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 |
|---|---|---|---|---|---|---|---|---|---|
14,283 | 70,811 | UN | 70,811 | P57958 | 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 | MATRRELANAIRFLSMDAVQKAKSGHPGAPMGMADIAEVLWRDFLKHNPSNPHWADRDRFILSNGHGSMLIYSLLHLSGYDLSIEDLKQFRQLHSKTPGHPEYGYAPGVETTTGPLGQGITNAVGFAIAEKTLAHQFNRPGHEIVDHHTYVFLGDGCLMEGISHEACSLAGTLGLGKLIAFYDDNNISIDGHVDGWFTDDTQKRFEAYGWHVIPAVDGHNPEQILEAVKQAQAETTKPTLIICKTIIGYGSPNKANSHDCHGAPLGDDEIAAAREFLKWEHAPFEIPAEIYAQWDAKEKGQVAEKAWEEKLAAYAKAYPE... | 0 |
14,284 | 13,961 | UN | 13,961 | Q7VD37 | 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)... | MSGSTLLKETGPREVFCGLTSIVWLHRRMPDAFFLVVGSRTCAHLIQSAAGVMIFAEPRFGTAILEERDLAGLADAHEELDRVVKSLLKRRPEIRTLFLVGSCPSEVIKIDLSRAAERLSSQFNGQVRILNYSGSGIETTFTQGEDGALKALVPLMPSSQEEQLLLAGTLANPVEDRLKTIFNRLGIQKVESFPPRESTKLPAIGPGTKVLLAQPYLTDTARELKDRGAEILQAPFPLGVEGSQLWIEAAANAFKIKKTLVDATLEPLITRAHKALKPYVEQLSGKKLFLLPESQLEIPLARFLSNECGMKLIEVGVPYL... | 0 |
14,285 | 80,647 | UN | 80,647 | A6XIG7 | *CS(=O)(=O)[O-].[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[H]O[H]>>[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41.*C([H])=O.O=S([O-])[O-].[H+].[H+].[H+] | null | *CS(=O)(=O)O.O.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41>>*C=O.O=S(O)O.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41 | MLPADQAGIPPCQGPRARSAPISFAIPKGAWDTHLHVFGPTAVFPYAEKRPYTPPDSPLEDYLALMERLGIERGVCVHPNVHGIDNSVTIDAVERSDRRLLGIIKPHRVMTFTELRDLKTRGVRGVRFAFNPQHGSGALDTELFERMHGWCRELDWCINMHFAPDALEGLCDLIAGAETPIIIDHFGRVETAAGVNQLPFKILRDLATLDHVWIKLTGADRISHSGVPYDDVVPFAHALSEIAPDRLLWGSDWPHSGYFDPKRMPDDGDLLNLVARFAPDVALRHKILVDNPARLFGVI | 0 |
14,286 | 64,856 | UN | 64,856 | P53612 | 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 | MGSLLFSWKGTQQKDVTIKSDAPDTLLLEKHADYIASYGSKKDDYEYCMSEYLRMSGVYWGLTVMDLMGQLHRMNREEILVFIKSCQHECGGISASIGHDPHLLYTLSAVQILTLYDSVHVINVDKVVAYVQSLQKEDGSFAGDIWGEIDTRFSFCAVATLALLGKLDAINVEKAIEFVLSCMNFDGGFGCRPGSESHAGQIYCCTGFLAITSQLHQVNSDLLGWWLCERQLPSGGLNGRPEKLPDVCYSWWVLASLKIIGRLHWIDREKLRSFILACQDEETGGFADRPGDMVDPFHTLFGIAGLSLLGEEQIKPVSPV... | 0 |
14,287 | 78,495 | UN | 78,495 | C3N792 | 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... | MIPGSNPGGRIHNVVKMFQSYFMDAVNGYYRHLAIIESQDYLEKVNSLVEEYLEVNKKPRVIYGFHPWLDNSKDRMIEFRKKFENFLDIDYSNSEKYLGQSVDLVILDAIGDFRPNYIARFVDMTKGGGMAIIYSDDILRGKLYKESLTRDGVVKDLFERRFMELAKRYRGIIFLQGDRLTFTPYSSNETHKSHKKIPKSPKVPMQLHELCLSSDQNKVLEESLFITSPGKRVLVVTAARGRGKSASIGLFLSYLMTEEKFGNILVTSPTYYSSQEIFNFVIKGLDALNVKYKLTTSKDGKIMKITTGESRVKWVSPDLA... | 0 |
14,288 | 77,955 | UN | 77,955 | A0JPH3 | [H][C@@]12C/C=C3/C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CCCC(C)C.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>>[H][C@@]12CC=C3C[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H... | null | CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.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>>CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C.O=c1ccn([C@... | MSQAGVDRLLRGLQLLLLVLRLSAGYFPEERWNPESSLRNPTVLIALLARNSEGSLPEVLGALDTLHYPKERISLWVATDHNLDNTTEILREWLINVQNQYHHVEWRPQEHPRWFKDEEGPKHWSHSRYEYIMKLRQAALTSAREMWADYIFFLDADNLLTNPETLNLLIAENKTVVAPMLDSRAAYSNFWCGMTTQGYYRRTPAYMPIRRRERRGCFPVPMVHSTFLIDLRKEASQQLNFYPPHADYTWAFDDIIVFAFSCRQADVQMFLCNKEIYGHLPVPLRSHGTLLDEADNFVHTKLEVMVKGPPLNLSSFVTIP... | 0 |
14,289 | 81,079 | UN | 81,079 | Q94521 | [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... | MEVQKLPDQSLISSMMLDSRCGLNDLYPIARLTQKMEDALTVSGKPAACPVDQDCPYTIELIQPEDGEAVIAMLKTFFFKDEPLNTFLDLGECKELEKYSLKPLPDNCSYKAVNKKGEIIGVFLNGLMRRPSPDDVPEKAADSCEHPKFKKILSLMDHVEEQFNIFDVYPDEELILDGKILSVDTNYRGLGIAGRLTERAYEYMRENGINVYHVLCSSHYSARVMEKLGFHEVFRMQFADYKPQGEVVFKPAAPHVGIQVMAKEVGPAKAAQTKL | 0 |
14,290 | 17,809 | UN | 17,809 | A1WYD1 | 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/C1=[N+]25.C[S+](CC[C@H]([NH3+])C(=O)[O-])C[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1O>>C=CC1=C(C)/C2=C/C3=[N+]4C(=CC5=C(CCC(=O)OC)C(C)=C6/C=C7/C(C=C)=C(C)C8=[N+]7[Mg-2]4(N56)N2/C1=C\8)C(CCC(=O)[O-])=C3C.N... | 2.1.1.11 | 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.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=CC1=C(C)C2=[N+]3C1=Cc1c(C)c(CCC(=O)OC)c4n1[Mg-2]31n3c(c(C)c(C=C)c3=C2)=CC2=[N+]1C(=C4)C(CCC(=O)O)=C2C.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)... | MSEDTSQPTDQQAGTALRRGWTTGACAAAAARAAFTGLVSGSFPDPVTIRLPRDRSPAFALAVHACGDGWARAGVIKDAGDDPDVTHGALVSVTARPGAPGRGVQLRAGPGVGTVRRSGLPVAAGEPAINPGPRGYIEQGIAEAAAALSAPTDVTLELAIEDGERLAAQTLNPRLGIEGGLSVLGTTGLLVPFSCAAWIDAIQRGIDVARAAGIEHVAGSTGRTSEQAVQAYHQLPDEALIDMGDFVGGMLKYLRRYPVPRVTIAGGVAKITKLAQGFLDVHSRRGQADLAALAETAGRLGADATCREVMATANTVAEAF... | 0 |
14,291 | 80,771 | UN | 80,771 | Q4WZ60 | [NH3+][C@@H](CC1=CNC2=C1C=CC=C2)C(=O)[O-].C[S+](CC[C@H]([NH3+])C(=O)[O-])C[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1O>>C[NH2+][C@@H](CC1=CNC2=C1C=CC=C2)C(=O)[O-].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CSCC[C@H]([NH3+])C(=O)[O-])[C@@H](O)[C@H]1O.[H+] | null | C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O>>CN[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O | MTISAPPIIDIRQAGLESSIPDQVVEGLTKEVKTLPALLFYSTKGIQHWNRHSHAADFYPRHEELCILKAEASKMAASIAQDSLVIDMGSASMDKVILLLEALEEQKKSITYYALDLSYSELASNFQAIPVDRFHYVRFAALHGTFDDGLHWLQNAPDIRNRPRCILLFGLTIGNFSRDNAASFLRNIAQSALSTSPTQSSIIVSLDSCKLPTKILRAYTADGVVPFALASLSYANSLFHPKGDRKIFNEEDWYFHSEWNHALGRHEASLITQSKDIQLGAPLETVIVRRDEKIRFGCSYKYDKAERDQLFHSAGLEDAA... | 0 |
14,292 | 76,531 | UN | 76,531 | B7UNZ5 | CC(=O)N[C@@H](CSC(CC(=O)[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@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O.[H+]>>CC(=O)N[C@@H](CS)C(=O)[O-].O=C([O-])CC(=O)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=C4... | null | CC(=O)N[C@@H](CSC(CC(=O)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](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O>>CC(=O)N[C@@H](CS)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](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.O=C(O)CC(=O)... | MKIGVFVPIGNNGWLISTHAPQYMPTFELNKAIVQKAEHYHFDFALSMIKLRGFGGKTEFWDHNLESFTLMAGLAAVTSRIQIYATAATLTLPPAIVARMAATIDSISGGRFGVNLVTGWQKPEYEQMGIWPGDDYFSRRYDYLTEYVQVLRDLWGSGKSDFKGDFFTMDDCRVSPQPSVPMKVICAGQSDAGMAFSARYADFNFCFGKGVNTPTAFAPTAARMKQAAEQTGRDVGSYVLFMVIADETDDAARAKWEHYKAGADEEALSWLTEQSQKDTRSGTDTNVRQMADPTSAVNINMGTLVGSYASVARMLDEVAS... | 0 |
14,293 | 46,788 | UN | 46,788 | P32063 | *OC[C@@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)OC(*)=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.O=O.[H+].[H+]>>*OC[C@@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)OC(*)=O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H].[H]O[H] | 1.14.19.36 | *OC[C@@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)OC(*)=O.O=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1>>*OC[C@@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)OC(*)=O.O.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1 | MAMKLNALMTLQCPKRNMFTRIAPPQAGRVRSKVSMASTLHASPLVFDKLKAGRPEVDELFNSLEGWARDNILVHLKSVENSWQPQDYLPDPTSDAFEDQVKEMRERAKDIPDEYFVVLVGDMITEEALPTYMSMLNRCDGIKDDTGAQPTSWATWTRAWTAEENRHGDLLNKYLYLSGRVDMRMIEKTIQYLIGSGMDTKTENCPYMGFIYTSFQERATFISHANTAKLAQHYGDKNLAQVCGNIASDEKRHATAYTKIVEKLAEIDPDTTVIAFSDMMRKKIQMPAHAMYDGSDDMLFKHFTAVAQQIGVYSAWDYCD... | 0 |
14,294 | 80,947 | UN | 80,947 | Q92SJ1 | *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 | MTIELLDSMGVVDTSNAYIRKAVAAPASDVLGRIANLETRLARSAAEIDAAQAVRYRVFVEEMKAQVAPEAGRRKRDIDSWDAICDHLLVLDTSIEGDAEEQIVGTYRLLRQDVAERTGGFYSASEFAIGELLSRHPGKRFMELGRSCVLPEYRTKRTVELLWQGNWAYALKHGIDAMFGCGSFPGVVPEEHALALSFLHHNVRVRDEWAVSARPELYRTMDLMPPEAINPKKALAALPPLIKGYMRLGAMVGDGAVVDQAFRTTDVLIVLPIGKISGRYLNYYGADAGRFSSPVS | 0 |
14,295 | 77,231 | UN | 77,231 | Q5M886 | 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 | MADKPDPSSPADGPEPLFSFGVIADIQYADLEDGYNFQRSRRRYYRHSLVHLQGAIEDWNKESSMPCCVLQLGDIIDGYNAQYKVSEKSLELVMNTFQMLKVPVHHTWGNHEFYNFSRDYLANSKLNSKFLEDQIPQHPETTPSENYYAYHFVPFPKFRFILLDSYDLSVLGIDQFSPKYEQCMKILREHNPNVELNSPQGLSEPQYVQFNGGFSQEQLNWLNEVLTFSDANQEKVVIVSHLPIYPEASDSVCLAWNYVDALSIIWSHQCVVCFLAGHTHDGGYSEDPFGVHHVNLEGVIETAPDSQAFGTVHVYPDKML... | 0 |
14,296 | 80,959 | UN | 80,959 | Q8DNY1 | CCCCCCCCCCCCC[C@@H](O)CC(=O)NCC(=O)[O-].*N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCC)C(*)=O>>CCCCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCCCC)CC(=O)NCC(=O)[O-].*N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCS)C(*)=O | null | *N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCC)C(*)=O.CCCCCCCCCCCCC[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.CCCCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCCCC)CC(=O)NCC(=O)O | MIRYNNNKKTIEGDRMFYTYLRGLVVLLLWSINGNAHYHNTDKIPNQDENYILVAPHRTWWDPVYMAFATKPKQFIFMAKKELFTNRIFGWWIRMCGAFPIDRENPSASAIKYPINVLKKSDRSLIMFPSGSRHSNDVKGGAALIAKMAKVRIMPVTYTGPMTLKGLISRERVDMNFGNPIDISDIKKMNDEGIETVANRIQTEFQRLDEETKQWHNDKKPNPLWWFIRIPALILAIILAILTIIFSFIASFIWNPDKKREELA | 0 |
14,297 | 17,809 | UN | 17,809 | A4FWX4 | 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/C1=[N+]25.C[S+](CC[C@H]([NH3+])C(=O)[O-])C[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1O>>C=CC1=C(C)/C2=C/C3=[N+]4C(=CC5=C(CCC(=O)OC)C(C)=C6/C=C7/C(C=C)=C(C)C8=[N+]7[Mg-2]4(N56)N2/C1=C\8)C(CCC(=O)[O-])=C3C.N... | 2.1.1.11 | 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.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=CC1=C(C)C2=[N+]3C1=Cc1c(C)c(CCC(=O)OC)c4n1[Mg-2]31n3c(c(C)c(C=C)c3=C2)=CC2=[N+]1C(=C4)C(CCC(=O)O)=C2C.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)... | MNKIDFRLEKTFGYTTGACAAAGSYSALYFLKNNKKLDFVEILNLKGDSLIIPIKNIEKQGNTAISTVEKFSGEDIDITNGMDIKIKVTLENMDNNCSKSSNVKIIGGTGVGFITKSGLQVKPGKPAINPKPREMIETNLKSLLKDNECVTVKISVPNGDEIAKKTLNPKLGIIGGISILGTTGIVRPMSNDAYKESLAPQIDVALANNFKNLIFVPGNIGTKHAKILLNAEEDQIIEVSNFWDHMLDKAKEKGVKDITVFGHAGKIVKLAGGIFDTHSRVADARNEILCAYTSLATQDVKILQKILQSNTTEDIVEILI... | 0 |
14,298 | 74,167 | UN | 74,167 | Q52671 | [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[NH+](C)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.C[NH2+]CC(=O)[O-].[H]C([H])=O.[H+].[H+] | 1.5.7.3 | CN(C)CC(=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.CNCC(=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 | MRRYSIFAVAREALRYHSGWEKAWASPEPKKRYDVIVVGAGGHGLATAYYLGKVHGIKNVAIIEKGWLGGGNTGRNTTIIRSNYLQDPSAAIYEKARSLYEGLSQDLNYNVMFSPRGLLMLAQSEHEMRGYKRTVYANNLQNVETRWIEPKEVKKLVPILNIAGPRYPVLGALLQEKGGTARHDAVAWGYARACSDMGMDLLQNTEVTGVRTEGGRVVGVDTSRGSIDCGKLAIVVAGHSSVLAGMAGFRLPIESMALQAWVSEPIKPTIDVVVMANLVHGYMSQSDKGELVIGGGTDGFNNYSQRGSWHHVEETTRALI... | 0 |
14,299 | 80,295 | UN | 80,295 | A0A0A6ZFY4 | [H][C@]12CC[C@]3(C)[C@](C)(CC[C@@]3([H])[C@@H]3C[C@H]([C@@H]4OC4(C)C)OC3O)[C@]13O[C@@H]3C[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C>>[H][C@]12CC[C@]3(C)C(=CC[C@@]3([H])[C@@H]3C[C@H]([C@@H]4OC4(C)C)OC3O)[C@]1(C)[C@H](O)C[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C | null | CC1(C)O[C@H]1[C@H]1C[C@@H]([C@@H]2CC[C@]3(C)[C@@]45O[C@@H]4C[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]5CC[C@@]23C)C(O)O1>>CC1(C)O[C@H]1[C@H]1C[C@@H]([C@@H]2CC=C3[C@]4(C)[C@H](O)C[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]32C)C(O)O1 | MDNQNGRISIALLPFLAHGHISPFFELAKQLAKRNCNVFLCSTPINLSSIKDKDSSASIKLVELHLPSSPDLPPHYHTTNGLPSHLMLPLRNAFETAGPTFSEILKTLNPDLLIYDFNPSWAPEIASSHNIPAVYFLTTAAASSSIGLHAFKNPGEKYPFPDFYDNSNITPEPPSADNMKLLHDFIACFERSCDIILIKSFRELEGKYIDLLSTLSDKTLVPVGPLVQDPMGHNEDPKTEQIINWLDKRAESTVVFVCFGSEYFLSNEELEEVAIGLEISTVNFIWAVRLIEGEKKGILPEGFVQRVGDRGLVVEGWAPQ... | 0 |
14,300 | 79,535 | UN | 79,535 | A5F4K5 | 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... | MGQKNHFDVIVIGSGPGGEGAAMGLTKGGKNVAIIEKESSVGGGCTHWGTIPSKALRHAVSRIIEFNSNPLFCKNNSSIHATFSTILSHAKSVIDKQTRLRQGFYDRNQCTLIFGAAHFIDAHTVAVKKADGSIDTYSADKFVIATGSRPYHPKDVDFGHPRIYDSDSILNLEHDPRHIIIYGAGVIGCEYASIFRGLDVKTDLINTRDRLLSFLDNEVSDALSYHFWNSGVVIRNDETYDKVEGTSDGVIVHLKSGKKMRADCLLYANGRTGNTDKLNLESVGLQADSRGQLVVNANYQTQVEHIYAVGDVIGYPSLAS... | 0 |
14,301 | 49,504 | UN | 49,504 | Q9SIB9 | [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 | MYLTASSSASSSIIRAASSRSSSLFSFRSVLSPSVSSTSPSSLLARRSFGTISPAFRRWSHSFHSKPSPFRFTSQIRAVSPVLDRLQRTFSSMASEHPFKGIFTTLPKPGGGEFGKFYSLPALNDPRVDKLPYSIRILLESAIRNCDNFQVTKEDVEKIIDWEKTSPKQVEIPFKPARVLLQDFTGVPAVVDLACMRDAMNKLGSDSNKINPLVPVDLVIDHSVQVDVARSENAVQANMELEFQRNKERFAFLKWGSTAFQNMLVVPPGSGIVHQVNLEYLGRVVFNTKGLLYPDSVVGTDSHTTMIDGLGVAGWGVGGI... | 0 |
14,302 | 75,771 | UN | 75,771 | P05176 | 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 | MVSDFGLPTFISATELLLASAVFCLVFWVAGASKPRVPKGLKRLPGPWGWPLLGHVLTLGKNPHVALARLSRRYGDVFQIRLGSTPVVVLSGLDTIKQALVRQGDDFKGRPDLYSFSFVTKGQSMIFGSDSGPVWAARRRLAQNALNSFSVASDPASSSSCYLEEHVSQEAENLISKFQELMAAVGHFDPYRYVVMSVANVICAMCFGRRYDHDDQELLSLVNLNDEFGKVAASGSPADFFLILRYLPNPALDTFKDLNERFYSFTQERVKEHCRSFEKGHIRDITDSLIKHYRVDRLDENANVQVSDEKTVGIVLDLFG... | 0 |
14,303 | 81,163 | UN | 81,163 | P56592 | CCCCCCC/C=C/CCCC/C=C/[C@H](O)C[C@H](O)[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-].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>>CCCCCC[C@@H](O)CCCCCC/C=C/[C@H](O)C[C@H](O)[C@H]([NH3+])C(=O)[O-].CC1=C(C)C=C2C(=C1)/N=C1/C(... | null | CCCCCCC/C=C/CCCC/C=C/[C@H](O)C[C@H](O)[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.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>>CCCCCC[C@@H](O)CCCCCC/C=C/[C@H](O)C[C@H](O)[C@H](N)C(=O)O.Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H... | MALSQMATGLLLASTIFCLILWVVKAWQPRLPKGLKSPPGPWGWPLLGNVLTLGKSPHLALSRLSQRYGDVLQIRIGSTPVLVLSGLDTIRQALVRQGDDFKGRPDLYSLSLITDSQSMSFSPDSGPVWAAGRRLAQNALNTFSIASDPASSCSCYLEEHVSKEAEALLSRLQEQMAEVGRFDPYNQVLLSVANVIGAMCFGHHFSQRSEEMLPLLMSSSDFVETVSSGNPLDFFPILQYMPNSALQRFKNFNQTFVQSLQKIVQEHYQDFDERSVQDITGALLKHNEKSSRASDGHIPQEKIVNLINDIFGAGFDTVTT... | 0 |
14,304 | 33,087 | UN | 33,087 | Q9K864 | 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 | MSIDGILERAVNGERLSMEDAVKLYESDEVEKMGAAANQIMLKWHPEPITTFVIGRNVNYTNFCDTYCRFCAFYRAPGHKEGYVLDDEVILKKIQETIDVGGTEILMQGGTNPDLTIDYYTDLLRNIKERFPNIWMHSFSPAEVWKIAEVSSMSVEEVLRELHEAGLDSMPGGGAEILTEETRLRVSRLKITWEQWINAMKATKKVGMHGTATMVIGFGESFEERALHLQRVRDAQDETECFTAFISWLFQPENTGMYKTKKLTPRDYLKNVAISRLFLDNIPNFQSSWVTMGPEVGKLSLQYGCNDFGSTMIEENVVSA... | 0 |
14,305 | 62,564 | UN | 62,564 | A0A2H4DGV8 | [H][C@@]1(C(=C)C)CC=C(C)CC1.*.[H]O[H]>>C=C(C)[C@@H]1CC=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 | MEPFTTFSLVASSLILLICWALVKANKPAKNLPPGPPKLPIIGNMHQLESQSPHRVLRKLSRKYGPIMHLQLGQVPTVVISTPRLVEEVVKHHDINFADRPTNTTSQIFYYNNQNVAWSSYGNYWRQIKKIVTLELLSVKKVRSFSSIRAEELTRAVKSVEPSVGSTINFRDLTSQTVNNMVSRATLGDVCKERHILLDTMNDILKTFNSFNVVNFFPSLQFLNVITGKKAKWLKIHKQLDHILENILEEHKSKPKGNQDDEDLIDVLLRVKDAGGQELPITNDNVKAITLEMLTAGTSSSSMTIEWAFCELMRHPEVMK... | 0 |
14,306 | 76,579 | UN | 76,579 | P0DC93 | CC1(C)CC[C@@H](C(=O)[O-])N=C1C(=O)[O-].NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](OP(=O)([O-])[O-])[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+].[H+]>>CC1(C)CC[C@@H](C(=O)[O-])[NH2+]C1C(=O)[O-].NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=C... | null | CC1(C)CC[C@@H](C(=O)O)N=C1C(=O)O.NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>CC1(C)CC[C@@H](C(=O)O)NC1C(=O)O.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1 | MLVYIAGSGAMGCRFGYQISKTNNDVILLDNWEDHINAIKENGLVVTGDVEETVKLPIMKPTEATQEADLIILFTKAMQLPQMLQDIKGIIGKETKVLCLLNGLGHEDVIRQYIPEHNILMGVTVWTAGLEGPGRAHLQGVGALNLQSMDPSNQEAGHQVADLLNEANLNATYDENVVPNIWRKACVNGTMNSTCALLDCTIGELFASEDGLKMVKEIIHEFVIVGQAEGVELNEEEITQYVMDTSVKAAHHYPSMHQDLVQNHRLTEIDFINGAVNTKGEKLGINTPYCRMITELVHAKEAVLNIQ | 0 |
14,307 | 62,560 | UN | 62,560 | G3GBK0 | [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 | MEPLTIVSLVVASLFLFAFWALSPKTSKNLPPGPPKLPIIGNIHQLKSPTPHRVLRNLARKYGPIMHLQLGQVSTVVVSTPRLAREIMKTNDISFADRPTTTTSQIFFYKAQDIGWAPYGEYWRQMKKICTLELLSAKKVRSFSSIREEELSRISKVLESQAGTPINFTEMTVEMVNNVICKATLGDSCKDQATLIEVLYDVLKTLSAFNLASYYPGLQFLNVILGKKAKWLKMQKQLDDILEDVLKEHRSKGSNKSDQEDLVDVLLRVKDTGGLDFTVTDEHVKAVVLDMLTAGTDTSSATLEWAMTELMRNPHMMKRA... | 0 |
14,308 | 79,263 | UN | 79,263 | Q9WVM8 | 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 | MNYSRFLTATSLARKPSPIRTTADILSKAPKTLISLAPGSPNPSMFPFKSAAFTVENGSTIRFEDDLIKRALQYSPSYGIPELLSWLKQFQVKLHNPPTVNYPPNQGQMDLCITSGCQDGLCKAFEMLINPGDTILVNEPLFPGTLYAMKPLGCNIINVPSDEHGIIPEGLKKILSQWKPEDSKDPTKKTPKFLYTVPNGNNPTGNSLTGDRKKEIYELARKYDFLIIEDDPYYFLQFSKPWEPTFLSMDVDGRVIRADTFSKTVSSGLRVGFMTGPKTLIQNIVLHTQVSSVHACTLSQLMILQLLHQWGEEGFLAHID... | 0 |
14,309 | 56,372 | UN | 56,372 | A0A142C7A0 | O=C([O-])C1=CC(O)=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+]>>O=C([O-])C1=CC(Br)=C(O)C(O)=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... | 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(O)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)c1cc(O)c(O)c(Br)c1 | MTSPQTHVIVIGAGITGLLTCQGLKKAGISYSCFERDTSLNSRSNEWTMAIHWSLPLLAEILPTEVRAKLATIACNPVAGIHSGLYPIIHGETGDLITGVPYKDGLRVPRSKMRALCAEGIDVQYGKTLADVAFNESGNGVVATFTDGTLVAGTMIVGADGPRSRVRETAMGDAKLAATTSFPIFHTNMTVCYNDAEKAKFVREKYPTSYLALSERSFHAFQSISSMPDGPDHPETWVFHMAMAWMGQSDNAMCYAERLALVKSKAEGLGEPARSAFMWMPEETEVHKADISYWISQPWNNRDGRLTLVGDAAHPMPPYR... | 0 |
14,310 | 81,087 | UN | 81,087 | F1B282 | COC1=CC(C[C@H]2C[NH2+][C@@H](CC3=CC=CC=C3)CN2C(=O)/C=C/C2=CC=CC=C2)=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=C2\OCO\C2=C/C(C[C@H]2C[NH2+][C@@H](CC3=CC=CC=C3)CN2C(=O)/C=C/C2=CC=CC=C2)=C\1.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... | null | COc1cc(C[C@H]2CN[C@@H](Cc3ccccc3)CN2C(=O)/C=C/c2ccccc2)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)CN2C(=O)/C=C/c2ccccc2)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 | MDLLLLEKTLIGLFFAIIIAIVVSKLRSKKFKLPPGPIPVPVFGNWLQVGDDLNHRNLTEYAKKFGDLFLLRMGQRNLVVVSSPELAKEVLHTQGVEFGSRTRNVVFDIFTGKGQDMVFTVYGEHWRKMRRIMTVPFFTNKVVQQYRGGWEDEVAHVIDDVKKMPESATNGIVLRKRLQLMMYNNMYRIMFDRRFESEDDPLFNKLKALNGERSRLAQSFEYNYGDFIPILRPFLRGYLKICKEVKQRRLQLFKDYFVDERKKLSTTTKSMDNNALKCAIDHILEAEQKGEINEDNVLYIVENINVAAIETTLWSIEWGI... | 0 |
14,311 | 65,780 | UN | 65,780 | P9WPP7 | COC1=C(Cl)C=C(NC(=O)N(C)C)C=C1.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.O=O.[H+].[H+]>>CNC(=O)NC1=CC=C(OC)C(Cl)=C1.[H]C([H])=O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H] | null | COc1ccc(NC(=O)N(C)C)cc1Cl.O=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1>>C=O.CNC(=O)Nc1ccc(OC)c(Cl)c1.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1 | MTATVLLEVPFSARGDRIPDAVAELRTREPIRKVRTITGAEAWLVSSYALCTQVLEDRRFSMKETAAAGAPRLNALTVPPEVVNNMGNIADAGLRKAVMKAITPKAPGLEQFLRDTANSLLDNLITEGAPADLRNDFADPLATALHCKVLGIPQEDGPKLFRSLSIAFMSSADPIPAAKINWDRDIEYMAGILENPNITTGLMGELSRLRKDPAYSHVSDELFATIGVTFFGAGVISTGSFLTTALISLIQRPQLRNLLHEKPELIPAGVEELLRINLSFADGLPRLATADIQVGDVLVRKGELVLVLLEGANFDPEHFP... | 0 |
14,312 | 74,843 | UN | 74,843 | Q80WV3 | [1*][C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@]5(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@]([H])([C@H](O)[C@H](O)CO)O5)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC([2*])=O.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OS(=... | null | Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O)[C@@H](OP(=O)(O)O)[C@H]1O.[1*][C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@]5(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O... | MSRSSPRALPPGALPRPLPAAPAAVQRALLPPWPRRAGRRWPASPLGMKVFRRKALVLCAGYALLLVLTMLNLLDYKWHKEPLQQCNPDGPLGAAVGAAGAGWGRPGSPPAAPPRAHSRMDPRTPYRPPAAGVGAVPAAAAGSAGAAASLGNATRGTRGGGDKRQLVYVFTTWRSGSSFFGELFNQNPEVFFLYEPVWHVWQKLYPGDAVSLQGAARDMLSALYRCDLSVFQLYSPAGSGGRNLTTLGIFGAATNKVVCSSPLCPAYRKEVVGLVDDRVCKKCPPQRLARFEEECRKYRTLVIKGVRVFDVAVLAPLLKD... | 0 |
14,313 | 75,771 | UN | 75,771 | P34914 | 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 | MALRVAAFDLDGVLALPSIAGAFRRSEEALALPRDFLLGAYQTEFPEGPTEQLMKGKITFSQWVPLMDESYRKSSKACGANLPENFSISQIFSQAMAARSINRPMLQAAIALKKKGFTTCIVTNNWLDDGDKRDSLAQMMCELSQHFDFLIESCQVGMIKPEPQIYNFLLDTLKAKPNEVVFLDDFGSNLKPARDMGMVTILVHNTASALRELEKVTGTQFPEAPLPVPCNPNDVSHGYVTVKPGIRLHFVEMGSGPALCLCHGFPESWFSWRYQIPALAQAGFRVLAIDMKGYGDSSSPPEIEEYAMELLCKEMVTFLD... | 0 |
14,314 | 78,231 | UN | 78,231 | Q9N289 | *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... | FPNVQMLPLDLRELFRDTPLADWYTAVQGRWEPYLLPVLSDASRIALMWKFGGIYLDTDFIVLKNLRNLTNVLGTQSRYVLNGAFLAFQRRHEFMALCMRDFVDHYNGWIWGHQGPQLLTRVFKKWCSIRSLAESRACRGVTTLPPEAFYPIPWQDWKKYFEDISPEELPRLLNATYAVHVWNKKSQGTRFEATSRALLAQLHARYCPTTHEAMKMYL | 0 |
14,315 | 81,159 | UN | 81,159 | Q9GV41 | CCCCCCC/C=C/CCCC/C=C/[C@H](O)CC(=O)[C@H](N)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](OP(=O)([O-])[O-])[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+].[H+]>>CCCCCCC/C=C/CCCC/C=C/[C@H](O)C[C@H](O)[C@H]([NH3+])C(=O)[O-].NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O... | null | CCCCCCC/C=C/CCCC/C=C/[C@H](O)CC(=O)[C@H](N)C(=O)O.NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>CCCCCCC/C=C/CCCC/C=C/[C@H](O)C[C@H](O)[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](O... | MALTQSLKLSNGVMMPVLGFGMWKLQDGNEAETATMWAIKSGYRHIDTAAIYKNEESAGRAIASCGVPREELFVTTKLWNSDQGYESTLSAFEKSIKKLGLEYVDLYLIHWPGKDKFIDTWKAFEKLYADKKVRAIGVSNFHEHHIEELLKHCKVAPMVNQIELHPLLNQKALCEYCKSKNIAVTAWSPLGQGHLVEDARLKAIGGKYGKTAAQVMLRWEIQAGVITIPKSGNEARIKENGNIFDFELTAEDIQVIDGMNAGHRYGPDPEVFMNDF | 0 |
14,316 | 80,291 | UN | 80,291 | I1RBR4 | [H][C@]12CC[C@@]3(C)[C@]([H])([C@@H]4C[C@H]([C@@H]5OC5(C)C)OC4O)CC[C@]3(C)C1=CC[C@@]1([H])C(C)(C)[C@@H](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@](C)(CC[C@@]3([H])[C@@H]3C[C@H]([C@@H]4OC4(C)C)OC3O)[C@]13O[C@@H]3C[C@@]1([H])C(C)(C)[C@@H](O)CC... | null | CC1(C)O[C@H]1[C@H]1C[C@@H]([C@@H]2CC[C@]3(C)C4=CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]23C)C(O)O1.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)O[C@H]1[C@H]1C[C@@H]([C@@H]2CC[C@]3(C)[C@@]45O[C@@H]4C[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]5CC[C@@]23C)C(O)O1.Cc1cc2nc3c(=O)[nH... | MGLLQELAGHPLAQQFQELPLGQQVGIGFAVFLVLSVVLNVLNQLLFRNPNEPPMVFHWFPFVGSTITYGMDPPTFFRENRAKHGDVFTFILLGKKTTVAVGPAGNDFILNGKLKDVCAEEIYTVLTTPVFGKDVVYDCPNAKLMEQKKFMKIALTTEAFRSYVPIISSEVRDYFKRSPDFKGKSGIADIPKKMAEITIFTASHALQGSAIRSKFDESLAALYHDLDMGFTPINFMLHWAPLPWNRKRDHAQRTVAKIYMDTIKERRAKGNNESEHDMMKHLMNSTYKNGIRVPDHEVAHMMIALLMAGQHSSSSTSSWI... | 0 |
14,317 | 81,163 | UN | 81,163 | P04799 | CCCCCCC/C=C/CCCC/C=C/[C@H](O)C[C@H](O)[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-].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>>CCCCCC[C@@H](O)CCCCCC/C=C/[C@H](O)C[C@H](O)[C@H]([NH3+])C(=O)[O-].CC1=C(C)C=C2C(=C1)/N=C1/C(... | null | CCCCCCC/C=C/CCCC/C=C/[C@H](O)C[C@H](O)[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.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>>CCCCCC[C@@H](O)CCCCCC/C=C/[C@H](O)C[C@H](O)[C@H](N)C(=O)O.Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H... | MAFSQYISLAPELLLATAIFCLVFWVLRGTRTQVPKGLKSPPGPWGLPFIGHMLTLGKNPHLSLTKLSQQYGDVLQIRIGSTPVVVLSGLNTIKQALVKQGDDFKGRPDLYSFTLITNGKSMTFNPDSGPVWAARRRLAQDALKSFSIASDPTSVSSCYLEEHVSKEANHLISKFQKLMAEVGHFEPVNQVVESVANVIGAMCFGKNFPRKSEEMLNLVKSSKDFVENVTSGNAVDFFPVLRYLPNPALKRFKNFNDNFVLFLQKTVQEHYQDFNKNSIQDITGALFKHSENYKDNGGLIPQEKIVNIVNDIFGAGFETV... | 0 |
14,318 | 79,055 | UN | 79,055 | Q93TN0 | CCC1=C(C)C(CC2=C(C)C(CCC(=O)[O-])=C(CC3=C(CCC(=O)[O-])C(C)=C(CC4NC(=O)C(C)=C4CC)N3)N2)NC1=O.*.*.*.*>>C=CC1=C(C)/C(=C/C2=C(C)C(CCC(=O)[O-])=C(CC3=C(CCC(=O)[O-])C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)N3)N2)NC1=O.[H]*[H].[H]*[H].[H]*[H].[H]*[H] | null | CCC1=C(C)C(Cc2[nH]c(Cc3[nH]c(CC4NC(=O)C(C)=C4CC)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O>>C=CC1=C(C)/C(=C/c2[nH]c(Cc3[nH]c(/C=C4\NC(=O)C(C)=C4C=C)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O | MSLTSIPSLREQQHPLIRQLADCIEEVWHQHLDLSPYHLPAELGYVEGRLEGEKLTIENRCYQTPQFRKMHLELAKVGNMLDILHCVMFPRPEYDLPMFGCDLVGGRGQISAAIADLSPVHLDRTLPESYNSALTSLNTLNFSQPRELPEWGNIFSDFCIFVRPSSPEEEAMFLGRVREFLQVHCQGAIAASPVSAEQKQQILAGQHNYCSKQQQNDKTRRVLEKAFGVDWAENYMTTVLFDLPE | 0 |
14,319 | 78,979 | UN | 78,979 | M1VDX3 | 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 | MDLPPALLSFYCPIASEVSPEHEAVAQEMYAWIHAMSLTSDNRQAKMLAQAGAGFNSYFTPRARGELARALSKYNVCAWIANGMVQEIRDPGTFGAMAARWARIMEEPATCPADGIPMDFALADAFSHIRRTLSPVKWQHFSAAQSHWMHGLAWENCLHQVKGLTVHDYLSFRYVMSGCFAAAAFAYAVPERHPSAEEWAHPKVRAAADAAMMVDALDNDRYSYLKESLTEADKKTIFAALRHENPALGREEVIVRGVQLRDRILTLYLTLRGELLCDASEGLRSYLTGLDLIIAGNLVFCADMGLRYGLPEGSVRTDAE... | 0 |
14,320 | 78,987 | UN | 78,987 | O94412 | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]>>C[C@@H]1CCC2=C3C[C@@]4(C)CCC(C)(C)[C@H]4[C@@H]3CC[C@]21C.O=P([O-])([O-])OP(=O)([O-])O | 4.2.3.225 | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>C[C@@H]1CCC2=C3C[C@@]4(C)CCC(C)(C)[C@H]4[C@@H]3CC[C@]21C.O=P(O)(O)OP(=O)(O)O | MHGILRVKLSEEQRKLKAEKERAKIEEYRGLVSRFQEARKRKDYSEGNLKLTTELLDWNPETYSVWNYRREILLNDVFPKISLNEKQDLLDNELKYVLSKMKVFPKVYWIFNHRRWCLENAPYPNWNYEMMITEKLLSADARNFHGWHYRRYVVSQIERAGNCSLAKKEMEYTTSAIATNFSNFSALHNRTKLIETILNLEADPNSQKALAKQILEQELDMIHQAVFTDPDDSSVWIYHRWLMGHCNPNSMTPLISMITIEERIQYLQKEIELIQELHEMEPENRWCCESLVNYEALCKTLEKQKPTEADIKRWTLLVDK... | 0 |
14,321 | 78,975 | UN | 78,975 | Q4WP25 | 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 | MGNPRGRRTNGSIKTSKGTQRGTVSNLLSDQPLAARPKVSIVSNDDSQDSSDGGAFTTPSTTESTLKTTINGTDSTERNMSRKPSSPMAPAFMVSAPGKVIVYGEHAVVHGKAAMAAAISLRSYLLVTTLSKSQRTITMNFRDIGLDHTWNIDELPWDVFHHPSKKKFYYDLVTSLDPELVAAIQPHADAVSPDKPEDVRKIHRRSASAFLYLFLSLGSSQNPGAIYTLRSTIPIGAGLGSSASVCVCLSAALLLQIRTLAGPHPDQPPDEAEVQIERINRWAFVGEMCTHGNPSGVDNTVSAGGKAVVFRREDYSKPPT... | 0 |
14,322 | 80,235 | UN | 80,235 | Q8HYN0 | [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... | MWELVALLLLTLAYLFWPKRRCPGAKYPKSLLSLPLVGSLPFLPRHGHMHNNFFKLQKKYGPIYSVRMGTKTTVIVGHHQLAKEVLIKKGKDFSGRPQVTTLDILSNNRKGIAFADYGAHWQLHRRLAMATFALFKDGDQKLEKIICQEISTLCDMLATHNGQTIDISFPVFVAITNVISLICFNISYKNGDPELKIVHNYNEGIIDSLGKESLVDLFPWLKVFPNKTLEKLKRHVKTRNDLLTKIFENYKEKFRSDSITNMLDVLMQAKMNSDNGNAGPDQDSELLSDNHILTTIGDIFGAGVETTTSVVKWIVAFLLH... | 0 |
14,323 | 76,419 | UN | 76,419 | P11712 | CCCCCC1=C(CO)C(O)=CC=C1.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>>CCCC[C@H](O)C1=C(CO)C(O)=CC=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+] | null | CCCCCc1cccc(O)c1CO.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>>CCCC[C@H](O)c1cccc(O)c1CO.Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C.O | MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKVYGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFMKSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTETTSTTLRYALLLLLKHPEVT... | 0 |
14,324 | 47,044 | UN | 47,044 | D4A5C3 | C[N+](C)(C)CC(=O)CC(=O)[O-].CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]>>CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[N+](C)(C)C.CC(=O)CC(=O)[O-] | 2.3.1.317 | CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.C[N+](C)(C)CC(=O)CC(=O)O>>CC(=O)CC(=O)O.CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[N+](C)(C)C | MGNLPSAAKHCLNYQQLLREHLWSGESVAGALDPAQEASQLSGLPEYVKIVEVGPRDGLQNEKVIVPTDIKIEFINQLSQTGLSVIEVTSFVSSRWVPQMADHAEVMGGIHQYPGVRYPVLVPNLQGLQHAVAAGATEIAVFGAASESFSKKNINCSIEESMGRFEQVISSARHMNIPVRGYVSCALGCPYEGSIMPQKVTEVSKRLYSMGCYEISLGDTVGVGTPGSMKTMLESVMKEIPPGALAVHCHDTYGQALANILTALQMGINVVDSAVSGLGGCPYAKGASGNVATEDLIYMLNGMGLNTGVDLHKVMEAGDF... | 0 |
14,325 | 80,347 | UN | 80,347 | A0A067DE75 | [H][C@]12CC[C@]3(C)C(=CC[C@@]3([H])C(CO)C[C@@H](O)[C@@H]3OC3(C)C)[C@]1(C)[C@H](OC(C)=O)C[C@@]1([H])C(C)(C)OC(=O)C[C@H](OC(C)=O)[C@]21C.CC1=C(C)C=C2C(=C1)NC1=C(NC(=O)NC1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].O=O>>[H][C@]12CC[C@]3(C)C(=CC[C@@]3([H])C(CO)CC=O)[C@]1(C)[C@H](OC(C)=O)C[C@@]1([H])C(C)(C)OC(=O)C[C@H](... | null | CC(=O)O[C@H]1CC(=O)OC(C)(C)[C@@H]2C[C@@H](OC(C)=O)[C@@]3(C)C4=CC[C@@H](C(CO)C[C@@H](O)[C@@H]5OC5(C)C)[C@]4(C)CC[C@@H]3[C@@]12C.Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2.O=O>>CC(=O)O[C@H]1CC(=O)OC(C)(C)[C@@H]2C[C@@H](OC(C)=O)[C@@]3(C)C4=CC[C@@H](C(CO)CC=O)[C@]4(C)CC[C@@H]3[C@@]12C.CC(C... | MELLLLLLSTLLILTLCCHFFYLFIRTNKQNGSEKLPLPPGHVSWPFKYFETLDYLKKARTNTIHKFIAERVQKYKTKCFKTCHIGQNMVFLTSAEGNKFLFSNDYKLVRSWWPVTFLKVFENAGEEITVEEVIRARKQFLSFFNEPDALARHVAITDQVVQDHFKCYWDGSKQVGVYPLARKLTFDVSCRLLADIQDREILDESLPLMGNVVRAFFAFPINFPGTILNRAIKSSRRLRKIFVDIIKERRGDLLEKKNLDQRNDVLSRLLVENYKEGRDIDDVFLAKNLVSLLSAAYDNPSVTITSIVKNLAERPEIYEK... | 1 |
14,326 | 12,885 | UN | 12,885 | Q53E76 | *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... | MSILIIEAFYGGSHRQLVELLREEVDDCVLYTLPAKKWHWRARTAALYFSQSVPSSEHYSLVADVVVFNSNFNMESFLTSIGKFLKLIPDHRPKDLESIIRPKCQVIYFPIRFPDVSRFMPKHKIAHLRRMLSLIGNDAAALSVTLPPQPEQRLSKKSLENFESKSDEHPGLDTEQETLDTPTILKSVSLPVSEENPALGHSTFLCGAEDQQRPLHITWPHRWEHDKDPETFLKVLMHLKELRLNFYVSVLGETFTDVPDIFSEAKKALGSSVLHWGYLPSKEDYFRVLCTADVVISTAKHEFFGVAMLEAVYCGCYPLC... | 1 |
14,327 | 70,807 | UN | 70,807 | D5E1S7 | O=C[C@H](O)[C@H](O)CS(=O)(=O)[O-]>>O=C(CO)[C@H](O)CS(=O)(=O)[O-] | 5.3.1.37 | O=C[C@H](O)[C@H](O)CS(=O)(=O)O>>O=C(CO)[C@H](O)CS(=O)(=O)O | MTSLTQVKQYGLYVNGEWETTAEKMEVLNKYTQQPAAEISVATKDDVNKAVASAKDALKNTFSPYERYEVLMKAADLLLSRQEEFAEILATEVGKSIRESRGEVERAATTLQISAEEAKRIHGEGVPVESAPGSENRMAFTVKVPVGVVAAITPFNVPINLVCHKLGPALAAGNSVVLKPAEVTPICALKLAELMEEAGLPKGRLQVLTGDGAEIGEWLLENQDVNMFTFTGSPRVGELIRSKAGLRKVSLELGNNSATIVHKDADLEKAASLISQKSFNNAGQVCISVQRIYVHTNIYTAFVNKLKEKTEKLVVGNPMD... | 0 |
14,328 | 76,243 | UN | 76,243 | C7YS44 | *NCC(=O)NCC(*)=O.[H]O[H]>>*C(=O)C[NH3+].*NCC(=O)[O-] | null | *NCC(=O)NCC(*)=O.O>>*C(=O)CN.*NCC(=O)O | MHSLSLRRLLTSVLSLCSCSSALPNQRRSNVTSHVETYYSVDGATHAEKSKALKADGYRIVSLSSYGSPDSANYAAIWVQEEGPSFEIIHDADEATYNSWLQTWKSRGYVSTQVSATGPAENAVFAGVMENINVANWFQSCELENPWAFSNTTGNVDVVVKGFRMFGTPEERRYCILGHENVGNEQTTIQYSTPSFTVNFASTFEAETTKRFWRPSRLFLSEDHIITPSFADTSVGKWSHAVDLTKAELKEKIETERAKGLYPIDIQGGGSGSSERFTVVFAERTSPKPRQWNVRGEITGFEDNKAAEEEVDSIMRRFME... | 1 |
14,329 | 65,816 | UN | 65,816 | B9DMT8 | [Co+2].[Co+2].[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.[H]O[H]>>[Co+].[Co+].*.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+].[H+].[H+] | 1.16.99.1 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O.[Co+2].[Co+2]>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)O.[Co+].[Co+] | MSIRYESVEKLSEMIKNKEIKPSEVVKDIYDAIEETDPTIKSFLALDKENAMKKAEELDELQAKDQMEGKLFGIPMGIKDNIITEGLETTCASKMLEGFVPIYESTVMNKLHDENAVLIGKLNMDEFAMGGSTETSYYKKTVNPFDHTAVPGGSSGGSAAAVAAGLVPFSLGSDTGGSIRQPAAYCGIVGMKPTYGRVSRFGLVAFASSLDQIGPLTRNVKDNAIVLETIVGEDKHDSTSAPVADNDFTSDIGKDIRGMKIALPKEYLGEGVNDEVKEAVRNAVEILEGEGAIVEEVSLPNTGYGIPSYYVIASSEASSN... | 0 |
14,330 | 78,487 | UN | 78,487 | P96074 | 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 | MQRPIVYVGMSADLIHPGHINILSRAAELGDITIGLLTDAAIASYKRLPHMTYEQRKAVVENLKGVASVVPQRTLDYAENLRTVRPDFVVHGDDWQTGVQRHTRERVIEVLSEWGGKLVEIPYTPGISSTRLHSSVKEVGTTPNVRLSRLRRLLDSKDIVRILEVHNGLTGLIIENSKVTVDNQAREFDGMWSSSLTDSLARGKPDTEAVDVSSRLQMVNELFEVTTKPLVFDGDTGGKPEHFGFTVRSLERLGVSAVIVEDKEGLKRNSLFGTDVPQTQSSVEDFSERIRIGKRAQITDDFMVIARIESLILEKGMADA... | 0 |
14,331 | 76,095 | UN | 76,095 | Q64429 | 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)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)C(=O)[O-])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+].[H+] | null | CC1=C[C@H](O/C=C(C=O)\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)C(=O)O)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 | MATSLSADSPQQLSSLSTQQTTLLLLFSVLAAVHLGQWLLRQWQRKPWSSPPGPFPWPLIGNAAAVGQASHLYFARLARRYGDVFQIRLGSCPVVVLNGESAIHQALVQQGSIFADRPPFASFRVVSGGRSLAFGHYSEHWKTQRRSAYSTMRAFSTRHPRSRGLLEGHALAEARELVAVLVRRCAGGAFLDPTQPVIVAVANVMSAVCFGCRYNHDDAEFLELLSHNEEFGRTVGAGSLVDVLPWLQLFPNPVRTTFRKFEQLNRNFSNFVLDKFLRHRESLVPGAAPRDMTDAFILSAEKKASGAPGDDSSGLDLEDV... | 0 |
14,332 | 80,251 | UN | 80,251 | Q9ZMW6 | NC(=[NH2+])NCCC[C@@H]1NC(=O)/C(=C/C2=CC=C(O)C(O)=C2)NC1=O.CC(=O)OCC[C@H]([NH3+])C(=O)[O-]>>NC(=[NH2+])NCCC[C@@H]1NC(=O)/C(=C/C2=CC=C(O)C(OCC[C@H]([NH3+])C(=O)[O-])=C2)NC1=O.CC(=O)[O-].[H+] | null | CC(=O)OCC[C@H](N)C(=O)O.N=C(N)NCCC[C@@H]1NC(=O)/C(=C/c2ccc(O)c(O)c2)NC1=O>>CC(=O)O.N=C(N)NCCC[C@@H]1NC(=O)/C(=C/c2ccc(O)c(OCC[C@H](N)C(=O)O)c2)NC1=O | MILTAMQDAIGRTPIFKFTRKDYPIPLKSAIYAKLEHLNPGGSVKDRLGQYLIKEAFRTRKITSTTTIIEPTAGNTGIALALVAIKHHLKTIFVVPKKFSTEKQQIMRALGALVINTPTSEGISGAIKKSKELAESIPDSYLPLQFENPDNPAAYYHTLAPEIVQELGTNLTSFVAGIGSGGTFAGMAKYLKERIPNIRLIGVEPEGSILNGGEPGPHEIEGIGVEFIPPFFANLDIDRFETISDEEGFSYTRKLAKKNGLLVGSSSGAAFAAALKEVQRLPEGSQVLTIFPDMADRYLSKGIYS | 0 |
14,333 | 77,475 | UN | 77,475 | Q4Q9X8 | C1=NCCCC1C1CCCC[NH2+]1.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)N1C=C(C2CCCC[NH2+]2)CCC1.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 | null | C1=NCCCC1C1CCCCN1.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)N1C=C(C2CCCCN2)CCC1.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 | MRRRPPQLTKTKLADEEVPELTLVPDGVSRWTGSDLDALLNAARRGGAEAAQQDLERKLCRTIDILGARSQQAQEINAVLTSVARLRENSTFRLYLLTQNHRGVGILKVGVKKLFVTHPVTCGLVEVDPLCVLDFYVDESCQRQGYGKMLYSHMLKAEHVSRPEVLAIDRPSNKLLGFLRKHYGLAAYTPQVNNFVVFHSFFDHTTVSERGKLLRAPSPARASPFPSSANATVAIGGAKAKNWTPG | 0 |
14,334 | 24,060 | UN | 24,060 | P93149 | 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 | MEPQLVAVSVLVSALICYFFFRPYFHRYGKNLPPSPFFRLPIIGHMHMLGPLLHQSFHNLSHRYGPLFSLNFGSVLCVVASTPHFAKQLLQTNELAFNCRIESTAVKKLTYESSLAFAPYGDYWRFIKKLSMNELLGSRSINNFQHLRAQETHQLLRLLSNRARAFEAVNITEELLKLTNNVISIMMVGEAEEARDVVRDVTEIFGEFNVSDFIWLFKKMDLQGFGKRIEDLFQRFDTLVERIISKREQTRKDRRRNGKKGEQGSGDGIRDFLDILLDCTEDENSEIKIQRVHIKALIMDFFTAGTDTTAISTEWALVEL... | 0 |
14,335 | 82,335 | UN | 82,335 | Q8ZDK3 | *O[C@H]1C[C@H](*)O[C@@H]1COP(=O)([O-])[O-].[H]O[H]>>*O[C@H]1C[C@H](*)O[C@@H]1CO.O=P([O-])([O-])O | null | *O[C@H]1C[C@H](*)O[C@@H]1COP(=O)(O)O.O>>*O[C@H]1C[C@H](*)O[C@@H]1CO.O=P(O)(O)O | MSHFFAHLSRLKLINRWPLMRNVRTENVSEHSLQVAFVAHALAIIKNRKFNGNLNAERIALLAMYHDASEVITGDLPTPIKYHNPKIAHEYKKIEKVAQQKLIEMLPKELQHDFRCLLDEHYYSEEEKALVKQADALCAYLKCLEELSAGNNEFIQAKARLEKTLAIRQSPEMDYFMAVFVPSFSLSLDEISLDSLD | 0 |
14,336 | 79,263 | UN | 79,263 | P19730 | 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 | MSVEIKTNTVDPIRQTYGNLQRRFGDKPASRYQEASYDIEAVTNFHYRPLWDPQHELHDPTRTAIRMTDWHKVTDPRQFYYGAYVQTRARMQEATEHAYGFCEKRELLSRLPAELQAKLLRCLVPLRHAELGANMNNSSIAGDSIAATVTQMHIYQAMDRLGMGQYLSRIGLLLDGGTGEALDQAKAYWLDDPIWQGLRRYVEDSFVIRDWFELGLAQNLVLDGLLQPLMYQRFDQWLTENGGSDVAMLTEFMRDWYGESTRWVDAMFKTVLAENDANREQVQAWLEVWEPRAYEALLPLAEEATGIAALDEVRSAFATR... | 0 |
14,337 | 78,663 | UN | 78,663 | P54781 | [H][C@]12CC[C@H]3C(=O)OC4C(=O)C[C@@](C)(CC1(C)C)[C@@]432.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+]>>CC1(C)C[C@]2(C)CC(=O)O[C@H]3OC(=O)[C@@H]4CC[C@@H]1[C@]342.NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O... | null | CC1(C)C[C@]2(C)CC(=O)C3OC(=O)[C@@H]4CC[C@@H]1[C@]342.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>>CC1(C)C[C@]2(C)CC(=O)O[C@H]3OC(=O)[C@@H]4CC[C@@H]1[C@]342.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)nc... | MSSVAENIIQHATHNSTLHQLAKDQPSVGVTTAFSILDTLKSMSYLKIFATLICILLVWDQVAYQIKKGSIAGPKFKFWPIIGPFLESLDPKFEEYKAKWASGPLSCVSIFHKFVVIASTRDLARKILQSSKFVKPCVVDVAVKILRPCNWVFLDGKAHTDYRKSLNGLFTKQALAQYLPSLEQIMDKYMDKFVRLSKENNYEPQVFFHEMREILCALSLNSFCGNYITEDQVRKIADDYYLVTAALELVNFPIIIPYTKTWYGKKTADMAMKIFENCAQMAKDHIAAGGKPVCVMDAWCKLMHDAKNSNDDDSRIYHRE... | 0 |
14,338 | 80,203 | UN | 80,203 | P21369 | O=C([O-])C1=CC=C(NO)C=C1.[H]O[H].[H+]>>O=C([O-])C1=CC(O)=C(O)C=C1.[H][N+]([H])([H])[H] | null | O.O=C(O)c1ccc(NO)cc1>>N.O=C(O)c1ccc(O)c(O)c1 | MPPRALLLVDLQNDFCAGGALAVPEGDSTVDVANRLIDWCQSRGEAVIASQDWHPANHGSFASQHGVEPYTPGQLDGLPQTFWPDHCVQNSEGAQLHPLLHQKAIAAVFHKGENPLVDSYSAFFDNGRRQKTSLDDWLRDHEIDELIVMGLATDYCVKFTVLDALQLGYKVNVITDGCRGVNIQPQDSAHAFMEMSAAGATLYTLADWEETQG | 0 |
14,339 | 77,967 | UN | 77,967 | Q71YQ8 | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]>>[H][C@@]12/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC[C@@]1([H])C2(C)C.O=P([O-])([O-])OP(=O)([O-])O | 4.2.3.221 | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>C/C1=C\CC/C(C)=C/CC/C(C)=C/[C@@H]2[C@@H](CC/C(C)=C/CC/C(C)=C/CC1)C2(C)C.O=P(O)(O)OP(=O)(O)O | MKHLFKLDPAKNLPMNDLTKLVHSGTNGFIIGGTDNVQIEAVQKLYELLGETDLPIFLEISNESMILPEADHFLIPVVLNTENSKWTHGLHQELIKEMGAFIPWKRVTAEGYVILNKDAKVAHLTEAKTDLTDEDIVAYARLAENIFHLPIFYVEYSGMYGDPEVVRKASAALSNTKFWYGGGIRSKEQAAEMAKYADTIIVGNIIYEDLEKALETATIFRKKTV | 0 |
14,340 | 78,523 | UN | 78,523 | P13266 | [H][C@@]1([C@H](O)[C@H](O)CO)OC(C(=O)[O-])=C[C@H](O)[C@H]1NC(C)=O.[H]O[H]>>[H][C@@]1([C@H](O)[C@H](O)CO)O[C@@](O)(C(=O)[O-])C[C@H](O)[C@H]1NC(C)=O | null | CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(C(=O)O)=C[C@@H]1O.O>>CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](O)(C(=O)O)C[C@@H]1O | MRTKIIAIIPARSGSKGLRNKNALMLIDKPLLAYTIEAALQSEMFEKVIVTTDSEQYGAIAESYGADFLLRPEELATDKASSFEFIKHALSIYTDYESFALLQPTSPFRDSTHIIEAVKLYQTLEKYQCVVSVTRSNKPSQIIRPLDDYSTLSFFDLDYSKYNRNSIVEYHPNGAIFIANKQHYLHTKHFFGRYSLAYIMDKESSLDIDDRMDFELAITIQQKKNRQKIDLYQNIHNRINEKRNEFDSVSDITLIGHSLFDYWDVKKINDIEVNNLGIAGINSKEYYEYIIEKELIVNFGEFVFIFFGTNDIVVSDWKKE... | 0 |
14,341 | 56,480 | UN | 56,480 | Q54FI4 | *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... | MDTNIINHYDIIIIGGGIAGLSATRHLLLKMPELSGRIAVIEPRSERRDNLDEDYKVGESTVEVSAMFFAKELELQDYLIENHPPKFSLQFHWPRELSKTDTIEDYYSTWAVKNPDIQAFQLNRCKIERDLLKMVIAQGAVYYHGRVRNVDNLDNDDMKSIDVEILSEVESGADFKLQQSIERITLTTDYIVDASGRNFTVGSRTDNILKDPKHLFGLDNASTWVRVKNTERSLFDFKSQDVTCSWTYDTNHFFGPGYWIWMIPLERGSRDYSIGVSYHRDKIQPSQLNSLDKFMSFLEKNQKLLYNLIKSGEIVDFHRW... | 0 |
14,342 | 56,272 | UN | 56,272 | Q6H941 | [Fe+3].[Fe+3].[Fe+3].[Fe+3].CO.[H]O[H]>>[Fe+2].[Fe+2].[Fe+2].[Fe+2].[H]C(=O)[O-].[H+].[H+].[H+].[H+].[H+] | null | CO.O.[Fe+3].[Fe+3].[Fe+3].[Fe+3]>>O=CO.[Fe+2].[Fe+2].[Fe+2].[Fe+2] | MFASLSSAWMLRLKKYGYWIWLIAVLGIPLSYWWSLGSDYPNAWPWLVISVVFGLIPILDAIVGRDPANPEEASEVPEMEAQGYYRVLSLATVPLLLGMLVWSGWILAHETRWDWVGQLGWILSVGTVMGAIGITVSHELIHKDPQLEQNAGGLLLAAVCYAGFKVEHVRGHHVHVSTPEDASSSRYGQSLYSFLPHAYKHNFLNAWRLEAERLKRKGLPALHWRNELIWWYAISALFLLGFSLAFGWLGAIFFLGQSVMAFTLLEIVNYVEHYGLHRRRLDNGRYERTTPEHSWNSNFLLTNLFLFHLQRHSDHHAYAK... | 0 |
14,343 | 76,531 | UN | 76,531 | B7MIF9 | CC(=O)N[C@@H](CSC(CC(=O)[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@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O.[H+]>>CC(=O)N[C@@H](CS)C(=O)[O-].O=C([O-])CC(=O)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=C4... | null | CC(=O)N[C@@H](CSC(CC(=O)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](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O>>CC(=O)N[C@@H](CS)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](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.O=C(O)CC(=O)... | MQDAAPRLTFTLRDEERLMMKIGVFVPIGNNGWLISTHAPQYMPTFELNKAIVQKAEHYHFDFALSMIKLRGFGGKTEFWDHNLESFTLMAGLAAVTSRIQIYATAATLTLPPAIVARMAATIDSISGGRFGVNLVTGWQKPEYEQMGIWPGDDYFSRRYDYLTEYVQVLRDLWGSGKSDFKGDFFTMDDCRVSPQPSVPMKVICAGQSDAGMAFSARYADFNFCFGKGVNTPTAFAPTAARMKQAAEQTGRDVGSYVLFMVIADETDDAARAKWEHYKAGADEEALSWLTEQSQKDTRSGTDTNVRQMADPTSAVNINM... | 0 |
14,344 | 46,569 | LR | 46,568 | Q6E7K8 | *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 | MSMPMDVSKKSFKPAKTQKSKTISNDYIKGLQTKHFLLYNVIPTIGTITAIALLWWYPISSVEIGLLIGMWALSMIGMSVGLHRYFAHRAFKTSQTMSVILAILGCMGAQGPVVSWVAVHRRHHEYSDLPGDPHSPNPELLGEGIFGTLRGLWHAHVGWLTNHEYPNPMYYAPELMRDKTISKINRNYVVWIVLGLLIPTILGGIIHGSWIGAVEGLLWGGFVRMFVVDNSILSINSFSHAFGTHPFDSKDQSRNNIWVAIPTFGESWQNNHHTFENSAAIGLKWWQIDLGYCLIWGLEKLGLVWDVKLPTAKMIEAKKL... | 1 |
14,345 | 80,323 | UN | 80,323 | P25628 | [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]... | MTETKDLLQDEEFLKIRRLNSAEANKRHSVTYDNVILPQESMEVSPRSSTTSLVEPVESTEGVESTEAERVAGKQEQEEEYPVDAHMQKYLSHLKSKSRSRFHRKDASKYVSFFGDVSFDPRPTLLDSAINVPFQTTFKGPVLEKQLKNLQLTKTKTKATVKTTVKTTEKTDKADAPPGEKLESNFSGIYVFAWMFLGWIAIRCCTDYYASYGSAWNKLEIVQYMTTDLFTIAMLDLAMFLCTFFVVFVHWLVKKRIINWKWTGFVAVSIFELAFIPVTFPIYVYYFDFNWVTRIFLFLHSVVFVMKSHSFAFYNGYLWD... | 0 |
14,346 | 50,812 | UN | 50,812 | Q9DBG1 | [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C(=O)CC[C@@]21[H].S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.O=O.[H+].[H+]>>[H][C@@]12CCC3=CC(=O)C[C@H](O)[C@]3(C)[C@@]1([H])CC[C@]1(C)C(=O)CC[C@@]21[H].S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H] | 1.14.15.19 | C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12.O=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1>>C[C@@]12C(=CC(=O)C[C@@H]1O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1 | MAAWSRTRLRWTLLDPRVVGRGLCPQGARAKATIPAALQAQESTEGPGTGQDRPRLRSPAELPGTGTLQFLFQLFLQGYVLHLPDLQVLNKTKYGPMWTTSFGTYTNVNLASAPLLEQVMRQEGKYPIRDHMDQWKDHRDHKGLTYGIFIAQGEQWYHLRQALKQRLLKPDEAALYTDALNEVISDFITRLDQVRAESESGDQVPDMAHLLYHLALEAITYILFEKRIGCLKPSIPEDTAAFIRSVAIMFQNSVYITFLPKWTRPLLPFWKRYLNGWDNIFSFGKKLIDEKVQELKAQLQETGPDGVRVSGYLHFLLTNE... | 0 |
14,347 | 79,039 | UN | 79,039 | Q978N4 | CSC1=NC(/C=C/C(=O)[O-])=CN1.[H]O[H]>>CSC1=NC(CCC(=O)[O-])=C(O)N1 | null | CSc1nc(/C=C/C(=O)O)c[nH]1.O>>CSc1nc(CCC(=O)O)c(O)[nH]1 | MEEKAGEIHAPRGNKLNTKGWGQEAALRLLMNNLDPMVAKDPANLIVYGGKGKAARNWEAFDKIVEELKKLENDETLLIQSGKPVGVFKTTKDSPRVLIVNAQIVPHWATDDVFWDLEARGLTMFGQMTAGSWIYIGTQGVLQGTYETLSALARKEFKKDDLSGKWVLTSGLGEMGGAQPLAITMNNATGIIVEVDEEKIRRRLRDKYLDTWTDSLDEALRLKDEALKSGKPTSIGLLGNAATVYDELMKKNIVPDVVSDQTAAHDLNLGYIPEGYTVQSAAEFREKDKDGYVKKVYASIVKEAEAILWFMQHGSKAFDY... | 0 |
14,348 | 81,167 | UN | 81,167 | Q9ZT84 | 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 | MSSTLSDVFRSHPIHIPLSNPPDFKSLPDSYTWTPKDDLLFSASASDETLPLIDLSDIHVATLVGHACTTWGAFQITNHGVPSRLLDDIEFLTGSLFRLPVQRKLKAARSENGVSGYGVARIASFFNKKMWSEGFTVIGSPLHDFRKLWPSHHLKYCEIIEEYEEHMQKLAAKLMWFALGSLGVEEKDIQWAGPNSDFQGTQAVIQLNHYPKCPEPDRAMGLAAHTDSTLMTILYQNNTAGLQVFRDDVGWVTAPPVPGSLVVNVGDLLHILTNGIFPSVLHRARVNHVRSRFSMAYLWGPPSDIMISPLPKLVDPLQSP... | 0 |
14,349 | 75,759 | UN | 75,759 | Q3LFU0 | 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 | MFSVFGLSIPISATELLLASATFCLVFWVVRAWQPRVPKGLKSPPGPWSWPLIGHVLTLGKSPHLALSRLSQRYGDVLQIRIGCTPVLVLSGLDTIRQALVRQGDDFKGRPDLYSFTLVADGQSMTFNPDSGPVWAARRRLAQNALKSFSIASDPASSSSCYLEEHVSKESEYLIGKFQELMAGSGRFDPYRYVVVSVANVICAMCFGRRYDHESQVLLSVVGLSNEFGAVAASGNPADFIPILRYLPNTALDDFKDLNRRFYIFMQKMLKEHYKTFEKGRIRDITDSLIEHCQGKRLDENANIQLSDEKIVNVVMDLFG... | 0 |
14,350 | 29,775 | UN | 29,775 | Q8DQV8 | 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 | MDLGDNELTLTPIPGKSGKAYMGSYPDGKRIFVKMNTSPILPGLAREQIAPQLLWSRRLADGRDMCAQEWLTGKILTPYDMNRKQIVNILTRLHRSRPLMTQLSRLGYAMETPVDLLQSWQETAPDALRKNHFISEVMADLRQTIPGFREDHATIVHGDVRHSNWIETDSGLIYLVDWDSVRLTDRMFDVAHMLCHYISEHQWKEWLTYYGYKYNQTVLSKLYWYGQLSYLSQISKYYMNQDLENVNREIHGLRHFRDKYGKRR | 0 |
14,351 | 69,468 | UN | 69,468 | B7LM78 | 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 | MSNFLPFSRPAMGAEELAAVKEVLESGWITTGPKNLALEDAFIQLTGNQYAIAVSSATAGMHITLMALEIGPGDEVITPSMTWVSTLNMISLLGATPVMVDVDRDTLMVTPEIVEAAITPRTKAIIPVHYAGAPADTNALYAIAERHGIAVIEDAAHAVGTYYKGQHVGARGTAIFSFHAIKNITCAEGGLVVTDDESLARQLRTLKFHGLGVDAYDRQTWGRAPQAEVLTPGYKYNLTDINAAIALTQLHKLEQLNARRHDIATQYQHALVNLPFQPLALPAWPHIHSWHLFIIRVDEQRCGINRDTLMEALKEKGIGT... | 0 |
14,352 | 79,287 | UN | 79,287 | A0A0F7RJ52 | [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 | MKHAKQIAEHATIQSFLNCYLRETGSGEWITEDKRIEDIFYHLFQRDTCSTYLCCRLSAQNITLYGEVIYKSPTDRHLFGEQFYYQMGDSNSVMKADYVTVITFLIKEMSINYGEGTNPAELMLRVIRSCQNIEEFTKERKEDTSALYGFHTSFIEAEQSLLFGHLTHPTPKSRQGILEWKSAMYSPELKGECQLHYFRAHKSIVNEKSLLLDSTTVILKEELRNDEMVSKEFISKYCNEDEYSLLPIHPLQAEWLLHQPYVQDWIEQGVLEYIGPTGKCYMATSSLRTLYHPDAKYMLKFSFPVKVTNSMRINKLKELE... | 0 |
14,353 | 76,419 | UN | 76,419 | P05177 | CCCCCC1=C(CO)C(O)=CC=C1.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>>CCCC[C@H](O)C1=C(CO)C(O)=CC=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+] | null | CCCCCc1cccc(O)c1CO.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>>CCCC[C@H](O)c1cccc(O)c1CO.Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C.O | MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKNPHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDGQSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELMAGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFPILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGNLIPQEKIVNLVNDIFGAGFD... | 0 |
14,354 | 64,168 | UN | 64,168 | P0CB42 | CC[C@]([NH3+])(CO)C(=O)[O-]>>CC[C@H]([NH3+])C(=O)[O-].[H]C([H])=O | null | CC[C@](N)(CO)C(=O)O>>C=O.CC[C@H](N)C(=O)O | MGKMAAAVASLATLAAEPREDAFRKLFRFYRQSRPGTADLGAVIDFSEAHLARSPKPGVPQVVRFPLNVSSVTERDAERVGLEPVSKWRAYGLEGYPGFIFIPNPFLPGCQRHWVKQCLKLYSQKPNVCNLDKHMTKEETQGLWEQSKEVLRSKEVTKRRPRSLLERLRWVTLGYHYNWDSKKYSADHYTPFPSDLAFLSEQVATACGFQGFQAEAGILNYYRLDSTLGIHVDRSELDHSKPLLSFSFGQSAIFLLGGLKRDEAPTAMFMHSGDIMVMSGFSRLLNHAVPRVLPHPDGECLPHCLETPLPAVLPSNSLVE... | 0 |
14,355 | 66,952 | UN | 66,952 | B5BIU1 | 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... | MTVLIHVLGSDIPHHNHTVLRFFNDTLAATSEHAREFMVAGEDNGFTESCPALSLRFYGSKKALAQAVIAKAKANRRQRFFFHGQFNTSLWLALLSGGIKPAQFYWHIWGADLYEVSNGLKFRLFYPLRRIAQGRVGGVFATRGDLSYFARQHPGVRGELLYFPTRMDPSLNAMAKERQRAGKLTILVGNSGDRSNQHIAALRAVYQQFGDTVNVVVPMGYPANNQAYIDEVRQAGLALFSAENLQILSEKMEFDAYLALLRQCDLGYFIFARQQGIGTLCLLIQADIPCVLNRDNPFWQDMAEQHLPVLFTTDDLNEQV... | 0 |
14,356 | 15,681 | UN | 15,681 | B7GY04 | [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 | MKKLMMIGFGAMAAEVYAHLPQDLQLKWIVVPSRSIEKVQSQVSSDIQVISDIEQCDGTPDYVIEVAGQAAVKEHAQKVLAKGWTIGLISVGTLADSEFLVQLKQTAEKNDAHLHLLAGAIAGIDGISAAKEGGLQKVTYKGCKSPKSWKGSYAEQLVDLDHVSEPTVFFTGTAREAAMKFPANANVAATIALAGLGMDETMVELTVDPTINKNKHTIVAEGGFGQMTIELVGVPLPSNPKTSTLAALSVIRACRNSVEAIQI | 0 |
14,358 | 78,411 | UN | 78,411 | O23171 | 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 | MKHYVLVHGGCHGAWCWYKVKPMLEHSGHRVTVFDLTAHGVNMSRVEDIQTLEDFAKPLLEVLESFGSDDKVVLVAHSLGGIPAALAADMFPSKISVAVFVTSFMPDTTNPPSYVFEKFLGSITEEERMDFELGSYGTDDHPLKTAFLGPNYLKNMYLLSPIEDYELAKMLMRVTPAITSNLTGTKSLTAQGYGSISRVYIVCGEDKGIRVDFQRWMIENSPVKEVMEIKDADHMPMFSKPHELCDRLLKIADKYP | 0 |
14,359 | 76,543 | UN | 76,543 | P35505 | 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 | MSFIPVAEDSDFPIQNLPYGVFSTQSNPKPRIGVAIGDQILDLSVIKHLFTGPALSKHQHVFDETTLNNFMGLGQAAWKEARASLQNLLSASQARLRDDKELRQRAFTSQASATMHLPATIGDYTDFYSSRQHATNVGIMFRGKENALLPNWLHLPVGYHGRASSIVVSGTPIRRPMGQMRPDNSKPPVYGACRLLDMELEMAFFVGPGNRFGEPIPISKAHEHIFGMVLMNDWSARDIQQWEYVPLGPFLGKSFGTTISPWVVPMDALMPFVVPNPKQDPKPLPYLCHSQPYTFDINLSVSLKGEGMSQAATICRSNFK... | 0 |
14,360 | 78,983 | UN | 78,983 | Q5EAD5 | 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 | MAATEDERPTGSGEGERLDFLRDRHVRFFQRCLQVLPERYSSLETSRLTIAFFALSGLDMLDSLDVVNKDDIIEWIYSLQVLPTEDRSNLNRCGFRGSSYLGIPFNPSKNPGTAHPYDSGHIAMTYTGLSCLVILGDDLSRVNKEACLAGLRALQLEDGSFCAVPEGSENDMRFVYCASCICYMLNNWSGMDMKKAINYIRRSMSYDNGLAQGAGLESHGGSTFCGIASLCLMGKLEEVFSEKELNRIKRWCIMRQQNGYHGRPNKPVDTCYSFWVGATLKLLKIFQYTNFEKNRNYILSTQDRLVGGFAKWPDSHPDAL... | 0 |
14,361 | 75,727 | UN | 75,727 | P11712 | 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 | MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKVYGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFMKSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTETTSTTLRYALLLLLKHPEVT... | 0 |
14,362 | 80,643 | UN | 80,643 | Q0BUL9 | *CS(=O)(=O)[O-].[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[H]O[H].[H]O[H]>>[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe... | 1.97.1.13 | *CS(=O)(=O)O.O.O.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41>>O=S(O)O.[1*]C(=O)O.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]... | MSAKHVLISGVVQGVGYRAWLRSRAEALGLSGWVRNRLDGRVEALIAGDIAAVEELIRACRTGPSAARVDRIEEHLDTDPITPGFEQYPTV | 0 |
14,363 | 81,375 | UN | 81,375 | Q02933 | *O[C@H]1[C@@H](O)[C@H](*)O[C@@H]1COP(=O)([O-])O[C@H]1[C@@H](O)[C@H](*)O[C@@H]1CO.[H]O[H]>>[1*][C@@H]1O[C@H](CO)[C@@H](OP(=O)([O-])[O-])[C@H]1O.*O[C@H]1[C@@H](O)[C@H](*)O[C@@H]1CO.[H+] | null | *O[C@H]1[C@@H](O)[C@H](*)O[C@@H]1COP(=O)(O)O[C@H]1[C@@H](O)[C@H](*)O[C@@H]1CO.O>>*O[C@H]1[C@@H](O)[C@H](*)O[C@@H]1CO.[1*][C@@H]1O[C@H](CO)[C@@H](OP(=O)(O)O)[C@H]1O | MLLKNLHSLLQLPIFSNGADKGIEPNCPINIPLSCSNKTDIDNSCCFEYPGGIFLQTQFWNYFPSKNDLNETELVKELGPLDSFTIHGLWPDNCHGGYQQFCNRSLQIDDVYYLLHDKKFNNNDTSLQISGEKLLEYLDLYWKSNNGNHESLWIHEFNKHGTCISTIRPECYTEWGANSVDRKRAVYDYFRITYNLFKKLDTFSTLEKNNIVPSVDNSYSLEQIEAALSKEFEGKKVFIGCDRHNSLNEVWYYNHLKGSLLSEMFVPMDSLAIRTNCKKDGIKFFPKGYVPTFRRRPNKGARYRGVVRLSNINNGDQMQG... | 0 |
14,364 | 80,635 | UN | 80,635 | P77444 | [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 | MIFSVDKVRADFPVLSREVNGLPLAYLDSAASAQKPSQVIDAEAEFYRHGYAAVHRGIHTLSAQATEKMENVRKRASLFINARSAEELVFVRGTTEGINLVANSWGNSNVRAGDNIIISQMEHHANIVPWQMLCARVGAELRVIPLNPDGTLQLETLPTLFDEKTRLLAITHVSNVLGTENPLAEMITLAHQHGAKVLVDGAQAVMHHPVDVQALDCDFYVFSGHKLYGPTGIGILYVKEALLQEMPPWEGGGSMIATVSLSEGTTWTKAPWRFEAGTPNTGGIIGLGAALEYVSALGLNNIAEYEQNLMHYALSQLESV... | 0 |
14,365 | 80,303 | UN | 80,303 | Q8FMN5 | [H][C@]12CC[C@]3(C)C(=CC[C@@]3([H])[C@@H]3C[C@H]([C@@H]4OC4(C)C)OC3O)[C@]1(C)[C@H](O)C[C@@]1([H])C(C)(C)[C@@H](O)CC[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@@H]4OC4(C)C)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.CC1(C)O[C@H]1[C@H]1C[C@@H]([C@@H]2CC=C3[C@]4(C)[C@H](O)C[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]32C)C(O)O1>>CC(=O)O[C@@H]1O[C@@H]([C@@H]2OC2(C)C)C[C@H]1[C@@H]1CC=C2[C@]3(C)[C@H](O)C[C@H]4C(C)(C)[C@@H]... | MATLGPMNTKVTTTHLYNHRDLREQAMIMLKEVRAIDGVEALSEQFVRGLAEPGLGHTHYTVSVDGRIIGLGATDGETSELAVHPAHRRQGIGRELIDALPTDGVWAHGDLPPAQALASSLGLNKTRELLVMAVEGDALREAAVYDNPAGITNSSLKTAPGTRDEVEGKWLKANNEAFHWHPEQGGWDRNRLTRAQSATWFRETDVLFLWDGDELVGFHWVKKHSDELQEIYVVGLAEAYRGKGLGDPLVRLGLRHMVNGGARRVILYVEADNDSAVAAYEKLGFTVAERHVVYEK | 0 |
14,366 | 76,679 | UN | 76,679 | Q6HIK3 | [H]C(=O)CS(=O)(=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.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[... | 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.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=CCS(=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]1O... | MTVQTAQIVKNYIGGEWVESISTKMEAVYNPATGEVIAQVPLSTKVDVEQAVLAANEAFKSWSKTAVPKRARILFKYQQLLVDNWEELAKLITIENGKSYNEAYGEVLRGIECVEFAAGAPTLMMGKQLPDIATGIESGMYRYPIGVIGGITPFNFPMMVPCWMFPLAIACGNTFVLKPSERTPLLAARLAELAEEAGLPKGVLNIVNGAHDVVNGLLEHKLVKAISFVGSQPVAEYVYKKGTENLKRVQALAGAKNHSIVLNDANLELATKQIISAAFGSAGERCMAASVVTVEEEIADQLVERLVAEANKIVIGNGLD... | 0 |
14,367 | 76,143 | UN | 76,143 | A4ZDG8 | [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 | MEVVEVLHMNGGNGDSSYANNSLVQQKVILMTKPITEQAMIDLYSSLFPETLCIADLGCSLGANTFLVVSQIVKIVEKERKKHGFKSPEFYFHFNDLPGNDFNTLFQSLGAFQEDLRKHIGESFGPCFFSGVPGSFYTRLFPSKSLHFVYSSYSLMWLSQVPNGIENNKGNIYMARTSPLSVIKAYYKQYEIDFSNFLKYRSEELMKGGKMVLTLLGRESEDPTSKECCYIWELLAMALNELVKEGLIKEEKVDAFNIPQYTPSPAEVKYLVEKEGSFTINRLETSRVHWNASNNVKNGGYNVSRCMRAVAEPLLVSHFD... | 0 |
14,368 | 78,975 | UN | 78,975 | A1AW20 | 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 | MNIKQIKAREVLDSRGNPTVEVDVILDDDTIGSAMVPSGASTGQREALELRDGGTRYLGKGVLKAVEFVNTEICNTLINFGIEDLGKIDQAMIDLDGTETKSRLGANAILAVSLAVAHANANRQHKPLYMSLNQGENYKLPVPMMNIINGGEHANNNVDIQEFMIIPAGAPSFKEALRYGAEVFHHLKAVLEAKNMNTTVGDEGGFAPDLSSNEDAIKVILEAIDNAGYKAGKDIFIGIDAASSEFYENGTYNLVSENKSLNSEEFVDYLANWVENYPIISIEDGMDENDWNGWNLLTKKIGDKVQLVGDDLYVTNSKFL... | 0 |
14,369 | 65,816 | UN | 65,816 | Q7W3H7 | [Co+2].[Co+2].[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.[H]O[H]>>[Co+].[Co+].*.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+].[H+].[H+] | 1.16.99.1 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O.[Co+2].[Co+2]>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)O.[Co+].[Co+] | MTQSALHTEFGGIAALRDALARRQVSAVELAQSGLDAAQAASGLNAFLHIDPDLTLAQARAADAALAAGTAGPLAGIPIAHKDAFVTRGWRTTAGSKMLAGYASPFDATVVERLAEAGAVSLGKLNCDEFAMGSGNENSAYGPVRNPWDTRAVPGGSSGGSAAAVAARLVAAATGTDTGGSVRQPAALCGVSGIKPTYGTVSRYGMIAFGSSLDQAGPLAPSSRDLLELLDVMTGFDPRDATSLQACDGQANESGRVRRGHDAAQAGYDAAGSQPLKGLRIGVPQEYFGAGLAPDVAAAVDAALAQFEQLGAVRVPVSLP... | 0 |
14,370 | 80,851 | UN | 80,851 | A0A0D4BSP3 | C[NH+](C)[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)[O-].C[S+](CC[C@H]([NH3+])C(=O)[O-])C[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1O>>C[N+](C)(C)[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)[O-].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CSCC[C@H]([NH3+])C(=O)[O-])[C@@H](O)[C@H]1O.[H+] | null | CN(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>C[N+](C)(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O | MHTDWETSESAEDYSRNTAAAQWEPMGYPAVFRSLALATTDSDNAPPILDYGCGPGFVDRHVAEKYGRRVIAVDISSSMIDLARSQHSHPLVTYRHVPDSQLDFLGDKEIGGCMSCFVLMQMADSDTQVEICRRIRRTLAPGAMLAVLNTHPDSVGIQFATLRNGEPDRVYQPGDPMTTVLTTDKGVLRLQDYYWRVTDYVHALEAAGFHEVTVEHLPPPPADPTPHPQFLLVRGTA | 0 |
14,372 | 78,783 | UN | 78,783 | A7MAS5 | O=C1C=C(C2=CC=C(O)C(O)=C2)OC2=CC([O-])=CC(O)=C12.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=C1C=C(C2=CC(O)=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=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[... | null | O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12.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=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1 | MVQHRFLLVTFPAQGHINPSLQFAKRLINTTGAHVTYVTSLSAHRRIGNGSIPDGLTYAPFSDGYDDGFKPGDNVDDYMSELRRRGVQAITDLVVASANEGHPYTCLVYSLLLPWSAGMAHELHLPSVLLWIQPATVFDIYYYYFNGYKDLIRDNTSSGTNNVLPCSIELPGLPLSFTSRDLPSFMVDTNPYNFALPLFQEQMELLERETNPTILVNTFDALEPEALKAIDKYNLIGVGPLIPSAFLDGKDPSDKSFGGDLFQKSKDSSYLEWLNSKPEGSVIYVSFGSISVLGKAQMEEIAKGLLDCGLPFLWVIRDKV... | 0 |
14,373 | 82,563 | UN | 82,563 | F1QCP6 | *C(=O)OC[C@H](O)COP(=O)([O-])OC[C@H](O)CO.*C(=O)OC[C@@H](O)CO>>[1*]C(=O)OC[C@H](O)COP(=O)([O-])OC[C@@H](O)COC([2*])=O.OCC(O)CO | null | *C(=O)OC[C@@H](O)CO.*C(=O)OC[C@H](O)COP(=O)(O)OC[C@H](O)CO>>OCC(O)CO.[1*]C(=O)OC[C@H](O)COP(=O)(O)OC[C@@H](O)COC([2*])=O | MPLEVTWPFPQCPRLGWRISSRVVMGMVGSYSYLWTKYFNSLMVHNQDVLLNLVDERPQDTPLITVCNHQSCMDDPHIWGVLKFRQLWNLNKMRWTPTASDICFTREFHSSFFSRGKCVPVVRGDGVYQKGMDFLLERLNQGEWIHIFPEGRVNMSGEFMRIKWGIGRLIAECSLHPIILPMWHIGMNDVLPNETPYIPRVGQRITVLVGKPFTVRHLVNALRAENTNPTEMRKTVTDYIQDEFRSLKAQAEALHHRLQNHT | 0 |
14,374 | 27,706 | UN | 27,706 | A4TQ81 | [NH3+][C@H](CO)C(=O)[O-].C[C@@H]([NH3+])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>>C[C@@H]([NH3+])C(=O)N[C@H](CO)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+] | 6.3.2.35 | C[C@@H](N)C(=O)O.N[C@H](CO)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>>C[C@@H](N)C(=O)N[C@H](CO)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 | MAEKVAVLLGGTSAEREVSLLSGQAVLAGLKEAGIDAYGVDTKDFPVTQLKEQGFDKVFIALHGRGGEDGTLQGVLEFLQLPYTGSGVMASALTMDKLRTKLVWQALGLPISPYVALNRQQFETLSPEELVACVAKLGLPLIVKPSHEGSSVGMSKVDHASELQKALVEAFQHDSDVLIEKWLSGPEFTVAILGDEVLPSIRIQPPGVFYDYDAKYLSDKTQYFCPSGLSDESEQQLAALALQAYHALDCSGWGRVDVMQDRDGHFYLLEVNTSPGMTSHSLVPMAARQYGLSFSQLVARILMLAD | 0 |
14,375 | 78,419 | UN | 78,419 | Q9SVU0 | 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 | MENMFRLMDQDQDLTNNRCIWVNGPVIVGAGPSGLATAACLHEQNVPFVVLERADCIASLWQKRTYDRLKLHLPKQFCQLPKMPFPEDFPEYPTKRQFIDYLESYATRFEINPKFNECVQTARFDETSGLWRVKTVSKSESTQTEVEYICRWLVVATGENAERVMPEIDGLSEFSGEVIHACDYKSGEKFAGKKVLVVGCGNSGMEVSLDLANHFAKPSMVVRSSLHVMPREVMGKSTFELAMKMLRWFPLWLVDKILLVLSWMVLGNIEKYGLKRPEMGPMELKSVKGKTPVLDIGAIEKIRLGKINVVPGIKRFNGNK... | 0 |
14,376 | 64,164 | UN | 64,164 | Q52671 | C[C@]([NH3+])(CO)C(=O)[O-]>>C[C@H]([NH3+])C(=O)[O-].[H]C([H])=O | null | C[C@](N)(CO)C(=O)O>>C=O.C[C@H](N)C(=O)O | MRRYSIFAVAREALRYHSGWEKAWASPEPKKRYDVIVVGAGGHGLATAYYLGKVHGIKNVAIIEKGWLGGGNTGRNTTIIRSNYLQDPSAAIYEKARSLYEGLSQDLNYNVMFSPRGLLMLAQSEHEMRGYKRTVYANNLQNVETRWIEPKEVKKLVPILNIAGPRYPVLGALLQEKGGTARHDAVAWGYARACSDMGMDLLQNTEVTGVRTEGGRVVGVDTSRGSIDCGKLAIVVAGHSSVLAGMAGFRLPIESMALQAWVSEPIKPTIDVVVMANLVHGYMSQSDKGELVIGGGTDGFNNYSQRGSWHHVEETTRALI... | 0 |
14,377 | 55,904 | UN | 55,904 | Q48440 | [NH3+][C@@H](CC1=CNC2=C1C=CC=C2Cl)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=C(N2)C(=O)NC(=O)N1.[Cl-].O=O>>[NH3+][C@@H](CC1=CNC2=C1C=CC(Cl)=C2Cl)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]... | 1.14.19.60 | 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.Cl.N[C@@H](Cc1c[nH]c2c(Cl)cccc12)C(=O)O.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.N[C@@H](Cc1... | MKPENFRADTKRPLTGEEYLKSLQDGREIYIYGERVKDVTTHPAFRNAAASVAQLYDALHNPELQNTLCWGTDTGSGGYTHKFFRVAKSADDLRQQRDAIAEWSRLSYGWMGRTPDYKAAFGGGLGANPGFYGQFEQNARDWYTRIQETGLYFNHAIVNPPIDRHKPADEVKDVYIKLEKETDAGIIVSGAKVVATNSALTHYNMIGFGSAQVMGENPDFALMFVAPMDAEGDKLISRASYELVAGATGSPYDYPLSSRFDENDAILVMDNVLIPWENVLIYRDFDRCRRWTMEGGFARMYPLQACVRLAVKLDFITALL... | 0 |
14,378 | 70,775 | UN | 70,775 | Q8HYN0 | O=S(=O)([O-])C[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O.CC1=C(C)C=C2C(=C1)NC1=C(NC(=O)NC1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].O=O>>O=C[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O.CC1=C(C)C=C2C(=C1)/N=C1/C(=O)[N-]C(=O)N=C1N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].O=S([O-])[O-].[H]O[H].[H+].[H+] | 1.14.14.181 | Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2.O=O.O=S(=O)(O)C[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O>>Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C.O.O=C[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O.O=S(O)O | MWELVALLLLTLAYLFWPKRRCPGAKYPKSLLSLPLVGSLPFLPRHGHMHNNFFKLQKKYGPIYSVRMGTKTTVIVGHHQLAKEVLIKKGKDFSGRPQVTTLDILSNNRKGIAFADYGAHWQLHRRLAMATFALFKDGDQKLEKIICQEISTLCDMLATHNGQTIDISFPVFVAITNVISLICFNISYKNGDPELKIVHNYNEGIIDSLGKESLVDLFPWLKVFPNKTLEKLKRHVKTRNDLLTKIFENYKEKFRSDSITNMLDVLMQAKMNSDNGNAGPDQDSELLSDNHILTTIGDIFGAGVETTTSVVKWIVAFLLH... | 0 |
14,379 | 77,755 | UN | 77,755 | P74840 | C/C=C/CCCCC/C=C/C(C(=O)[O-])C(O)(CC(=O)[O-])C(=O)[O-].[H+].[H+]>>C/C=C/CCCCC/C=C/C1=C(CC(=O)[O-])C(=O)OC1=O.[H]O[H].[H]O[H] | null | C/C=C/CCCCC/C=C/C(C(=O)O)C(O)(CC(=O)O)C(=O)O>>C/C=C/CCCCC/C=C/C1=C(CC(=O)O)C(=O)OC1=O.O.O | MSTQELNIRPDFDREIVDIVDYVMNYEITSKVAYDTAHYCLLDTLGCGLEALEYPACKKLLGPIVPGTVVPNGARVPGTQFQLDPVQAAFNIGAMIRWLDFNDTWLAAEWGHPSDNLGGILATADWLSRNAVAAGKAPLTMKQVLSGMIKAHEIQGCIALENAFNRVGLDHVLLVKVASTAVVAEMLGLTRDEILNAVSLAWVDGQSLRTYRHAPNTGTRKSWAAGDATSRAVRLALMAKTGEMGYPSALTAKTWGFYDVSFKGETFRFQRPYGSYVMENVLFKISFPAEFHSQTAVEAAMTLYEQMQAAGKTAADIEKV... | 0 |
14,380 | 76,092 | LR | 76,091 | B9DFU2 | 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 | MKTQHQWWEVLDPFLTQHEALIAFLTFAAVVIVIYLYRPSWSVCNVPGPTAMPLVGHLPLMAKYGPDVFSVLAKQYGPIFRFQMGRQPLIIIAEAELCREVGIKKFKDLPNRSIPSPISASPLHKKGLFFTRDKRWSKMRNTILSLYQPSHLTSLIPTMHSFITSATHNLDSKPRDIVFSNLFLKLTTDIIGQAAFGVDFGLSGKKPIKDVEVTDFINQHVYSTTQLKMDLSGSLSIILGLLIPILQEPFRQVLKRIPGTMDWRVEKTNARLSGQLNEIVSKRAKEAETDSKDFLSLILKARESDPFAKNIFTSDYISAV... | 1 |
14,381 | 81,143 | UN | 81,143 | Q6Z1Y6 | COC1=C2\OCO\C2=C/C(C[C@H]2C[NH2+][C@@H](CC3=CC=CC=C3)CN2C(=O)/C=C/C2=CC=CC=C2)=C\1.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-]>>COC1=C2\OCO\C2=C/C(C[C@H]2CN(C(C)=O)[C@@H](CC3=CC=CC=C3)CN2C(=O)/C=C/C2=CC=CC=C2)=C\1.CC(C)(COP(=O)([O-])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.COc1cc(C[C@H]2CN[C@@H](Cc3ccccc3)CN2C(=O)/C=C/c2ccccc2)cc2c1OCO2>>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.COc1cc(C[C@H]2CN(C(C)=O)[C@... | MQMQAARPRVGVRPRGGIRPFPLPTLSFNNNSNRSACACACAVSVSDSELAARGFAVRRSSTGLDVGALNEVFARVGFPRRQEERLRRALEHSEVVWLEDSASSSAGRPVAFARAAGDGVFNAVVWDVVVEPSCQGLGLGRAVMERLVADLRGKGVSNIALYAEPRVVGFYRLLGFAMDPDAIRGMAFYRSRQQIQNTSS | 0 |
14,382 | 79,535 | UN | 79,535 | B7LA64 | 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... | MPHSYDYDAIVIGSGPGGEGAAMGLVKQGARVAVIERYQNVGGGCTHWGTIPSKALRHAVSRIIEFNQNPLYSDHSRLLRSSFADILNHADNVINQQTRMRQGFYERNHCEILQGNARFVDEHTLALDCPDGSVETLTAEKFVIACGSRPYHPTDVDFTHPRIYDSDSILSMHHEPRHVLIYGAGVIGCEYASIFRGMDVKVDLINTRDRLLAFLDQEMSDSLSYHFWNSGVVIRHNEEYEKIEGCDDGVIMHLKSGKKLKADCLLYANGRTGNTDSLALQNIGLETDSRGQLKVNSMYQTAQPHVYAVGDVIGYPSLAS... | 0 |
14,383 | 69,312 | UN | 69,312 | Q9JIX3 | 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 | MSFKFGQHLIKPSVVFLKTELSFALVNRKPVVPGHVLMCPLRPVERFRDLRPDEVADLFQVTQRVGTVVEKHFQGTSITFSMQDGPEAGQTVKHVHVHILPRKSGDFRRNDNIYDELQKHDREEEDSPAFWRSEEEMAAEAEVLRAYFQA | 0 |
14,384 | 81,127 | UN | 81,127 | P0DKI7 | COC1=CC(C[C@H]2CN(C(C)=O)[C@@H](CC3=CC=CC=C3)CN2C(=O)/C=C/C2=CC=CC=C2)=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=C2\OCO\C2=C/C(C[C@H]2CN(C(C)=O)[C@@H](CC3=CC=CC=C3)CN2C(=O)/C=C/C2=CC=CC=C2)=C\1.CC1=C(C)C=C2C(=C1)/N=C1/C(=O)[N-]C(=O)N=C1N2C[C@H](O)[C@H](O)[C@H]... | null | COc1cc(C[C@H]2CN(C(C)=O)[C@@H](Cc3ccccc3)CN2C(=O)/C=C/c2ccccc2)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(C)=O)[C@@H](Cc3ccccc3)CN2C(=O)/C=C/c2ccccc2)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 | MELQYISYFQPTSSVVALLLALVSILSSVVVLRKTFLNNYSSSPASSTKTAVLSHQRQQSCALPISGLLHIFMNKNGLIHVTLGNMADKYGPIFSFPTGSHRTLVVSSWEMVKECFTGNNDTAFSNRPIPLAFKTIFYACGGIDSYGLSSVPYGKYWRELRKVCVHNLLSNQQLLKFRHLIISQVDTSFNKLYELCKNSEDNHGNYTTTTTTAAGMVRIDDWLAELSFNVIGRIVCGFQSGPKTGAPSRVEQFKEAINEASYFMSTSPVSDNVPMLGWIDQLTGLTRNMKHCGKKLDLVVESIINDHRQKRRFSRTKGGD... | 0 |
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