPWEGHFGAVVLPFCKPERLAVICYIFEYAFLYDNVVESAAKSTLNLNTDNIALDETEYRTVRSILGTKQIQSKMLLELLSIDAPRAEVVINSWKEMISTTAKKDKTRAFNNLEEYVDYRIIDTGAPFVDMLMRFGMGIMLTQEEQKRIEPIVKPCYAALGLANDYFSFDIEWEEFQAESDKTTMTNAVWLFMQWENLNAEQAKRRVQEVTKQYEQQYLRNIADFAAGEGKENIKLQTYLKAQGYQVPGNVAWS... | 0 |
14,864 | 56,476 | UN | 56,476 | P96072 | *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.[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(Br)=C(Br)N1)C(*)... | null | *N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)c1ccc(Br)[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)c1cc(Br)c(Br)[nH]1)C(*)=O.Cc1cc2nc3c(=... | MRSLDAARDTCERLHPGLIKALEELPLLEREAEGSPVLDIFRAHGGAGLLVPSAYGGHGADALDAVRVTRALGACSPSLAAAATMHNFTAAMLFALTDRVIPPTDEQKKLLARVAPEGMLLASGWAEGRTQQDILNPSVKATPVDDGFILNGSKKPCSLSRSMDILTASVILPDETGQQSLAVPLIMADSPGISVHPFWESPVLAGSQSNEVRLKDVHVPEKLIIRGTPDDPGRLDDLQTATFVWFELLITSAYVGAASALTELVMERDRGSVTDRAALGIQLESAVGLTEGVARAVRDGVFGEEAVAAALTARFAVQKT... | 0 |
14,865 | 78,655 | UN | 78,655 | A9GK58 | CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]>>[H][C@@]12CC[C@@H](C)[C@@]13C=CC[C@@]3(C)CC2(C)C.O=P([O-])([O-])OP(=O)([O-])O | null | CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>C[C@@H]1CC[C@H]2C(C)(C)C[C@]3(C)CC=C[C@]123.O=P(O)(O)OP(=O)(O)O | MHRALLCPFPATTPHPQAAQLANDCLEWTRKCGLLPDESPRTLDKVRSYSALAAHCYPDAHFERLRAICDYYSWLFFFDDVCENTSLNGAEPKVVSSLLFDVYGVLRGPTAAVGHAPFAQALADIWRRIGDGCPGFWRRRLIRHVENYIDGCVWEAQNRQLDRVPSRAVFEGMRMHTSTMYEFWDFIEYAGDLFLPDEVVEHPLVAEVRRAGNAIASFANDIYSLRKETSNRDVHNLVVVLMHEERIELEAAYARAAGIHDAQVEHFLDLVKHLPTFSATIDRNLARYVEGIRIWIRANHDWSIVTPRYNEPDAR | 0 |
14,866 | 78,719 | UN | 78,719 | C4ZW66 | O=C1[C@@H](O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@H]1O.[H]O[H]>>O=C1[C@@H](O)C(O)O[C@H](CO)[C@H]1O.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O | 3.2.1.218 | O.O=C1[C@@H](O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@H]1O>>O=C1[C@@H](O)C(O)O[C@H](CO)[C@H]1O.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O | MLNQKIQNPNPDELMIEVDLCYELDPYELKLDEMIEAEPEPEMIEGLPASDALTPADRYLELFEHVQSAKIFPDSKTFPDCAPKMDPLDILIRYRKVRRHRDFDLRKFVENHFWLPEVYSSEYVSDPQNSLKEHIDQLWPVLTREPQDHIPWSSLLALPQSYIVPGGRFSETYYWDSYFTMLGLAESGREDLLKCMADNFAWMIENYGHIPNGNRTYYLSRSQPPVFALMVELFEEDGVRGARRYLDHLKMEYAFWMDGAESLIPNQAYRHVVRMPDGSLLNRYWDDRDTPRDESWLEDVETAKHSGRPPNEVYRDLRAG... | 0 |
14,867 | 64,856 | UN | 64,856 | Q08603 | 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 | MGTQQKDVTIKSDAPDTLLLEKHADYIASYGSKKDDYEYCMSEYLRMSGVYWGLTVMDLMGQLHRMNKEEILVFIKSCQHECGGVSASIGHDPHLLYTLSAVQILTLYDSIHVINVDKVVAYVQSLQKEDGSFAGDIWGEIDTRFSFCAVATLALLGKLDAINVEKAIEFVLSCMNFDGGFGCRPGSESHAGQIYCCTGFLAITSQLHQVNSDLLGWWLCERQLPSGGLNGRPEKLPDVCYSWWVLASLKIIGRLHWIDREKLRSFILACQDEETGGFADRPGDMVDPFHTLFGIAGLSLLGEEQIKPVSPVFCMPEEVL... | 0 |
14,868 | 79,263 | UN | 79,263 | P15245 | CC1=CC(=O)O/C2=C\C(OS(=O)(=O)[O-])=C/C=C\12.OC1=CC=CC=C1>>O=S(=O)([O-])OC1=CC=CC=C1.CC1=CC(=O)O/C2=C\C(O)=C/C=C\12 | null | Cc1cc(=O)oc2cc(OS(=O)(=O)O)ccc12.Oc1ccccc1>>Cc1cc(=O)oc2cc(O)ccc12.O=S(=O)(O)Oc1ccccc1 | MTKYSESYCDVLIVGAGPAGLMAARVLSEYVRQKPDLKVRIIDKRSTKVYNGQADGLQCRTLESLKNLGLADKILSEANDMSTIALYNPDENGHIRRTDRIPDTLPGISRYHQVVLHQGRIERHILDSIAEISDTRIKVERPLIPEKMEIDSSKAEDPEAYPVTMTLRYMSDHESTPLQFGHKTENSLFHSNLQTQEEEDANYRLPEGKEAGEIETVHCKYVIGCDGGHSWVRRTLGFEMIGEQTDYIWGVLDAVPASNFPDIRSPCAIHSAESGSIMIIPRENNLVRFYVQLQARAEKGGRVDRTKFTPEVVIANAKKI... | 0 |
14,869 | 78,419 | UN | 78,419 | Q84BZ3 | O=C([O-])NC1=NC2=CC=CC=C2N1.[H+]>>NC1=NC2=CC=CC=C2N1.O=C=O | null | O=C(O)Nc1nc2ccccc2[nH]1>>Nc1nc2ccccc2[nH]1.O=C=O | MEQTASPVVFAARDDASDVHFPHDDGSRVPYKVFSSRAVYDREQERIFRGPTWNFVALEAEIPNAGDFKSTFVGDTPVVVTRTEDGALSAWVNRCAHRGAQVCRKSRGNASSHTCVYHQWSFDNEGNLLGVPFRRGQKGMTGMPADFDPKQHGLRKLRVDSYRGLVFATFSDDVAPLPDYLGAQMRPWIDRIFHKPIEYLGCTRQYSKSNWKLYMENVKDPYHASMLHLFHTTFNIFRVGMKARSIPDANHGLHSIITVTKTGDDTSAAYKQQNIRSFDEGFHLEDESILDLVSEYDEDCTNHIQPIFPQLVIQQIHNTL... | 0 |
14,870 | 49,236 | UN | 49,236 | Q6GEN9 | *N[C@@H](CC1=CN=CN1P(=O)([O-])[O-])C(*)=O.OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O>>O=P([O-])([O-])OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O.*N[C@@H](CC1=CNC=N1)C(*)=O | 2.7.1.211 | *N[C@@H](Cc1cncn1P(=O)(O)O)C(*)=O.OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O>>*N[C@@H](Cc1c[nH]cn1)C(*)=O.O=P(O)(O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O | MMQKLIAQIEKGKPFFEKLSRNIYLRAIRDGFISAMPVILFSSIFLLIAYVPNIFGFKWDKGMEAILMKPYNYTMGLVAFLVAGTTAKSLTDSFNRKLESTNQINFISTMLAAMCGFLFLASDPAKDGGFLSAFMGTKGLLTAFLSAFVTVIVYNFCVKRNITIKMPKEVPPNISQVFKDLIPFSAVIIILYALDLVIRNSFKSNVAEGILKLFEPLFTAADGWIGVTIIFGAFALFWFVGIHGPSIVEPAIAAITYANIEANFKLLQAGEHADKIITSGTQMFIVTFGGTGATLVVPFMFMWMTKSKRNKAIGRASVVP... | 0 |
14,871 | 69,252 | UN | 69,252 | F2WP51 | 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 | MKLNALSTATHGSRSSPVKLWKFSTSFLLAASIIVSGQSWAAETAKPATDATKAANDALLKELPFDDKTSFDLAHKGFIAPLPAEPIKGEKGNMIWDPSKYGFIKEGEAAPDTTNPSLWRQSQLINISGLFEVTDGIYQVRNYDLSNMTIVEGKDGITIFDPLISQETAKAALDLYYKHRPKKPVVAVIYTHSHVDHYGGVRGVVDEADVKAGKVKIYAPLGFLEHAVAENVMAGTAMSRRASYMYGNLLPPDAKGQLGAGLGTTTSAGTVTLIPPTDIIKETGETHVIDGLTYEFMYAPGSEAPAEMLYYIKEKKALNA... | 0 |
14,872 | 13,961 | UN | 13,961 | Q20EY2 | 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)... | MKLAYWMYSGPAHIGTLRVASSFKNVHAIMHAPLGDDYFNVMRSMLQRERDFTPVTASIVDRHVLARGSQEKVVDNITRKDKEDNPDLILLTPTCTSSILQEDLQNFVNQAELDLETDVILADVNHYRVNELQAADRTLEQITRHYIEKAKRQGQLDIQKSEKPTANILGVFTLGFHNQHDCRELKRLLNDLGIEVNEIIPEGAFVESLKNLPKAWFNLIPYREVGLMTAQYLKKEFNMPYISTTPMGIVDTATCVREICKTVASLRLSFGVDTPQKQLKETNISSTKVDLVLKVEENREAKPLNTSMEVLGESKLRFGP... | 0 |
14,873 | 69,312 | UN | 69,312 | P49789 | O=S(=O)([O-])O/N=C(\[S-])CC1=CC=CC=C1>>N#CSCC1=CC=CC=C1.O=S(=O)([O-])[O-] | 4.8.1.7 | O=S(=O)(O)O/N=C(\S)Cc1ccccc1>>N#CSCc1ccccc1.O=S(=O)(O)O | MSFRFGQHLIKPSVVFLKTELSFALVNRKPVVPGHVLVCPLRPVERFHDLRPDEVADLFQTTQRVGTVVEKHFHGTSLTFSMQDGPEAGQTVKHVHVHVLPRKAGDFHRNDSIYEELQKHDKEDFPASWRSEEEMAAEAAALRVYFQ | 0 |
14,874 | 75,903 | UN | 75,903 | A3NRA5 | [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 | MDTSSINAQSIFDDNAAMLKLSWLTGHEGWERGFSADTVANATSSADLVGHLNLIHPNRIQVLGEAEIDYYQRQTDEDRSRHMAELIALEPPFLVVAGGAAAPPELVLRCTRSSTPLFTTPMSAAAVIDSLRLYMSRILAPRATLHGVFLDILGMGVLLTGDSGLGKSELGLELISRGHGLVADDAVDFVRLGPDFVEGRCPPLLQNLLEVRGLGLLDIKTIFGETAVRRKMKLKLIVQLVRRPDGEFQRLPLESQTVDVLGLPISKVTIQVAAGRNLAVLVEAAVRNTILQLRGIDTLRDFMDRQRLAMQDPDSQFPGK... | 0 |
14,875 | 78,655 | UN | 78,655 | Q54P86 | CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]>>[H][C@@]12CC[C@@H](C)[C@@]13C=CC[C@@]3(C)CC2(C)C.O=P([O-])([O-])OP(=O)([O-])O | null | CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>C[C@@H]1CC[C@H]2C(C)(C)C[C@]3(C)CC=C[C@]123.O=P(O)(O)OP(=O)(O)O | MSLSLGDIKFPDNWDLIPNEKNYIDYVYKESIELEVWRPNNKRDLMAHNNVVSLAKYFWPHVDFNRLVMGGELMVWFFSFDDVLDAGIYTDEKQMDLVKRMDNVFINGTVESDATGPEKMALHLRKKCEVMCGKRRKDTFNRFISSCVQWVDSIIPFNKLRSAQGTSPHLELYSYLRKVNIGAYPCVTLTEVMLDHEIEYYIWSDPKWIKMNEDIAIITTLINDLVSYEKEVNDQAGDLNPLYFLQNQKNIPLPDSYKQVVDLIDFWVKDYQTMEQSLLNEMEFKDSKQRSDMEFILEHLRYLASGSKKWSMQTPRYCSP... | 0 |
14,876 | 75,771 | UN | 75,771 | Q06367 | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)[O-].[H]O[H]>>CC/C=C\C/C=C\C[C@@H](O)CCCCCCCCC(=O)[O-] | null | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O.O>>CC/C=C\C/C=C\C[C@@H](O)CCCCCCCCC(=O)O | MSTSAMELLLTATIFCLVLWVVRIFRPQVPKGLKSPPGPWGWPLIGHMLTLGKNPHLALTRLSARYGDVLQIRIGSTPVVVLSGLDTIRQALVRQGDDFKGRPDLYSFTFISDGQSMTFNPDSGPVWAARRRLAQSALKSFSVASDPASVSSCYLEEHVKKEAEYLIKKFQELMAGPGHFDPYRYVVVSVANVISAICFGQRYSHDDQQLLELIDLNNEFGEVTGSGNPSDFIPILRYLPSATMDTFKDLNRRFSVFIQKMIKEHYKTFEKGHIRDITDSLIEHCQDRKLDKNANIQISDQKIIGIVLDLFGAGFDTITT... | 0 |
14,877 | 79,287 | UN | 79,287 | D3S7P2 | [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-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O>>O=C1CCC(=O)N(O)CCCCNC(=O)CCC(=O)N(O)CCCCN1.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)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>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=C1CCC(=O)N(O)CCCCNC(=O)CCC(=O)N(O)CCCCN1.O=P(O)(O)OP(=O)(O)O | MYSIKMRASKNGKHISGAERIVNKDEIEDVARELIKRALTHENGTPDFINIKIEEIKEDIEYIDHLPIKTIHCKNKEEAREKAREILRNEGIPDKVIDYAYEIIDKGGMRGAAILNLKGERLEPDKERGVRVKNIDTTKELKEKILKEKLGTERTVDAIAIASKVIHLGVIAELCTSDNKSYTTGYVATKRGYFRITNLKKEGESGGRVFFVKNDVNIEDLIDKLENKPFIIK | 0 |
14,878 | 49,508 | UN | 49,508 | Q9RWB2 | [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 | MSNIAKGLEGVLFTESKLTFINGSEGILTHLGIPIQEWAEKSTFEELSLALLDAKLPTAEELAKFDAELKANRAIPDQLVGIIRDMPKGVHPMQALRTAVSYLGLLDPQAEDITPEARRAISTRMIAQFSTIIAAINRAQEGQDIVAPRADLTHAGNFLYMLTGNEPTPEQARLFDIALVLHADHGMNASTFTAIATSSTLSDMYSCMVSAIGALKGPLHGGANEAVMTMLDEIGTVDKAEAYITGKLDNKEKIMGVGHRVYKYFDPRSRVLRDYAEHVANKEGKSNYYQILEAIEKIIVDRMGAKGIYPNVDFYSGTVY... | 0 |
14,879 | 66,920 | UN | 66,920 | A1KVT3 | 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 | MTILSDVKALGQQIWLDNLSRSLVQSGELAQMLKQGVCGVTSNPAIFQKAFAGDALYADEVAALKQQDLTPKQRYETMAVADVQAACDVCLAEHESTGGKTGFVSLEVSPELSKDAQGTVEEARRLYAAIGCKNAMIKVPATDAGIDALETLVSDGISVNLTLLFSRVQTLKAYAAYARGIAKRLAAGQSVAHIHVVASFFISRVDGALDTTLPDHLKGKIAIALAKAAYQDWAQYFGSPEFAALETQGANRVQLLWASTGVKNPAYPDTLYVDSLIGAHTVNTVPDATLKAFIDHGTAKATLTEGADEAQAQLAETAAL... | 0 |
14,881 | 59,232 | UN | 59,232 | A0A0B4IF96 | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-].[H]O[H]>>[H][C@]12CC[C@@H](C)[C@]3([H])CC[C@]4(C)CCC[C@](C)(C[C@]1(C)O)[C@@]4([H])[C@]23[H].O=P([O-])([O-])OP(=O)([O-])O | 4.2.3.202 | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O.O>>C[C@@H]1CC[C@@H]2[C@@H]3[C@H]1CC[C@]1(C)CCC[C@](C)(C[C@]2(C)O)[C@@H]31.O=P(O)(O)OP(=O)(O)O | MEKQRLKAQLSSLRVPLFSVPWPGQCSNKAEVIEARMMKWADEHNLLVTDEYRNRVIRTRYGLLAARCYPNAGEVLLQAIADYLVWFFLADDLFVDRVEVATDETIRNLTAMVDVLDLNVAGSPPVFGELAWLDVCQRLRRLLQAEAFERFAQGMRLWATTAALQILNHLRPTPVGIREYQTIRRHTSGLNPCTSLADAANKGSVQACEFYDADVQTLVRQTNNIVCWANDIQSLRIEIHQPGQFRNMVTIYAQQGQSLQDAVETTATRVNKEIAGFCELADAVTARPISDELHGLIDGLEYWIRGYLDWVVHDTMRYAD... | 0 |
14,882 | 69,468 | UN | 69,468 | B5R270 | 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 | MSDFLPFSRPAMGAEELAAVKTVLDSGWITTGPKNQELEAAFCRLTGNQYAVAVSSATAGMHIALMALGIGEGDEVITPSMTWVSTLNMIVLLGATPVMVDVDRDTLMVTPEHIEAAITPQTKAIIPVHYAGAPADLDAIYALGERYGIPVIEDAAHATGTSYKGRHIGARGTAIFSFHAIKNITCAEGGIVVTDNPQFADKLRSLKFHGLGVDAWDRQSGGRAPQAEVLAPGYKYNLPDLNAAIALAQLQKLDALNARRAAIAAQYHQAMADLPFQPLSLPSWEHIHAWHLFIIRVDEARCGITRDALMASLKTKGIGT... | 0 |
14,883 | 66,956 | UN | 66,956 | Q8P804 | 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]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H]1O.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)... | 2.4.1.378 | 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]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H]1O.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)[n... | MSASASLPVTRAAAAPRITVLFSTEKPNANTNPYLTQLYDALPDAVQPRFFSMREALLSRYDVLHLHWPEYLLRHPSKMGTLAKQACAALLLMKLQLTGTPVVRTLHNLAPHEDRGWRERALLRWIDQLTRRWIRINATTPVRPPFTDTILHGHYRDWFATMEQGTTVPGRLLHFGLIRPYKGVEVLLDVMRDVQDPRLSLRIVGNPATPQMRTLVETACAQDARISALLAYVEEPVLAREVSACELVVLPYKQMHNSGTLLLALSLARPVLAPWSESNAAIAEEVGPGWVFLYEGEFDAALLSGMLDQVRAAPRGPAPD... | 0 |
14,884 | 13,961 | UN | 13,961 | Q219R0 | 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)... | MQLTVWTYEGPPHVGAMRVATGMEGLHYVLHAPQGDTYADLLFTMIERRDRRPPVTYTTFAARDLGGDTAELFKTAVQNAYERFRPQAMIVGASCTGSLIQDDPGGLAKGMGLPVPVIAIDLPAYQRKENWGAAETFYQLVRALAGPSAPPPGSKRPERAPGVRPKCNILGPTALGFRHRDDVIEITALLGKLGIDVNVTAPMGATPADLTRLGEADFNVVLYPEIASQAASWLHRIFHQPFTKTIPIGVSATREFIEEVAALAGVDAAPVLKANSSRLTWFSHSVDSTYLTGKRVFIFGDATHVVAAARIASDEIGFKV... | 0 |
14,885 | 70,779 | UN | 70,779 | A8M8R2 | OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O.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[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O.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(... | 1.1.1.432 | 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.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O>>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[C@H]1OC(O)[C@H](O)[C@... | MKAVTVIPSVPESLRLRDVDKPKPNHGQVLLKPIRVGICGTDKEIIEGKYGKAPPGSQYLILGHEALAVVEELGDGVDNVAVGDVVVPTVRRPLDCNLPVDYCPMGHYVEHGIWGLHGHAAEYSVTDAKYLVKVPKELIDVAVLTEPLSVVEKGIDVALSVGGSRFEWRPRSALILGAGPIGLLSTMVLRLMGLLTTTVATRPPDSLKARLVRELGGVYVDSALSSIEGVFDLVVEATGSPQVMVDGLRHLAPNGVMVLLGVYPPGGVINDLGNVLTDSVLNNKVLVGSVNAGVKHFELGLRHMAEAKGRFGDWLSRLIT... | 0 |
14,886 | 78,815 | UN | 78,815 | O51940 | [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 | MQRETVFDLIGVGFGPSNLALAVRLAERSGAHTLAHCFVERQPAFGWHRGMLLDDCRMQISFLKDLVTMRDPKSRYTFINYLFERGRLNEFVNLKNFYPTRVEFHDYLSWVADAFDDRVHYSETVLGIEPVRGDGARIDALRVLSRDAAGHERQRVTRALSVGVGGTPAIPDAFAALGRDRVIHSSSYLTDIDRLVASPDGERRRVAVIGAGQSAAEVFIDLARRFPHVDANLVMRAGALKPADDSPFVNEIFSPEFTDVVYAQPQDARRALLERYRDTNYAVVDRPLIEQIYEMLYLQRIDGTPRHALLANSAIEAAVR... | 0 |
14,887 | 69,252 | UN | 69,252 | P32717 | 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 | MNNSRLFRLSRIVIALTAASGMMVNTANAKEEAKAATQYTQQVNQNYAKSLPFSDRQDFDDAQRGFIAPLLDEGILRDANGKVYYRADDYKFDINAAAPETVNPSLWRQSQINGISGLFKVTDKMYQVRGQDISNITFVEGEKGIIVIDPLVTPPAAKAALDLYFQHRPQKPIVAVIYTHSHTDHYGGVKGIISEADVKSGKVQVIAPAGFMDEAISENVLAGNIMSRRALYSYGLLLPHNAQGNVGNGLGVTLATGDPSIIAPTKTIVRTGEKMIIDGLEFDFLMTPGSEAPAEMHFYIPALKALCTAENATHTLHNFY... | 0 |
14,888 | 56,356 | UN | 56,356 | A0A172J1S0 | O=C([O-])C1=CC(Br)=C(O)C=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=C(Br)C=C(Br)C=C1.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@H](... | 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)c1ccc(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.Oc1ccc(Br)cc1Br | MTTATQTDIVIAGAGIGGLTTALALHAQGIERVVVLESANEIRPLGVGINVQPAAIAQLFALGLGEAIAATGIATRELRYLDHAGITLWTEPRGLAAGDPYPQYAIHRGELQMLLLAAVRERLGADTVRTGLRVQDFEHTRTGIRVHAQERGNGGSTVSFEATALVGADGLHSAVRARLHPDRCELLPARIQMWRGLTEVDEFLDGRSMIVANDDRSTRLIAYPCSARHAQHGRALINWVCMVPDVAQDLTREASWDCSGQLKDVLPYFADWKFGWLDVPDLLSRSTQILEYPMVDRDPLPRWGIGRATLLGDAAHLMYP... | 0 |
14,890 | 64,872 | UN | 64,872 | A7ZAH2 | O=C(COP(=O)([O-])[O-])[C@H](O)[C@H](O)CO>>[H]C(=O)CO.O=C(CO)COP(=O)([O-])[O-] | null | O=C(COP(=O)(O)O)[C@H](O)[C@H](O)CO>>O=C(CO)COP(=O)(O)O.O=CCO | MAFVTMKHLLAEAKREHYAVGQFNINGLQWTKAILQAAQKEQSPVIAAASDRLVDYLGGFKTISAMVGALMEEMAITVPVVLHLDHGSSAERCRQAIDAGFSSVMIDGSHHPIDENIAMTKEVADYAAKHGVSVEAEVGTVGGMEDGLVGGVRYADVAECERIVKETNIDALAAALGSVHGKYQGEPNLGFKEMEAISRMTDIPLVLHGASGIPQEQIKKAITLGHAKININTECMVAWTDETRRMFQKNGDLYEPRGYMTPGIEAVEETVRSKMREFGSAGKAVKQQVG | 0 |
14,891 | 78,091 | UN | 78,091 | P49852 | 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-] | MLDNKTIEIIKSTVPVLQQHGETITGRFYDRMFQDHPELLNIFNQTNQKKKTQRTALANAVIAAAANIDQLGNIIPVVKQIGHKHRSIGIKPEHYPIVGKYLLIAIKDVLGDAATPDIMQAWEKAYGVIADAFIGIEKDMYEQAEEQAGGWKEYKPFVIAKKERESKEITSFYLKPEDSKPLPEFQAGQYISIKVRIPDSEYTHIRQYSLSDMPGKDYYRISVKKDGVVSSYLHDGLQEGDSIEISAPAGDFVLDHASQKDLVLISAGVGITPMISMLKTSVSKQPERQILFIHAAKNSEYHALRHEVEEAAKHSAVKTA... | 0 |
14,892 | 75,779 | UN | 75,779 | Q02928 | 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 | MSVSVLSPSRLLGDVSGILQAASLLILLLLLIKAVQLYLHRQWLLKALQQFPCPPSHWLFGHIQELQQDQELQRIQKWVETFPSACPHWLWGGKVRVQLYDPDYMKVILGRSDPKSHGSYRFLAPWIGYGLLLLNGQTWFQHRRMLTPAFHYDILKPYVGLMADSVRVMLDKWEELLGQDSPLEVFQHVSLMTLDTIMKCAFSHQGSIQVDRNSQSYIQAISDLNNLVFSRVRNAFHQNDTIYSLTSAGRWTHRACQLAHQHTDQVIQLRKAQLQKEGELEKIKRKRHLDFLDILLLAKMENGSILSDKDLRAEVDTFMF... | 0 |
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