id int64 | RHEA_ID int64 | DIRECTION string | MASTER_ID int64 | UniprotID string | SMILES string | EC number string | CANO_RXN_SMILES string | sequence string | Label int64 |
|---|---|---|---|---|---|---|---|---|---|
15,095 | 80,259 | UN | 80,259 | E3HCT1 | NC(=[NH2+])NCCC[C@@H]1NC(=O)/C(=C/C2=CC=C(O)C(OCC[C@H](NC(=O)C[C@](O)(CC(=O)[O-])C(=O)[O-])C(=O)[O-])=C2)NC1=O.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=CC=C(/C=C2\NC(=O)[C@H](CCCNC(N)=[NH2+])NC2=O)C=C1OCC[C@H](NC(=O)C[C@](O)(CC(=O)[O-])C(=O)[O-])C(=O)[O-].NC1=NC=NC2=C1N=CN... | 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(N)NCCC[C@@H]1NC(=O)/C(=C/c2ccc(O)c(OCC[C@H](NC(=O)C[C@](O)(CC(=O)O)C(=O)O)C(=O)O)c2)NC1=O>>COc1ccc(/C=C2\NC(=O)[C@H](CCCNC(=N)N)NC2=O)cc1OCC[C@H](NC(=O)C[C@](O)(CC(=O)O)C(=O)O)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]... | MIDKKKVNRNFSKGAKTYDEYALIQRHMADKLGIFIEDSEEVFNILEIGCGTGIFSEKILNKFPNSNIDFLDISHDMIKNVKDKIGSKENLNFIVEDIEKYQPQKKYDLIFSNATFQWIQNKKGLFDHLDSFLKPGGLILFSTFGKDTYFELRESLKSIDPDLEYSQNFISLEDLKKVLDDKYKILAAEEERIKENYHCVMDFLKMIKGIGANSALSNSKPFTRDKFNRLEDEYRKNYCSGDSIEVTNHLIYMILGKNY | 0 |
15,096 | 80,319 | UN | 80,319 | Q6JTJ0 | [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@... | MDALSLVNSTVAKFNEVTQLQASPAILSTALTAIAGIIVLLVITSKRRSSLKLPPGKLGLPFIGETLEFVKALRSDTLRQFVEEREGKFGRVFKTSLLGKPTVILCGPAGNRLVLSNEEKLLHVSWSAQIARILGLNSVAVKRGDDHRVLRVALAGFLGSAGLQLYIGKMSALIRNHINEKWKGKDEVNVLSLVRDLVMDNSAILFFNIYDKERKQQLHEILKIILASHFGIPLNIPGFLYRKALKGSLKRKKILSALLEKRKDELRSRLASSNQDLLSVLLSFRDERGKPLSDEAVLDNCFAMLDASYDTTTSQMTLIL... | 0 |
15,097 | 76,419 | UN | 76,419 | Q06367 | 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 | MSTSAMELLLTATIFCLVLWVVRIFRPQVPKGLKSPPGPWGWPLIGHMLTLGKNPHLALTRLSARYGDVLQIRIGSTPVVVLSGLDTIRQALVRQGDDFKGRPDLYSFTFISDGQSMTFNPDSGPVWAARRRLAQSALKSFSVASDPASVSSCYLEEHVKKEAEYLIKKFQELMAGPGHFDPYRYVVVSVANVISAICFGQRYSHDDQQLLELIDLNNEFGEVTGSGNPSDFIPILRYLPSATMDTFKDLNRRFSVFIQKMIKEHYKTFEKGHIRDITDSLIEHCQDRKLDKNANIQISDQKIIGIVLDLFGAGFDTITT... | 0 |
15,099 | 79,263 | UN | 79,263 | Q5E9N4 | 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 | MNYARFITATSAARKPSTIRVMTEILSKAPKSVISLATGAPNPNTFPFKTAVITIENGKPIQFNEQMMKRALQYSQSAGIPELLSWLKQLQVKLHNPPTIHYAPTQGQMDLCVTCGSQEGLCKVFEMIVNPGDNILVNEPIYSGTIHALQPLGCNMINVSSDEHGIIPDSLREILSKWKPEDSKNPKKNSPKFLYTVPNGNNPSGNSLTAERKREIYELARKYDFLIIEDDPYYFMQFNKPWAPTFLSMDEDGRVIRADSFSKVLSSGLRIGFITGPKPLIERIVLHIQVSTMHPSTFAQLLVSQLLYQWGEEGFLGHVD... | 0 |
15,100 | 81,995 | UN | 81,995 | A0A224AM54 | 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... | MSDSGGFDSHPHVALIPSAGMGHLTPFLRLAASLVQHHCRVTLITTYPTVSLAETQHVSHFLSAYPQVTEKRFHLLPFDPNSANATDPFFLRWEAIRRSAHLLAPLLSPPLSALITDVTLISAVLPVTINLHLPNYVLFTASARMFSLTASFPAIVASKSTSSGSVEFDDDFIEIPGLPPIPLSSVPPAVMDSKSLFATSFLENGNSFVKSNGVLINSFDALEADTLVALNGRRVVAGLPPVYAVGPLLPCEFEKRDDPSTSLILKWLDDQPEGSVVYVSFGSRLALSMEQTKELGNGLLSSGCRFLWVVKGKTVDKEDE... | 0 |
15,101 | 51,009 | LR | 51,008 | A0A3F2YLY8 | [Fe+3].[Fe+3].CO>>[Fe+2].[Fe+2].[H]C([H])=O.[H+].[H+] | 1.1.2.7 | CO.[Fe+3].[Fe+3]>>C=O.[Fe+2].[Fe+2] | MKKPVKSWLIASTVAALLAVPAVSQANSEVEKLTKNPANWATWGGNYHGTRYSELKQINTSNVKNLQPAWTFSTGVLRGHEGGPLVVNDVMYIHTPFPNTVYAIDQKTQAVIWEYTPQQDADVTIPVMCCDTVNRGLAYGDGKIFLQQSDTVLTALDAKTGKRVWSVQNGDPKLGMTNTQAPLVVKDKVITGISGGEFGVRGFLAAYNIRTGELDWKGYSMGPDADTLINPTKTTTWKDGKVQPVGKDSSTSTWEGDQWKIGGGTTWGWYSYDPELNLVYYGSGNPSTWNPAQRPGDNKWSMSLWARNADTGEVKWVYQM... | 1 |
15,102 | 75,907 | UN | 75,907 | Q2PQN9 | [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 | MQKYEKLEKIGEGTYGTVFKGRNRETLEIVALKRVRLDEDDEGVPSSALREICLLKELKHKNIVRLYDVLHSEKKLTLVFEHCDQDLKKYFDSLNGDIDMAVCRSFMLQLLRGLAFCHSHNVLHRDLKPQNLLINKNGELKLADFGLARAFGIPVKCYSAEVVTLWYRPPDVLFGAKLYTTSIDMWSAGCIFAELADAGRPLFPGSDVLDQLMKIFRVLGTPTEESWPGVTHLSDYVALPHFPAITSWSQIVPRLSSKGRDLLQKLLVCRPNQRVSAEQAMQHPYFTDSSNH | 0 |
15,103 | 65,768 | UN | 65,768 | E3VWJ9 | *C1=C(*)C=C(NC(=O)N(C)C)C=C1.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.O=O.[H+].[H+]>>*C1=C(*)C=C(NC(=O)NC)C=C1.[H]C([H])=O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H] | 1.14.15.38 | *c1ccc(NC(=O)N(C)C)cc1*.O=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1>>*c1ccc(NC(=O)NC)cc1*.C=O.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1 | MNELPRLPFDNPAILGIAPQMRALQKEGPIVRVRTAGEDAWLITRYDEVKALLSDRRLGLSDPKPERAAKSTARITMMALMAGDDYDREATEHPQMRELLVPRFSTRRMRVMKARIEQHVDELLDQLAASVAPVDLHRALSFPLPTMVVCDLLGVPLADRERIGQWARGTFDQSDSLHSVNTFQQVVDYMMELVQRKRTEPGDDILSELIAEKDGTLSDEYIAHLGCAVLLFGYETTIVRIDMGVLLMLRNPAQRALLAENPALAPAAVEEILRLAVGGKGSNALIPRYAHSDITVGETVIRTGDAVMLAIGAANIDGHA... | 0 |
15,104 | 81,407 | UN | 81,407 | Q9WZC1 | NC1=NC=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)([O-])[O-])O1.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@]1(COP(=O)([O-])[O-])O[C@@]([H])(N2C=NC3=C(N)N=CN=C32)[C@@H]1C=O.C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O.CSCC[C@H]([NH3+])C(=O)[O-].[H+] | 5.3.99.13 | C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)O)O1>>CSCC[C@H](N)C(=O)O.C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@H]1C=O | MRFYIKTFGCQMNENDSEAMAGLLVKEGFTPASSPEEADVVIINTCAVRRKSEEKAYSELGQVLKLKKKKKIVVGVAGCVAEKEREKFLEKGADFVLGTRAVPRVTEAVKKALEGEKVALFEDHLDEYTHELPRIRTSRHHAWVTIIHGCDRFCTYCIVPYTRGRERSRPMADILEEVKKLAEQGYREVTFLGQNVDAYGKDLKDGSSLAKLLEEASKIEGIERIWFLTSYPTDFSDELIEVIAKNPKVAKSVHLPVQSGSNRILKLMNRRYTKEEYLALLEKIRSKVPEVAISSDIIVGFPTETEEDFMETVDLVEKAQ... | 0 |
15,105 | 62,376 | UN | 62,376 | Q0QFQ3 | C[C@H](O)C(=O)CC(=O)C(=O)[O-].[H]O[H]>>C[C@H](O)C(=O)[O-].CC(=O)C(=O)[O-].[H+] | 3.7.1.26 | C[C@H](O)C(=O)CC(=O)C(=O)O.O>>CC(=O)C(=O)O.C[C@H](O)C(=O)O | MKICRFNENRLGVVDGDEVLDVTEALSVLPSYEYPLPGYDPLIKHLDALLARIETLIKDAPRILLADVRLLSPVANPGKIIAAPINYTRHLQEVLADSAINNGVASFTQHIKKSGLFLKANSSLAGAGEGVALSHQDRRNDHEVELAIVIGKTARNVPREKSLEYVAGYCIGIDMTVRGPEERSFRKSPDSYTILGPWLVTRDEIDSPGELQMSLKVNGEVRQNANTSDLILGVEELVEFASSFYTLHPGDVIISGTPEGVGPVNPGDAMLAEIERIGTMTIAIRSV | 0 |
15,106 | 78,767 | UN | 78,767 | Q6VMW1 | 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 | MAPKEDSLALAEAWNHGFGFIKTSIVKTAVELGIPDILESRGAPVSIPELAAAVDCSADRLYRVMRFLAYHGIFKRTEPPPESTGGGSVYYAQTLVSRRLTRENLGPFVLLQGTMREPSGCVTAETLRMSKRPGLVDDNDSDRLYEDPVFSMKVFRDAMASHARMTTAAVIENYGEGFLGVGSLVDVGGSYGMALSMLVKAFPWLRGICFDLPEVVARASPLKGVEFVAGSMFESIPKADVVMLMFVLHNWSDEECVEILKRCKDAVPKNKGKVIIIDAVIDEDGNGDEFTGARLGLDVTMMANMFEGRERTYVEWAHII... | 0 |
15,107 | 75,907 | UN | 75,907 | O64783 | [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 | MGKIGIVFFASLLFLLIIFPSCAFAAITRASPLSIGQTLSSPNGTYELGFFSPNNSRNQYVGIWFKNITPRVVVWVANRDKPVTNNAANLTINSNGSLILVEREQNVVWSIGETFSSNELRAELLENGNLVLIDGVSERNLWESFEHLGDTMLLESSVMYDVPNNKKRVLSSWKNPTDPSPGEFVAELTTQVPPQGFIMRGSRPYWRGGPWARVRFTGIPEMDGSHVSKFDISQDVAAGTGSLTYSLERRNSNLSYTTLTSAGSLKIIWNNGSGWVTDLEAPVSSCDVYNTCGPFGLCIRSNPPKCECLKGFVPKSDEEW... | 0 |
15,108 | 77,231 | UN | 77,231 | P97675 | 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 | MDSRLALATEEPIKKDSLKRYKILCAVLLALLVIVSLGLGLGLGLRKPEEHIGSCRKKCFDSSHRGLEGCRCDSGCTDRGDCCWDFEDTCVKSTQIWTCNSFRCGETRLEAALCSCADDCLQRKDCCTDYKAVCQGEVPWVTEACASSQEPQCPEGFDQPPVILFSMDGFRAEYLQTWSTLLPNINKLKTCGLHSKYMRAMYPTKTFPNHYTIVTGLYPESHGIIDNNMYDVYLNKNFSLSSVEKSNPAWWSGQPIWLTAMYQGLKAASYYWPGSDVAVNGSFPNIYRNYSNSVPYESRIATLLQWLDLPKAERPSFYTI... | 0 |
15,109 | 79,295 | UN | 79,295 | P67549 | [NH3+]CCCCCN(O)C(=O)CCC(=O)[O-].[NH3+]CCCCCN(O)C(=O)CCC(=O)[O-].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O>>[NH3+]CCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(=O)CCC(=O)[O-].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O.O=P([O-])([O-])OP(=O)([O-])O.[H+] | null | NCCCCCN(O)C(=O)CCC(=O)O.NCCCCCN(O)C(=O)CCC(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>NCCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(=O)CCC(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O | MYSIKMRSSNQDVHISGAETICEFDKIEQTVQRFYNKGFFHENGQPDFLNIKIQKIMEPIQQIKALQIIEDDKANLQHLTQECGVTEQALNQGMTYIKNETVYTGAIILSAISGKRLDSFGQRGIRATHFSFEDINNKGDLNERVTDALAIASCINAHPYVKGELCVSDDLTYTTGYFAAAKIGYHRLFDIKPVNTRYGGRIIFVDDCIDLNHYISFLESTPKQVVYETV | 0 |
15,110 | 80,947 | UN | 80,947 | Q2W3L2 | *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 | MKGLDDSIGRFLDGLDQAGRKRVLRPVDPLPAGRVRVGGRELVNFSSNDYLGLSRHPEVVERSRRWLNEYGAGSGASRLVTGHLAAMEALEAKIARCKQTEAALILASGWQCNASVLPALLDKALWGAEPLVFADKLIHASLHAGLELSGARRYRYRHDDLDHLESLLKAHADKEGPRFIVTETVFSMDGDVTDMAALAALASRWDAFLYVDEAHATGVLGANGFGLSPGMGAELAMGTFSKGLGSFGAYVACSARLRHYLINRASGLIYATGLPPAVLGAIDAALDLVPRLEGERTRLQMMGRRLRDGLRAAGLDTGPS... | 0 |
15,111 | 81,496 | LR | 81,495 | B9ZUK6 | CCCC[C@@H](C)[C@H](O)[C@H](C)C(=O)/C(C)=C/[C@@H](OC)[C@@H](O)[C@@H](OCC)C(=O)N[C@H](CC1=CC=C(O)C(Cl)=C1)C(=O)[O-].CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N3C=NC4=C3N=CN=C4N)[C@H](O)[C@@H]1O)C1=NC(=O)[N-]C(=O)C1=N2.[H+].[H+]>>CCCC[C@@H](C)[C@H](O)[C@H](C)C(=O)/C(C)=C/[C@@H](OC... | 4.1.1.129 | CCCC[C@@H](C)[C@H](O)[C@H](C)C(=O)/C(C)=C/[C@@H](OC)[C@@H](O)[C@@H](OCC)C(=O)N[C@H](Cc1ccc(O)c(Cl)c1)C(=O)O.Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)c2cc1C>>CCCC[C@@H](C)[C@H](O)[C@H](C)C(=O)/C(C)=C/[C@@H](OC)[C@@H](O)[C@@H](OCC)C(=O)N/C=... | MNTQPLERALAAFREVLGTAHVSTDESARAAAETATFATTHRIPAIISPGSAAEVEACVRIAREHGVPLYPVSTGKNWGYGSRVPTSDGAIVLSLARMNRILDFNEELAYVAIEPGVTMRQLVAYLNDRGSRLMLSVTGSTPDSSVVGNICDRGFGAGVNAERIAHICNIEVVLPNGERLNTGFGRFPGAQTASIHRWGIGPQLDGLFTQSNLGIVTRMTIWLAPRPRHHEIFYFRLRDERRVEAVTDIIRDLKLQGLPRASVSLWNDYKLVSMKGQYPWQEAAGKTPLPEALLAKLRRAWGGAAWLGGGAILAASQDQI... | 1 |
15,112 | 22,464 | UN | 22,464 | A1CFL5 | [NH3+][C@@H](CC1=CC=C(O)C=C1)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>>O=C([O-])[C@H](CC1=CC=C(O)C=C1)NO.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 | 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.N[C@@H](Cc1ccc(O)cc1)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)O)c2cc1C.O.O=C(O)[C@H](Cc1ccc(O)cc1)NO | MEPMLLLILVAAVVLLFVRWAFVYGHRTSNMPKGPPTLPFIGNIHQIPTQYTHIKFTEWAAKYGGLYMLKVGNGNMAVVTDRRLVKEVVDRKSGIYSHRPHSFVSHELITKGNHLLVMHYGDQWRTFRRLIHQHLMESMVDSQHVKIVNAEAIQLVRDYLVDPEHHMAHPKRFSNSITNSIVFGIRTADRNGSNMKRLYKLMEEWSEIMETGATPPVDLFPWMKMLPQWMFSNYVNRAKAIGVQMETLYTDILNKVIKRRNGGQNLGTFMDRVLDGQEKNDLPWHQLAFIGGVLMEGGSDTSSSLTIAIVQALILNPAVQ... | 0 |
15,113 | 80,647 | UN | 80,647 | Q6K3D8 | *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 | MASKPGPLTQWPWHNLGNYKYALVAPSAAYSTYRFVTASSAAERDLLNFMVFPMLLLRLLYGQLWITVSRHQTARSKHKIVNKSLDFEQIDRERNWDDQIILTALVFYLVSATMPQAQVAPWWSTKGMVVTAVLHAGPVEFLYYWLHRALHHHWLYARYHSHHHASIVTEPITSVIHPFAEEVVYFVLLAIPILSTVATGTVSVVTANGYLVYIDFMNYLGHCNFELVPKCLFHVFPPLKYLLYTPSFHSLHHTQFRTNYSLFMPVYDYIYGTTDKSSDELYERTLQGRDEAAWRPDVVHLTHLTTPESVFHNRLGFAAV... | 0 |
15,114 | 80,267 | UN | 80,267 | B8D6W2 | NC(=[NH2+])NCCC[C@@H]1NC(=O)/C(=C/C2=CC=C(O)C(OCC[C@H](NC(=O)C[C@](O)(CC(=O)[O-])C(=O)[O-])C(=O)[O-])=C2)NC1=O.[NH3+][C@@H](CC(=O)[O-])C(=O)[O-].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O>>NC(=[NH2+])NCCC[C@@H]1NC(=O)/C(=C/C2=CC=C(O)C(OCC[C@H](NC(=O)C[C@](O)(CC(=O)N[C@@H]... | null | N=C(N)NCCC[C@@H]1NC(=O)/C(=C/c2ccc(O)c(OCC[C@H](NC(=O)C[C@](O)(CC(=O)O)C(=O)O)C(=O)O)c2)NC1=O.N[C@@H](CC(=O)O)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>N=C(N)NCCC[C@@H]1NC(=O)/C(=C/c2ccc(O)c(OCC[C@H](NC(=O)C[C@](O)(CC(=O)N[C@@H](CC(=O)O)C(=O)O)C(=O)O)C(=O)O)c2)NC1=O.Nc1ncnc2c1nc... | MIRKKNNKVVLAYSGGLDTSAIIPWLKENYNFEVVAFVADIGQSKKDLNGIEKKSLESGASSCHVFDLKEEFIENYVYPVLKTGALYEGSYLLGTAMARPIIAKKQVELALNIGANSLCHGATGKGNDQVRFEMAYAALAPNLNVIAPWREWNLNSRESLLKYLDKKNISTTATLEKIYSKDENSWHISTEGGLLENPWNQSNEDCWSWTVNPEDAPEKPEYVSLQLKEGCVVSVNNQKLNPLKCVEELNSLGAKHGIGRIDIIENRLIGMKSRGCYETPGGTIIMTAIKAIEQLVLDRESFRWREKIGLEMSSIVYDGR... | 0 |
15,115 | 74,527 | UN | 74,527 | A5DCB6 | C[NH+](C)CCCC[C@H]([NH3+])C(=O)[O-].[H+]>>C[NH+](C)CCCCC[NH3+].O=C=O | null | CN(C)CCCC[C@H](N)C(=O)O>>CN(C)CCCCCN.O=C=O | MTKMDHKIVKTSYDGDAVSVEWDGGASAKFDNIWLRDNCHCSECYYDATKQRLLNSCSIPDDIAPIKVDSSPTKLKIVWNHEEHQSEYECRWLVIHSYNPRQIPVTEKVSGEREILAREYWTVKDMEGRLPSVDFKTVMASTDENEEPIKDWCLKIWKHGFCFIDNVPVDPQETEKLCEKLMYIRPTHYGGFWDFTSDLSKNDTAYTNIDISSHTDGTYWSDTPGLQLFHLLMHEGTGGTTSLVDAFHCAEILKKEHPESFELLTRIPVPAHSAGEEKVCIQPDIPQPIFKLDTNGELIQVRWNQSDRSTMDSWENPSEV... | 0 |
15,116 | 79,571 | UN | 79,571 | P94845 | NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)[O-].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O.O=P([O-])([O-])O.[H+]>>NC(=O)NCCC[C@H]([NH3+])C(=O)[O-].[H][N+]([H])([H])[H].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O | null | N=C(N)NCCC[C@H](N)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)O>>N.NC(=O)NCCC[C@H](N)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O | MIVRTQNSESKIKEFFEFCKENEVEFVDFRFSDIKGTWNHIAYSFGALTHGMLKEGIPFDASCFKGWQGIEHSDMILTPDLVRYFIDPFSADVSVVVFCDVYDVYKNQPYEKCPRSIAKKALQHLKDSGLGDVAYFGAENEFFIFDSIKIKDASNSQYYEVDSEEGEWNRDRSFENGVNFGHRPGKQGGYMPVPPTDTMMDIRTEIVKVLNQVGLETFVVHHEVAQAQGEVGVKFGDLVEAADNVQKLKYVVKMVAHLNGKTATFMPKPLYGDNGSGMHTHVSVWKNNENLFSGETYKGLSEFALHFLGGVLRHARGLAA... | 0 |
15,117 | 56,480 | UN | 56,480 | V4HJ70 | *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... | MSEFKSYDVVIIGSGPAGSLCGIECRKKGLSVLCIEKDEFPRFHIGESLTGNAGQIIRDLGLAEEMDAAGFPDKPGVNVIGSLSKNEFFIPILAPTWQVKRSDFDNMLKRKALEHGVEYQQGLVKDVIKHDGKVVGAIYKADDMEHQVRSKVLVDASGQNTFLSRKGIAGKREIEFFSQQIASFAHYKGVERDLPPFSTNTTILYSKQYHWSWIIPISPDTDSLGIVIPKDLYYKECKNPDDAIEWGMENISPEIRRRFQNAERIGDSQSMADFSYRIEPFVGDGWLCIGDAHRFLDPIFSYGVSFAMKEGIRAADAIKQ... | 1 |
15,118 | 66,920 | UN | 66,920 | Q72JR7 | 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 | MELYLDTASLEEIREIAAWGVLSGVTTNPTLVAKVFAAKGEALTEEAFAAHLRAICETVGGPVSAEVTALEAEAMVAEGRRLAAIHPQIVVKLPTTEEGLKACKRLSAEGIRVNMTLIFSANQALLAARAGASYVSPFLGRVDDISWDGGELLREIVEMIQVQDLPVKVIAASIRHPRHVTEAALLGADIATMPHAVFKQLLKHPLTDIGLKRFLEDWEKVKP | 0 |
15,119 | 46,788 | UN | 46,788 | F1CMY8 | *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 | MSIDTARSGSDDDVEIREIQAAAAPTRFARGWHCLGLLRDFQDGKPHSIEAFGTKLVVFADSKGQLNVLDAYCRHMGGDLSRGEVKGDSIACPFHDWRWNGKGKCTDIPYARRVPPIAKTRAWTTLERNGQLYVWNDPQGNPPPEDVTIPEIAGYGTDEWTDWSWKSLRIKGSHCREIVDNVVDMAHFFYIHYSFPRYFKNVFEGHTATQYMHSTGREDVISGTNYDDPNAELRSEATYFGPSYMIDWLESDANGQTIETILINCHYPVSNNEFVLQYGAIVKKLPGVSDEIAAGMAEQFAEGVQLGFEQDVEIWKNKAP... | 0 |
15,120 | 80,299 | UN | 80,299 | Q9C5M3 | [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@]34C[C@]3(CC[C@@]4([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[C@]34C[C@]23CC[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3C[C@@H](O)[C@]24C)C(O)O1 | MWKLKIGKGNGEDPHLFSSNNFVGRQTWKFDHKAGSPEERAAVEEARRGFLDNRFRVKGCSDLLWRMQFLREKKFEQGIPQLKATNIEEITYETTTNALRRGVRYFTALQASDGHWPGEITGPLFFLPPLIFCLYITGHLEEVFDAEHRKEMLRHIYCHQNEDGGWGLHIESKSVMFCTVLNYICLRMLGENPEQDACKRARQWILDRGGVIFIPSWGKFWLSILGVYDWSGTNPTPPELLMLPSFLPIHPGKILCYSRMVSIPMSYLYGKRFVGPITPLILLLREELYLEPYEEINWKKSRRLYAKEDMYYAHPLVQDL... | 0 |
15,121 | 77,475 | UN | 77,475 | Q6PH17 | 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 | MDFPYDLNALFPERISVLDSNLSAGRKAHGRPDPLPQVTTVIDELGKASSKAQQLPAPITSAAKLQANRHHLYLLKDGEQNGGRGVIVGFLKVGYKKLFLLDQRGAHLETEPLCVLDFYVTETLQRHGYGSELFDFMLKHKQVEPAQMAYDRPSPKFLSFLEKRYDLRNSVPQVNNFVVFAGFFQSRSAVQLRKVPPRKPEGEIKPYSLMEREVVREEQRVLPWPFVRPGGPPHSPPLLPSSPQSRSLSVGSSPSRAPLRPAAATVLQQGQTPSSPLNDSCRAKRTSSLNRSRLSFH | 0 |
15,122 | 75,903 | UN | 75,903 | Q8S8Y9 | [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 | MNGEESFVEDCSVFVEIDPSGRYGRYDEILGKGASKTVYRAFDEYEGIEVAWNQVKLRNFTRNPEELEKFFREIHLLKTLNHQNIMKFYTSWVDTNNLSINFVTELFTSGTLRQYRLRHRRVNIRAVKQWCKQILKGLLYLHSRSPPIIHRDLKCDNIFINGNQGEVKIGDLGLAAILRKSHAVRCVGTPEFMAPEVYDEEYNELVDVYAFGMCVLEMVTFDYPYSECTHPAQIYKKVTSGKKPEAFYLVKDPEVREFVEKCLANVTCRLTALELLQDPFLQDDNMDGFVMRPIDYYNGYDETGVFLRHPLIDDPLYHDQ... | 0 |
15,123 | 82,199 | UN | 82,199 | Q16739 | CCCCCCC(C)C/C(C)=C\C(C)/C=C(C)/C=C/C(O)C(C)(C)C1=CC(O)=CC(=O)O1.O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C(=O)N1>>CCCCCCC(C)C/C(C)=C\C(C)/C=C(C)/C=C/C(O)C(C)(C)C1=CC([O-])=C([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C(=O)O1.O=C1C=CN([C@@H]2O[C@H](COP(=O)([... | null | CCCCCCC(C)C/C(C)=C\C(C)/C=C(C)/C=C/C(O)C(C)(C)c1cc(O)cc(=O)o1.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1>>CCCCCCC(C)C/C(C)=C\C(C)/C=C(C)/C=C/C(O)C(C)(C)c1cc(O)c([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(=O)o1.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)... | MALLDLALEGMAVFGFVLFLVLWLMHFMAIIYTRLHLNKKATDKQPYSKLPGVSLLKPLKGVDPNLINNLETFFELDYPKYEVLLCVQDHDDPAIDVCKKLLGKYPNVDARLFIGGKKVGINPKINNLMPGYEVAKYDLIWICDSGIRVIPDTLTDMVNQMTEKVGLVHGLPYVADRQGFAATLEQVYFGTSHPRYYISANVTGFKCVTGMSCLMRKDVLDQAGGLIAFAQYIAEDYFMAKAIADRGWRFAMSTQVAMQNSGSYSISQFQSRMIRWTKLRINMLPATIICEPISECFVASLIIGWAAHHVFRWDIMVFFM... | 0 |
15,124 | 76,531 | UN | 76,531 | C6UFC3 | 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)... | MQDAVPRLTFTLRDEERLMMKIGVFVPIGNNGWLISTHAPQYMPTFELNKAIVQKAEHYHFDFALSMIKLRGFGGKTEFWDHNLESFTLMAGLAAVTSRIQIYATAATLTLPPAIVARMAATIDSISGGRFGVNLVTGWQKPEYEQMGIWPGDDYFSRRYDYLTEYVQVLRDLWGTGKSDFKGDFFTMNDCRVSPQPSVPMKVICAGQSDAGMAFSAQYADFNFCFGKGVNTPTAFAPTAARMKQAAEQTGRDVGSYVLFMVIADETDDAARAKWEHYKAGADEEALSWLTEQSQKDTRSGTDTNVRQMADPTSAVNINM... | 0 |
15,125 | 77,183 | UN | 77,183 | O13427 | 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 | MTADEEETFTTFNEFRSDTFTVPTRAMVEDGFMNATFGDSVYQEDETTLRLESKMCEITGKPAALFCVSGTMSNQIGLRANLVQPPYSILCDYRAHVFLHEAGGLATLSQAMVHPVRPSNGNYLTFEDVLGNVTYDDDGDIHAAPTKVISLENTLHGIIIPIEEIRKISEFCRENDIRLHLDGARLWNASVATGISIKEYCSYFDSVSLCLSKSLGAPIGSVLVGDEKFIRKANHFKKQSGGGIRQAGIMSAMAIHAIDYNLSKLELSHNYAKQIGDFCQEHGIKLESPVDTSLVFLDLKANKMDPNRLVELGRTKYNVK... | 0 |
15,126 | 69,272 | UN | 69,272 | F4K1R2 | 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 | MEARRLAILCSHLNPPGPNPTRDPTLRVSDCSSGSSGDGKVESSTLQNDCVFCKIIRGESPCLKLYEDDMCLCILDTNPLSHGHSLIIPKLHYPTLEETPPSVVAAMCSKVPLISNAIVKATGSDSFNLLVNNGAAAGQVIFHTHIHIIPRKERDCLWASESLRRHSLKLDKEASQLVSCVRRHLCSLPEEQLVQPS | 0 |
15,127 | 76,095 | UN | 76,095 | Q5KQT6 | 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 | MAISPTATELLLASFAFCLVFWVVRAWQPRVPKGLKSPPGPWGWPLLGHVLTLGKNPHLVLARLSQRYGDVLQIRIGSTPVLVLSGLDTIRQALVQQGDDFKGRPNLYSFSLVTDGHSMSFSPDSGPVWAARRRLAQSALNTFSIASDPASSSSCYLEDHVSKEAEALLSRLQEQMAEVGSFDPHSQVVLSVANVIGAMCFGQHFPQDSEEKLSLIHSSNIFVENAYSGNPVDFFPILQYIPTPGLQRFKAFNQKLVQFLQKIIQEHYQDFDENNIQDITGALLKHCKKGSRANGGRIPHEKIVSLINDIFGAGFDTVTT... | 0 |
15,128 | 79,083 | UN | 79,083 | P80053 | C[C@H](CC[NH3+])[C@@H]([NH3+])C(=O)NCCCC[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](O)[C@@H]3O)[C@@H](O)[C@H]2O)=C1>>C[C@@H]1CC=N[C@H]1C(=O)NCCCC[C@H]([NH3+])C(=O)[O-].[H][N+]([H])([H])[H].NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[... | null | C[C@H](CCN)[C@@H](N)C(=O)NCCCC[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)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>C[C@@H]1CC=N[C@H]1C(=O)NCCCC[C@H](N)C(=O)O.N.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]2... | MMEEVLSSSLYTQQVKKLYKVGELLGLDNETLETLSQPERIIQVKIQIRGSDGKLKTFMGWRSQHNSALGPYKGGVRYHPNVTQDEVEALSMIMTWKNSLLLLPYGGGKGGVRVDPKKLTREELEQLSRKYIQAIYKYLGSELDIPAPDVNTDSQTMAWFLDEYIKITGKVDFAVFTGKPVELGGIGVRLYSTGLGVATIAKEAANKFIGGVEEARVIIQGFGNVGYYAGKFLSEMGAKIVGVSDSKGGVINEKGIDVGKAIEIKEKTGSVINYPEGRKVTNEELLISDCDILIPAALENVINKFNAPKVKAKLIVEGAN... | 0 |
15,129 | 80,639 | UN | 80,639 | Q9WXB7 | [NH3+]CC=O.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[H]O[H]>>[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41.[NH3+]CC(=O)[O-].[H+].[H+].[H+] | null | NCC=O.O.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41>>NCC(=O)O.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41 | MNDISTVNKLAERIGGSSCSTSCGDGEGSLQVALDPHIKITGAKVFAVYGKGGIGKSTTSSNLSAAFSRLGKRVLQICRDRGADATI | 0 |
15,130 | 79,219 | UN | 79,219 | Q41452 | CSC1=NC(CCC(=O)[O-])=C(O)N1.[H]O[H]>>O=C([O-])CCC1NC(=O)NC1=O.CS | null | CSc1nc(CCC(=O)O)c(O)[nH]1.O>>CS.O=C(O)CCC1NC(=O)NC1=O | MKTIQGQSATTALTMEVARVQAISSITKCMDTIPSEYIRSENEQPAATTLQGVVLEVPVIDISNVDDDEEKLVKEIVEASKEWGIFQVINHGIPDEVIENLQKVGKEFFEEVPQEEKELIAKKPGAQSLEGYGTSLQKEIEGKKGWVDHLFHKIWPPSAINYRYWPKNPPSYREANEEYAKWLRKVADGIFRSLSLGLGLEGHEMMEAAGSEDIVYMLKINYYPPCPRPDLALGVVAHTDMSYITLLVPNEVQVFKDGHWYDVNYIPNAIIVHIGDQVEILSNGKYKSVYHRTTVNKYKTRMSWPVFLEPSSEHEVGPIP... | 0 |
15,131 | 80,211 | UN | 80,211 | C8VBV0 | NC(=[NH2+])NCCC[C@@H]1NC(=O)/C(=C/C2=CC=C(O)C=C2)NC1=O.[H]*[H].O=O>>NC(=[NH2+])NCCC[C@@H]1NC(=O)/C(=C/C2=CC=C(O)C(O)=C2)NC1=O.*.[H]O[H] | null | N=C(N)NCCC[C@@H]1NC(=O)/C(=C/c2ccc(O)cc2)NC1=O.O=O>>N=C(N)NCCC[C@@H]1NC(=O)/C(=C/c2ccc(O)c(O)c2)NC1=O.O | MTTDSYPKKYDIVIVGAGPVGILLSLCMSRWGYKVKHIDNRPVPTATGRADGIQPRSTEILRNLGLKRKIMAYDPAKVYDVSFWDPRPDGSGIMRTGNWPSCPRFIDTRYPFTTLVHQGKIETVFLDEIKKAGTTVERPWTIIGFKNDGLDATYPVQVQLKCLDTNVVETVRAKYLFSGEGARSFVREQLGIQIRHKDPISYVWGVMDGVVRTDFPDIQTKCTIHSDAGSIMVIPREDDMVRLYVQIASSSDPDFNPRKTATAEEVQNVAKKILKPYYIEWDRVEWYSVYPIGQGISEKYTLDERVFMGGDACHTHSPKA... | 0 |
15,132 | 81,103 | UN | 81,103 | Q9LRR0 | CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]>>[H][C@@]12CC=C(C)[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@]1(C)CCCC2(C)C | null | CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1COP(=O)(O)OP(=O)(O)O | MATTVHLSSFSLFIQSRGRRDNSISSVKSLKKRTGLSPSSALTSQGGRDMIPPQGKSNDHNSAFDFKLYMIRKAESVNAALDVSIVPLREPLTVQEAVRYSLLAGGKRVRPLLCIAVCELVGGDEATAMSAACAVEMIHTSSLIHDDLPCMDNADLRRGKPTNHKVFGEDMAVLAGDALLALAFEHMTVVSSGLVASERMIRAVVELARAIGTKGLVAGQVVDLSSERLNPHDVGLERLEFIHLHKTAALLEAAAVIGAIMGGGTEEEIEKLRKYARCIGLLFQVVDDILDVTKSTEELGKTAGKDVMAGKLTYPRLIGL... | 0 |
15,133 | 80,331 | UN | 80,331 | Q0P9D1 | [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](OC(C)=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@... | 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](OC(C)=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](OC... | MARTEKIYIYGASGHGLVCEDVAKNMGYKECIFLDDFKGMKFESTLPKYDFFIAIGNNEIRKKIYQKISENGFKIVNLIHKSALISPSAIVEENAGILIMPYVVINAKAKIEKGVILNTSSVIEHECVIGEFSHVSVGAKCAGNVKIGKNCFLGINSCVLPNLSLADDSILGGGATLVKNQDEKGVFVGVPAKRM | 0 |
15,134 | 75,771 | UN | 75,771 | Q05421 | 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 | MAVLGITVALLVWIATLLLVSIWKQIYRSWNLPPGPFPIPFFGNIFQLDLKDIPKSLTKLAKRFGPVFTLHLGQRRIVVLHGYKAVKEVLLNHKNEFSGRGDIPVFQEYKNKGIIFNNGPTWKDVRRFSLSILRDWGMGKQGNEARIQREAHFLVEELKKTKGQPFDPTFLIGCAPCNVIADILFNKRFDYDDKKCLELMSLFNENFYLLSTPWIQAYNYFSDYLQYLPGSHRKVMKNVSEIRQYTLGKAKEHLKSLDINCPRDVTDCLLIEMEKEKHSQEPMYTMENISVTLADLFFAGTETTSTTLRYGLLILMKYPE... | 0 |
15,135 | 80,223 | UN | 80,223 | P70687 | [H][C@@]12CC[C@H](C(C)C)[C@@]1(C)CC[C@]1(C)/C3=C/C[C@]4([H])[C@](C)(CC[C@H](O)[C@@]4(C)C(=O)[O-])[C@@]3([H])CC[C@@]21C.CC1=C(C)C=C2C(=C1)NC1=C(NC(=O)NC1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].O=O>>[H][C@@]12CC[C@H](C(C)C)[C@@]1(C)CC[C@]1(C)/C3=C/C[C@]4([H])[C@](C)(C[C@@H](O)[C@H](O)[C@@]4(C)C(=O)[O-])[C@@]3([H]... | null | CC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)C3=CC[C@@H]4[C@](C)(CC[C@H](O)[C@@]4(C)C(=O)O)[C@H]3CC[C@@]21C.Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2.O=O>>CC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)C3=CC[C@@H]4[C@](C)(C[C@@H](O)[C@H](O)[C@@]4(C)C(=O)O)[C@H]3CC[C@@]21C.Cc1cc2nc3c(=O)[nH]c(=O)nc-3n... | MWELVALLLLTLAYFFWSKSKTCGAKSPKSLPFLPLVGSLPFIPRHGHPHVNFFKLQEKYGPIYSLRLGSTTTVIIGQYQLAKEVLVKKGKEFSGRPHMVTLGLLSDQGKGIAFADSGGSWQLHRKLALSSFALFRDGNQKLEKIICQKASSLCDFLLTHNEESIDLSEPIFNSITNIICIICFGISYENRDPILATIKSFTEGILNSLGNDHLVDIFPWLTIFPNKTVDMIKKNVKIRDEVLSGILEKCKEKFNSDSISSLMDLLIQAKTNADNNNTSEGQGSNAFSDMHILATIADIFGAGIETTASVLSWIIAFLLH... | 0 |
15,136 | 78,987 | UN | 78,987 | A0A1L6Z3A0 | 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 | MSRFTSATHGLNLSIKMPISVSQVPSIRSNTSKYELQKLRSTGRSVLQTRRQLAIINMTKRSEADDNDGVERRKGVFHPNLWDDGFIQSLSTVYHEQASYRERAERLIGEVKAVFDSISMGDGDQFISPSAYDTAWVARVPAIDGSSRPQFPQAIDWILLNQQQDGSWGSQSHLSLTHRLTDTLACVIALASWKIESVQIDEGLDFITRGVEKLQSESVPAEFEIIFAELLNQAKSLQLSLPYEHSCLQSLWRKQEPILANGLMDSVAKRSLSSLEEMQDHRMNTDSDGTMHVESFLSSPAVAARVLMRTGNPICLAYLN... | 0 |
15,137 | 64,872 | UN | 64,872 | C1L0I0 | 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 | MTKDIMDAVFIKEMAKTTSNLYRLGWDERNGGNITYLLDEKEVVEYLDVKQIIRTIPMDFDGKKLAGKYFLVTGSGKYFKNVEEAPAVNLGVIQVSEDGKAVHLLWGYTDGGLPTSELPAHFMSHIARLSVDPENRVVMHCHATHLLAMTFTHELTEREFTRTLWQMCTECLVVFPEGVGIIPWLVPGTNEIGEATSEKMKENRLIVWPHHGIYGAGKSMDETFGLIETAEKAAEVYTIVMSQGGIKQAITDEQLKALGERFGVEAKAGYLNN | 0 |
15,138 | 79,651 | UN | 79,651 | P55809 | O=C([O-])CCC(=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(=O)CC(=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)CCC(=O)[O-] | 2.3.1.318 | 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.O=C(O)CCC(=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)CCC(=O)O | MAALKLLSSGLRLCASARGSGATWYKGCVCSFSTSAHRHTKFYTDPVEAVKDIPDGATVLVGGFGLCGIPENLIDALLKTGVKGLTAVSNNAGVDNFGLGLLLRSKQIKRMVSSYVGENAEFERQYLSGELEVELTPQGTLAERIRAGGAGVPAFYTPTGYGTLVQEGGSPIKYNKDGSVAIASKPREVREFNGQHFILEEAITGDFALVKAWKADRAGNVIFRKSARNFNLPMCKAAETTVVEVEEIVDIGAFAPEDIHIPQIYVHRLIKGEKYEKRIERLSIRKEGDGEAKSAKPGDDVRERIIKRAALEFEDGMYAN... | 0 |
15,139 | 79,227 | UN | 79,227 | A1DA62 | [H][C@@]12C3=CNC4=C3C(=CC=C4)C(C)(C)[C@@]1([H])C[C@@H](Cl)[C@](C)(C=C)[C@@H]2[N+]#[C-].CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>[H][C@@]12C3=C(C(C)(C)C=C)NC4=C3C(=CC=C4)C(C)(C)[C@@]1([H])C[C@@H](Cl)[C@](C)(C=C)[C@@H]2[N+]#[C-].O=P([O-])([O-])OP(=O)([O-])O | 2.5.1.159 | CC(C)=CCOP(=O)(O)OP(=O)(O)O.[C-]#[N+][C@@H]1[C@@H]2c3c[nH]c4cccc(c34)C(C)(C)[C@H]2C[C@@H](Cl)[C@]1(C)C=C>>O=P(O)(O)OP(=O)(O)O.[C-]#[N+][C@@H]1[C@@H]2c3c(C(C)(C)C=C)[nH]c4cccc(c34)C(C)(C)[C@H]2C[C@@H](Cl)[C@]1(C)C=C | MPPAPPDQKPCHLQPAPYRALSETILFGSLNEERWWHSTAPILSRLLISSNYDVDVQYKYLSLYRHLVLPALGPYPQRDPETGIIATQWRSGMVLTGLPIEFSNNVARALIRIGVDPVTADSGTAQDPFNTARPKGYLETAARLLPGVDLTRFYEFETELVITKEEEAVLQANPDLFKSPWKSQILTAMDLQKSGTVLVKAYFYPQPKSAVTGRSTEELLVNAIRKVDRESRFETQLANLERYMERRRRGLHVPVVTADKPPPTEADKTFDACSFFPHFLSTDLVEPGKSRVKFYASERHVNLKMVEDIWTFGGLRRDPD... | 0 |
15,140 | 77,967 | UN | 77,967 | C1EV72 | 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 | MYDISGWKHVFKLDPNKELSDEHLEMICESGTDAVIVGGSDGVTIDNVLHMLVSIRRYAVPCVLEVSDVEAITPGFDFYYIPSVLNSRKVEWVTGVHHEALKEFGDIMDWDEIFMEGYCVLNPEAKVAQLTDAKCDVTEDDVIAYARLADKLLRLPIFYLEYSGTYGDVELVKNVKAELKQAKLYYGGGISNAEQAEEMAQHADTVVVGNIIYDDIKAALKTVKAVKGE | 0 |
15,141 | 78,411 | UN | 78,411 | B1X9D2 | 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 | MTTLTARPEAITFDPQQSALIVVDMQNAYATPGGYLDLAGFDVSTTRPVIANIQTAVTAARAAGMLIIWFQNGWDEQYVEAGGPGSPNFHKSNALKTMRKQPQLQGKLLAKGSWDYQLVDELVPQPGDIVLPKPRYSGFFNTPLDSILRSRGIRHLVFTGIATNVCVESTLRDGFFLEYFGVVLEDATHQAGPKFAQKAALFNIETFFGWVSDVETFCDALSPTSFAHIA | 0 |
15,142 | 80,979 | UN | 80,979 | P9WEQ2 | CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]>>[H][C@@]12CCC(C)=C(COP(=O)([O-])OP(=O)([O-])[O-])[C@@]1(C)CCCC2(C)C | null | CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>CC1=C(COP(=O)(O)OP(=O)(O)O)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1 | MDQLPAAELTNFISPSGPESRPVFHSICGIHDTANVQQKQTLDQNKVISAPLDYLLSFPGKDIRGQLISSFNEWLQIPEEKLSLIKRVVELLHTASLLIDDIQDSSQLRRGLPVAHNIFGVAQTINSANYAYFKAQSELHKIGDPRAVEIFTEELLRLHKGQGMDLYWRDSLTCPTEEEYLEMVSNKTGGLFRLAIKLMQLCSASEKDCVPLVEYLGIIFQIRDDYQNLQSEKYIENKGFGEDLTEGKFSFPIIHSIRSNSDSFQLINILKQKSEDTTVKLYAIKLLESTGSFEFCRQRIAQLTTQARSLLMEMGDPSQT... | 0 |
15,143 | 59,224 | UN | 59,224 | B0G172 | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]>>[H][C@]12[C@@]3(C)CCC[C@]1(C)CC(=C)[C@]1([H])CC[C@@H](C)[C@]([H])(CC3)[C@]21[H].O=P([O-])([O-])OP(=O)([O-])O | 4.2.3.201 | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>C=C1C[C@@]2(C)CCC[C@@]3(C)CC[C@@H]4[C@H]([C@@H]32)[C@H]1CC[C@H]4C.O=P(O)(O)OP(=O)(O)O | MTDNINKESTTTTTTIDHTTNLLIDKHVEYIVKLGSKKDSFEYWVTEHIRMNGMYWGLSSLYLLKSLDKLDKNEVIQWLLSCQKSNGGFGGNTSHDDHLLSTLSAVQILIQYDALDKIDINSVVDYVVKLQREDGSFVGDQWGEVDTRFSYAAIMCLSLLKSLDKINCEKAVEYILSCQNFDGGFGSIPGAESHAGQIFTCVGALSILNEINKIDIDKLGWWLSERQLPNGGLNGRPEKSSDVCYSWWVLSALSAIDRLHWIDNDKLKSYILKCQDNETGGIADKPGDIPDVFHTFFGICGLSLMGYFKDQIESIDPVYA... | 0 |
15,144 | 62,560 | UN | 62,560 | Q5TZ07 | [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 | MPSPKARSGSGRSGSVPCPGGNGRYEFISLNRTPPSPVPPQLLQRQGSDPTTARLRASESPVRRRGSGSSNSSTGGGGQQLPEEDCMRLNPSFFGIALSSLLAIDLWLSKRLGVCACEDSSWGSVRPLMKLIEVSGHGIPWLAGAAYCLYKSDSPAGQEVMLNLLMALVLDVVLVGVLKAVVRRRRPAHNRMDMFATFSVDSYSFPSGHATRAAMCARFLLNHLVLAAPLRVLVLLWATIVGFSRVLLGRHNVTDVAFGFFMGYWQYNLVEMLWLSPVMLQSAIGQLH | 0 |
15,145 | 65,772 | UN | 65,772 | P79202 | CC(C)C1=CC=C(NC(=O)N(C)C)C=C1.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.O=O.[H+].[H+]>>CNC(=O)NC1=CC=C(C(C)C)C=C1.[H]C([H])=O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H] | null | CC(C)c1ccc(NC(=O)N(C)C)cc1.O=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1>>C=O.CNC(=O)Nc1ccc(C(C)C)cc1.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1 | MLARGLPFRSALVKACPPLLNTGREGWGHHRVGTGEGAGISTRTPRPYSEIPSPGDNGWINLYHFWRKKGSQRIHFHHIENFQKYGPIYREKLGNLESVYIIHPEGVAHLFKFEGSYPQRYDIPPWLAYHRYYQKPIGVLFKKSGAWKKDRVVLNTEVMAPEAIKNFIPLLNPVSQDFVSLLHKRIKQQGSGKFVGDIKEDLFRFAFESITNVMFGERLGMLEDTVDTEAQKFIDAVYKMFHTSVPLLNLPPELYRLFRTKTWRDHVAAWDTIFNKAEKYTEIFYQDLRQKTEFRNYPGILYHLLKSEKMLLEDVKANIT... | 0 |
15,146 | 80,771 | UN | 80,771 | Q84UB4 | [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 | MEVVEVLHMNGGNGDSSYANNSLVQQKVILMTKPITEQAMIDLYSSLFPETLCIADLGCSLGANTFLVVSQLVKIVEKERKKHGFKSPEFYFHFNDLPGNDFNTLFQSLGAFQEDLRKHIGESFGPCFFSGVPGSFYTRLFPSKSLHFVYSSYSLMWLSQVPNGIENNKGNIYMARTSPLSVIKAYYKQYEIDFSNFLKYRSEELMKGGKMVLTLLGRESEDPTSKECCYIWELLAMALNKLVEEGLIKEEKVDAFNIPQYTPSPAEVKYIVEKEGSFTINRLETSRVHWNASNNEKNGGYNVSRCMRAVAEPLLVSHFD... | 0 |
15,147 | 76,543 | UN | 76,543 | Q94272 | 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 | MKSFVSVPQNSDFPIQNLPYGVFSTKADSSRHIGVAIGDQILNLAEIANLFDGPQLKAHQDVFKQSTLNAFMALPRPAWLEARARIQQLLSEDCAVLRDNAHLRSRALVAQSDATMHLPAQIGDYTDFYSSIHHATNVGIMFRGKENALMPNWKWLPVGYHGRASSIVVSGTDLKRPVGQTKAPDAEVPSFGPSKLMDFELEMAFFVGGPENELGTRVPIEKAEDRIFGVVLMNDWSARDIQAWEYVPLGPFLAKSFATTVSPWVVSIEALRPYFVENPVQDPVPPAYLHHDDPFTLDINLAVSIRPEGDAVDHIVCKTN... | 0 |
15,148 | 80,283 | UN | 80,283 | Q60991 | [H][C@]12CC[C@@]3(C)[C@]([H])([C@@H](C)C[C@@H](O)[C@@H]4OC4(C)C)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-].CC1=C(C)C=C2C(=C1)NC1=C(NC(=O)NC1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].O=O.O=O>>[H][C@]12CC[C@@]3(C)[C@]([H])([C@... | null | C[C@@H](C[C@@H](O)[C@@H]1OC1(C)C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[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.Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2.O=O.O=O>>CC1(C)O[C@H]1[C@H]1C[C@@H]([C@@H]2CC[C@]3(C)C4=CC[C@H... | MQGATTLDAASPGPLALLGLLFAATLLLSALFLLTRRTRRPREPPLIKGWLPYLGMALKFFKDPLTFLKTLQRQHGDTFTVFLVGKYITFVLNPFQYQYVTKNPKQLSFQKFSSRLSAKAFSVKKLLTDDDLNEDVHRAYLLLQGKPLDALLETMIQEVKELFESQLLKITDWNTERIFAFCGSLVFEITFATLYGKILAGNKKQIISELRDDFFKFDDMFPYLVSDIPIQLLRNEESMQKKIIKCLTSEKVAQMQGQSKIVQERQDLLKRYYRHDDPEIGAHHLGFLWASLANTIPAMFWAMYYILRHPEAMEALRDEI... | 0 |
15,149 | 79,287 | UN | 79,287 | E0TXE1 | [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 | MQEETFYSVRMRASMNGSHEDGGKHISGGERLIPFHEMKRTVNSLLEKGLSHSRGKPDFMQIQFEEVHEPIKTIQPLPVRTNEVSSPEEGQKLARLLLEREGVSREVIEKAYQQIISWSGVRGAVLFDIHSGKRIDQTKGKGVRVSRMDWPDANFEKWALRYHVPAHSRIKEALALASKVSRFPAAVAELCWSDDPDYITGYVAGKKMGYQRITALKEYGSEDGCRIFFIDGSEDVNTYIHDLEKQPILIEWEEDHDS | 0 |
15,150 | 62,564 | UN | 62,564 | E1XUJ2 | [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 | MRFTLKTTAIVSAAALLAGFGPPPRAAELPPGRLATTEDYFAQQAKQAVTPDVMAQLAYMNYIDFISPFYSRGCSFEAWELKHTPQRVIKYSIAFYAYGLASVALIDPKLRALAGHDLDIAVSKMKCKRVWGDWEEDGFGTDPIEKENIMYKGHLNLMYGLYQLVTGSRRYEAEHAHLTRIIHDEIAANPFAGIVCEPDNYFVQCNSVAYLSLWVYDRLHGTDYRAATRAWLDFIQKDLIDPERGAFYLSYHPESGAVKPWISAYTTAWTLAMVHGMDPAFSERYYPRFKQTFVEVYDEGRKARVRETAGTDDADGGVGL... | 0 |
15,151 | 80,251 | UN | 80,251 | Q9WZY4 | 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 | MDWKKYGYNTRALHAGYEPPEQATGSRAVPIYQTTSYVFRDSDHAARLFALEEPGFIYTRIGNPTVSVLEERIAALEEGVGALAVASGQAAITYAILNIAGPGDEIVSGSALYGGTYNLFRHTLYKKSGIIVKFVDETDPKNIEEAITEKTKAVYLETIGNPGLTVPDFEAIAEIAHRHGVPLIVDNTVAPYIFRPFEHGADIVVYSATKFIGGHGTSIGGLIVDSGKFDWTNGKFPELVEPDPSYHGVSYVETFKEAAYIAKCRTQLLRDLGSCMSPFNAFLFILGLETLSLRMKKHCENALKIVEFLKSHPAVSWVNY... | 0 |
15,152 | 79,295 | UN | 79,295 | Q8NV07 | [NH3+]CCCCCN(O)C(=O)CCC(=O)[O-].[NH3+]CCCCCN(O)C(=O)CCC(=O)[O-].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O>>[NH3+]CCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(=O)CCC(=O)[O-].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O.O=P([O-])([O-])OP(=O)([O-])O.[H+] | null | NCCCCCN(O)C(=O)CCC(=O)O.NCCCCCN(O)C(=O)CCC(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>NCCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(=O)CCC(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O | MYSIKMRSSNQDVHISGAETICEFDKIEQTVQRFYNKGFFHENGQPDFLNIKIQKIMEPIQQIKALQIIEDDKANLQHLTQECGVTEQALNQGMTYIKNETVYTGAIILSAISGKRLDSFGQRGIRATHFSFEDINNKGDLNERVTDALAIASCINAHPYVKGELCVSDDLTYTTGYFASAKIGYHRLFDIKPVNTRYGGRIIFVDDRIDLNHYISFLESTPKQVVYERV | 0 |
15,153 | 80,947 | UN | 80,947 | B1JE54 | *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 | MAFDLAARLAERRAADLYRQRPLLQSPQGPNVVVDGQPLLAFCSNDYLGLANHPEVIAAWQAGAERWGVGGGASHLVVGHSTPHHQVEEALAELTGRPRALLFSTGYMANLGAITALVGQGDTVLQDRLNHASLLDGGLLSGARFNRYLHNDAVSLANRLGKACGNTLVVTDGVFSMDGDLADLPALAEVARARGAWLMVDDAHGLGTLGAHGGGIVEHFGLGIDDVPVLIGTLGKACGTAGAFVAGSDDLIEALVQFARPYIYTTSQPPALACATLKSLELLRRETWRREHLAGLIRQFREGAVQIGLQLMDSPTPIQP... | 0 |
15,154 | 76,683 | UN | 76,683 | A8FD73 | 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)... | MNIHEYQGKEILRKYGVSVPNGKVAFTPDEAVKASEELESSVYVVKAQIHAGGRGKAGGVKIAKTKDEVKGFAEELLGKTLVTHQTGPEGREIKRLLIEEGCDIQKEYYVGLVLDRATSRIVLMASEEGGTEIEEVAEKTPEKIVKVVIDPAIGLQGYQAREVAFKINIPTKLVGQAVKFMTSLYNAFIEKDCSIAEINPLVVTGDGKVMALDAKLNFDSNALYRQKDILEYRDLDEEDPKEIEASKYDLSYISLDGNIGCMVNGAGLAMSTMDIIKHYGGDPANFLDVGGGATAEKVTEAFKIILSDQNVKGIFVNIFG... | 0 |
15,155 | 76,767 | UN | 76,767 | Q0CCY5 | CC1=CC2=C(C(=O)C3=C(C=C([O-])C=C3O)C2=O)C(O)=C1.C[S+](CC[C@H]([NH3+])C(=O)[O-])C[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1O>>COC1=CC2=C(C(=O)C3=C(O)C=C(C)C=C3C2=O)C(O)=C1.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CSCC[C@H]([NH3+])C(=O)[O-])[C@@H](O)[C@H]1O | null | C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O>>COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O | MERQPKSLSDAVQLLQTTEIISKCTQTIIAEWSNEAETFKKRASSGRAGAELVLPSHELFNAQRTITAAIGKLIELVSEPSVRILEIAGQYQESRALYIAVERRIPDILASQDNEGGMPVKELSSRTGIEYRKLSRILRYLCSMGTFRQVGPDVFANNTISACLVANEPLRAYVRLTGSEAFTASDRLPKTLLDPSTGPSYDVTRTAWQDAIGTTKPRWEWIEERVEPDKLLDSGYHYPGIPSLILEPQPPGEDGLVARPELEIMGLAMVGGGRVFGAAHVFDFPWASLDNALVVDVGGGVGGFALQLSKVYPDLRFVIQ... | 0 |
15,156 | 23,044 | UN | 23,044 | Q7TVJ6 | O=C([O-])[C@H](CC1=CC=C(O)C=C1)N(O)O.[H+]>>[H]/C(CC1=CC=C(O)C=C1)=N\O.O=C=O.[H]O[H] | null | O=C(O)[C@H](Cc1ccc(O)cc1)N(O)O>>O.O/N=C/Cc1ccc(O)cc1.O=C=O | MVRIAYLGPEGTFTEAALVRMVAAGLVPETGPDALQRMPVESAPAALAAVRDGGADYACVPIENSIDGSVLPTLDSLAIGVRLQVFAETTLDVTFSIVVKPGRNAADVRTLAAFPVAAAQVRQWLAAHLPAADLRPAYSNADAARQVADGLVDAAVTSPLAAARWGLAALADGVVDESNARTRFVLVGRPGPPPARTGADRTSAVLRIDNQPGALVAALAEFGIRGIDLTRIESRPTRTELGTYLFFVDCVGHIDDEAVAEALKAVHRRCADVRYLGSWPTGPAAGAQPPLVDEASRWLARLRAGKPEQTLVRPDDQGAQ... | 0 |
15,157 | 75,255 | UN | 75,255 | K9L4P7 | [H][C@@]1(C2=C(O)/C3=C(/C=C/2[O-])OC2=C(C=C(O)C(O)=C2)C3=O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.O=O>>[H][C@@]1(C2=C(O)/C3=C(/C=C/2[O-])OC2=C(C=C(O)C(O)=C2)C3=O)O[C@H](CO)[C@@H](O)C(=O)[C@H]1O.[H]OO[H] | 1.1.3.50 | O=O.O=c1c2cc(O)c(O)cc2oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12>>O=C1[C@@H](O)[C@H](c2c(O)cc3oc4cc(O)c(O)cc4c(=O)c3c2O)O[C@H](CO)[C@H]1O.OO | MKSTIITSILFSVATVQAYSPAEQIDVQSHLLSDPTKVEGKTYDYVIAGGGLTGLTVASKLSENPKIKVLVIEKGFYESNDGPIIEDPNAYGEIFGTSVDQNYLTVPLINNRTGEIKSGLGLGGSTLINGDSWTRPDKVQIDSWEKVFGMEGWNWDNVFQYMQKAERSRPPTAAQIEAGHFYDPACHGTDGTVHAGPRDNGKPWSPLMRALMNTVSAFGVPVQKDFHCGHPRGVSMIPNNLHENQIRADAAREWLLPNYQRDNLQILTGQKVGKVLFNQTASGPKAVGVNFGTNKAVNFNVYAKQEVLLAAGSAISPLIL... | 0 |
15,158 | 65,776 | UN | 65,776 | P9WJ93 | CC1=C(Cl)C=C(NC(=O)N(C)C)C=C1.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.O=O.[H+].[H+]>>CNC(=O)NC1=CC(Cl)=C(C)C=C1.[H]C([H])=O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H] | null | Cc1ccc(NC(=O)N(C)C)cc1Cl.O=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1>>C=O.CNC(=O)Nc1ccc(C)c(Cl)c1.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1 | MTEAIGDEPLGDHVLELQIAEVVDETDEARSLVFAVPDGSDDPEIPPRRLRYAPGQFLTLRVPSERTGSVARCYSLCSSPYTDDALAVTVKRTADGYASNWLCDHAQVGMRIHVLAPSGNFVPTTLDADFLLLAAGSGITPIMSICKSALAEGGGQVTLLYANRDDRSVIFGDALRELAAKYPDRLTVLHWLESLQGLPSASALAKLVAPYTDRPVFICGPGPFMQAARDALAALKVPAQQVHIEVFKSLESDPFAAVKVDDSGDEAPATAVVELDGQTHTVSWPRTAKLLDVLLAAGLDAPFSCREGHCGACACTLRAG... | 0 |
15,159 | 75,907 | UN | 75,907 | O02812 | [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 | MSQERPTFYRQELNKTIWEVPERYQNLSPVGSGAYGSVCAAFDTKTGLRVAVKKLSRPFQSIIHAKRTYRELRLLKHMKHENVIGLLDVFTPARSLEEFNDVYLVTHLMGADLNNIVKCQKLTDDHVQFLIYQILRGLKYIHSADIIHRDLKPSNLAVNEDCELKILDFGLARHTDDEMTGYVATRWYRAPEIMLNWMHYNQTVDIWSVGCIMAELLTGRTLFPGTDHIDQLKLILRLVGTPGADLLKKISSESARNYIQSLTQMPKMNFANVFIGANPLAVDLLEKMLVLDSDKRITAAQALAHAYFAQYHDPDDEPVA... | 0 |
15,160 | 49,440 | UN | 49,440 | B0MC58 | CC(C)CCC(=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)C[C@@H](O)C(=O)[O-]>>CC(C)C[C@@H](O)C(=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)CCC(=O)[O... | 2.8.3.24 | CC(C)CCC(=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(C)C[C@@H](O)C(=O)O>>CC(C)CCC(=O)O.CC(C)C[C@@H](O)C(=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 | MSFKEEYQKKLKTADEAVKVVKSGDWLEYGWCVTTPAALDKALAKRMPELENINIRGGIVMWPLEITKIDSPADHFTWNSWHMGGLERKWIKEGFSYYAPIRYSELPGYYRNYIDHVDVAMMQVAPMDEHGFFNFGPSASHLAAMLEKADCVIVEVNENMPRCLGGFEEGVHISKVDMIVEGENPAIAELGGGGAATDVDKAVAKLIVDQIPNGACLQLGIGGMPNAVGSMIAESDLKDLGVHTEMYVDAFVDIAKAGKITGARKNIDRYRQTYAFAAGTKKLYDYLNDNPECMSAPVNYTNDIARVSSIDNFISINNAV... | 0 |
15,161 | 13,961 | UN | 13,961 | Q9MUT3 | 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)... | MSTIDLIKNVTKREERPVYPFTAIVGQEEMKLALILNVIDPDIGGVMIMGDRGTGKSTTIRALVDLLPEIEVVTNDPFNSDPRDPDLMSDEVREKINNKQEVPTIKTKIKIVDLPLGATEDRVCGTIDIERALNEGVKAFEPGLLAKANRGILYVDEVNLLDDHLVDILLDSAASGWNTVEREGISVRHPAKFILVGSGNPEEGELRPQLLDRFGMHAEIRTVKDPDLRVKIVEERSSFDENPQVFRKAYEQSQEDVKSQIIQARKNLANVQMDRELRIKVSQICSELDVDGLRGDLVINRAAKALAAFEGRDKVLPKDI... | 1 |
15,162 | 23,044 | UN | 23,044 | Q53552 | O=C([O-])[C@H](CC1=CC=C(O)C=C1)N(O)O.[H+]>>[H]/C(CC1=CC=C(O)C=C1)=N\O.O=C=O.[H]O[H] | null | O=C(O)[C@H](Cc1ccc(O)cc1)N(O)O>>O.O/N=C/Cc1ccc(O)cc1.O=C=O | MNDMNAKKPALRVAIVGGGISGLALALSLCKHSHLNVQLFEAAPAFGEVGAGVSFGPNAVRAIVGLGLGQAYFQVADRTPQPWEDIWFEWRRGSDASYLGATIAGVGQSSVHRADFLDALVKHLPEGIAQFRKRATQIEQQGDELQVLFRDGTEYRCDLLIGRDGIKSALRSYVLEGQGQDHLEPRFSGTCAYRGMVDSLQLREAYRINGIDEHLVDVPQMYLGLYGHILTFPVRKGRIVNVVAFTSDRSQPEPTWPADAPWVREASQREMLDAFAGWGDARALLECIPAPTLWALHDLPELPGYVHGRVALIGDAAHAM... | 0 |
15,163 | 46,568 | UN | 46,568 | O24428 | *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 | MASMVAFRPEAFLCFSPPKTTRSTRSPRISMASTVGPSTKVEIPKKPFMPPREVHVQVTHSMPPQKIEIFKSLEDWAENNILVHLKPVEKCWQPQDFLPDPSSEGFHEEVKELRERSKEIPDGYYVCLVGDMITEEALPTYQTMLNTLDGVRDETGASLTSWAVWTRAWTAEENRHGDLLNKYLYLSGRVDMKQIEKTIQYLIGSGMDPRTENSPYLGFIYTSFQERATFISHGNTARHAKEHGDVKLAQICGTIASDEKRHETAYTKIVEKLFEIDPDGTVLSFADMMKKKISMPAHLMYDGQDDNLFEHFSAVAQRLG... | 0 |
15,164 | 79,431 | UN | 79,431 | P53817 | CCCCCCCCCCCCCCCC/C=C\OC[C@@H](O)COP(=O)([O-])OCC[NH3+].CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C>>CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](CO/C=C\CCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[NH3+].CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C | null | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C.CCCCCCCCCCCCCCCC/C=C\OC[C@@H](O)COP(=O)(O)OCCN>>CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](CO/C=C\CCCCCCCCCCCCCCCC)COP(=O)(O)OCCN.CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCC[N+](C)(C)C | MPIPEPKPGDLIEIFRPMYSHWAIYVGDGYVIHLAPPSEIPGAGAASIMSALTDKAIVKKELLRDVAGKDKYQVNNKHDKEYTPLPLNKIIQRAEELVGQEVLYRLTSENCEHFVNELRYGVPRSDQVRDAVKVATVTGVGLAALGLIGVMLSRNKKQKQ | 0 |
15,165 | 65,796 | UN | 65,796 | P30100 | 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 | MALRVTADVWLARPWQCLHRTRALGTTATLAPKTLKPFEAIPQYSRNKWLKMIQILREQGQENLHLEMHQAFQELGPIFRHSAGGAQIVSVMLPEDAEKLHQVESILPRRMHLEPWVAHRELRGLRRGVFLLNGAEWRFNRLKLNPNVLSPKAVQNFVPMVDEVARDFLEALKKKVRQNARGSLTMDVQQSLFNYTIEASNFALFGERLGLLGHDLNPGSLKFIHALHSMFKSTTQLLFLPRSLTRWTSTQVWKEHFDAWDVISEYANRCIWKVHQELRLGSSQTYSGIVAALITQGALPLDAIKANSMKLTAGSVDTTA... | 0 |
15,166 | 82,563 | UN | 82,563 | Q9H3Z7 | *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 | MCVICFVKALVRVFKIYLTASYTYPFRGWPVAFRWDDVRAVGRSSSHRALTCAAAAAGVWLLRDETLGGDALGRPPRGARSQAQCLLQQLRELPGQLASYALAHSLGRWLVYPGSVSLMTRALLPLLQQGQERLVERYHGRRAKLVACDGNEIDTMFMDRRQHPGSHVHGPRLVICCEGNAGFYEMGCLSAPLEAGYSVLGWNHPGFGSSTGVPFPQHDANAMDVVVEYALHRLHFPPAHLVVYGWSVGGFTATWATMTYPELGALVLDATFDDLVPLALKVMPHSWKGLVVRTVREHFNLNVAEQLCCYPGPVLLLRRT... | 0 |
15,167 | 69,537 | LR | 69,536 | Q65EY9 | 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 | MIYTCTMNTAVDLFVETDELLPDVVNRTKDEDYQPNGKGVNISFMLKRLGLDNTALGFTGGFTGRFIENELLNEKIVTDFVEVEGISRINIFINSTREFKIVNKGPLISEARKQELINKIRQIPPGRFLFISGSLPRGVPDDMYLSLSEIAAENKLKLILDISSPVLLDCLSYHPYLIKPNEQELAAFFSRKKALSEEEIIHCGKELLDRGAERVLISRGKDGALYLDRQRTLKATAAKGKVVNTACAGDAMLAVFVGKQELGCSVPEALRHASAAGSLTAFSKGLGDVSKLDQTASQIQITHL | 1 |
15,168 | 78,655 | UN | 78,655 | U3KYL2 | 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 | MSTALNSEHETVRPLASFQPSTWGDLFISYSEDSQLKEVYGKEHECLKQQVKTMLLDVTNYRISEKIAFINTLERLGVSHEFENEIEGLLHQMFDAHSKFQDGIQHFDLFTLGIYFRILRQHGYRIYCDVFNKLKDSNNEFKKELKEDAIGLLSLYEATQVRAHAEEILDEALIFTKAQLESIAATSSLSPFVEKQITHALVQALHKGIPRVESRHFISVYEEDPDKNDLLLRFSKIDYNIVQMLHKQELCHISKWWRDSELETKLTYARNRVAECFLWTLCVYHEPKYSPARLLLGKLINIISCTDDTYDAYGTLEEVQ... | 0 |
15,169 | 75,003 | UN | 75,003 | Q9H6R3 | 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)... | MKPSWLQCRKVTSAGGLGGPLPGSSPARGAGAALRALVVPGPRGGLGGRGCRALSSGSGSEYKTHFAASVTDPERFWGKAAEQISWYKPWTKTLENKHSPSTRWFVEGMLNICYNAVDRHIENGKGDKIAIIYDSPVTNTKATFTYKEVLEQVSKLAGVLVKHGIKKGDTVVIYMPMIPQAMYTMLACARIGAIHSLIFGGFASKELSSRIDHVKPKVVVTASFGIEPGRRVEYVPLVEEALKIGQHKPDKILIYNRPNMEAVPLAPGRDLDWDEEMAKAQSHDCVPVLSEHPLYILYTSGTTGLPKGVIRPTGGYAVML... | 0 |
15,170 | 69,312 | UN | 69,312 | P15589 | 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 | MLWPCLLALLLSQLNFLCAARPGPGPNFLLIMADDLGIGDLGCYGNRTLRTPHIDRLALEGVKLTQHLAAAPLCTPSRAAFLTGRYPVRSGMASHGRLGVFLFSASSGGLPPNEVTFAKLLKGQGYTTGLVGKWHLGLSCQAASDFCHHPGRHGFDRFLGTPTTNLRDCKPGGGTVFGSAQQVFVVLPMNILGAVLLAMALARWAGLARPPGWVFGVTVAAMAAVGGAYVAFLYHFRPANCFLMADFTITQQPTDYKGLTQRLASEAGDFLRRNRDTPFLLFLSFMHVHTAHFANPEFAGQSLHGAYGDAVEEMDWAVGQ... | 0 |
15,171 | 18,601 | UN | 18,601 | Q96X22 | 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 | MSPSAITESPRNSVVDHTSGLQVDSLAVQGPFPSFHGYDHVTWWVGNAKQAASYYNTLFGMKIIAYRGLETGSRYFASYLVGKEDVRFVFTSPIRSHVHLPEDEPISDEDRALLKEMHAHLEKHGDAVKDVCFEVDNVQGVYERAVQQGAVSIAPPKTLSDKEHGSVTMAVIQTYGDTTHTLLSRDNFRGTFLPGFRDVNRQPAAYSALAPVPLQRIDHCVGNQDWDDMRAACDFYERCLSFHRFWSVDDNQISTDFSALNSIVMASPNNVVKMPINEPAKGKKRSQIEEYVTFNSGAGVQHIALLTSDIITTVEAMRSR... | 0 |
15,172 | 80,311 | UN | 80,311 | I7CT85 | [H][C@]12CC[C@]3(C)C(=CC[C@@]3([H])[C@@H]3C[C@H]([C@@H]4OC4(C)C)O[C@H]3OC(C)=O)[C@]1(C)[C@H](O)C[C@@]1([H])C(C)(C)C(=O)CC[C@]21C.CC1=C(C)C=C2C(=C1)NC1=C(NC(=O)NC1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].O=O>>[H][C@]12CC[C@]3(C)C(=CC[C@@]3([H])[C@@H]3C[C@H]([C@@H]4OC4(C)C)O[C@H]3OC(C)=O)[C@]1(C)[C@H](O)C[C@@]1([H... | null | CC(=O)O[C@@H]1O[C@@H]([C@@H]2OC2(C)C)C[C@H]1[C@@H]1CC=C2[C@]3(C)[C@H](O)C[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]21C.Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2.O=O>>CC(=O)O[C@@H]1O[C@@H]([C@@H]2OC2(C)C)C[C@H]1[C@@H]1CC=C2[C@]3(C)[C@H](O)C[C@H]4C(C)(C)OC(=O)CC[C@]4(C)[C@H]3CC[C@]21C.Cc1... | MDLFISSQLLLLLVFCLFLFWNFKPSSQNKLPPGKTGWPIIGETLEFISCGQKGNPEKFVTQRMNKYSPDVFTTSLAGEKMVVFCGASGNKFIFSNENKLVVSWWPPAISKILTATIPSVEKSKALRSLIVEFLKPEALHKFISVMDRTTRQHFEDKWNGSTEVKAFAMSESLTFELACWLLFSINDPVQVQKLSHLFEKVKAGLLSLPLNFPGTAFNRGIKAANLIRKELSVVIKQRRSDKLQTRKDLLSHVMLSNGEGEKFFSEMDIADVVLNLLIASHDTTSSAMGSVVYFLADHPHIYAKVLTEQMEIAKSKGAEE... | 0 |
15,173 | 27,630 | UN | 27,630 | Q9WYQ4 | 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 | MITTTIFPGRYVQGAGAINILEEELSRFGERAFVVIDDFVDKNVLGENFFSSFTKVRVNKQIFGGECSDEEIERLSGLVEEETDVVVGIGGGKTLDTAKAVAYKLKKPVVIVPTIASTDAPCSALSVIYTPNGEFKRYLFLPRNPDVVLVDTEIVAKAPARFLVAGMGDALATWFEAESCKQKYAPNMTGRLGSMTAYALARLCYETLLEYGVLAKRSVEEKSVTPALEKIVEANTLLSGLGFESGGLAAAHAIHNGLTVLENTHKYLHGEKVAIGVLASLFLTDKPRKMIEEVYSFCEEVGLPTTLAEIGLDGVSDEDL... | 0 |
15,174 | 69,336 | UN | 69,336 | P84887 | */C=C/SO>>*C/C=[S+]\[O-] | 5.3.99.12 | */C=C/SO>>*C/C=[S+]\[O-] | MRWLDKFGESLSRSVAHKTSRRSVLRSVGKLMVGSAFVLPVLPVARAAGGGGSSSGADHISLNPDLANEDEVNSCDYWRHCAVDGFLCSCCGGTTTTCPPGSTPSPISWIGTCHNPHDGKDYLISYHDCCGKTACGRCQCNTQTRERPGYEFFLHNDVNWCMANENSTFHCTTSVLVGLAKN | 0 |
15,175 | 80,635 | UN | 80,635 | P37852 | [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 | KRLLQDLNIKINQVIPEGGSVQDLQNLPKAWFNLVPYREVGLMTAIYLEKNFGMPYISTTPMGIVDIAECIRQIQKHVNNLALNQTFNYESYIDQQTRFV | 0 |
15,176 | 23,044 | UN | 23,044 | Q9I1L4 | O=C([O-])[C@H](CC1=CC=C(O)C=C1)N(O)O.[H+]>>[H]/C(CC1=CC=C(O)C=C1)=N\O.O=C=O.[H]O[H] | null | O=C(O)[C@H](Cc1ccc(O)cc1)N(O)O>>O.O/N=C/Cc1ccc(O)cc1.O=C=O | MNAYLSDQPVRLSPLRDEQGNQPRFGLLLEPGRPGMHVGELPAQWLKGLARSHHLLLLRGFAAFADAESLTRYCHDFGEVMLWPFGAVLELVEQEGAEDHIFANNYVPLHWDGMYLETVPEFQVFHCVDAPGDSDGGRTTFSSTPAALQLADSSELELWRRASGRYQRSAAHYSSRSAAPIVERHPRREFPILRFCEPPVEGDASFINPSEFHYDGIAPEQRGELLASLRRCLYHPQAHYAHRWRSDDLVIADNLTLLHGREAFAHRAPRHLRRVHIHAEPALRNPHLQRD | 0 |
15,177 | 80,759 | UN | 80,759 | Q9L2J6 | O=C(OCCO)C1=CC=C(C(=O)OCCO)C=C1.[H]O[H]>>O=C([O-])C1=CC=C(C(=O)OCCO)C=C1.OCCO.[H+] | null | O.O=C(OCCO)c1ccc(C(=O)OCCO)cc1>>O=C(O)c1ccc(C(=O)OCCO)cc1.OCCO | MQQNPHTHAAPGAARPVLRGVRRRLAAVTAAVAAVLVLGTLTGPGAQAADNPYERGPAPTESSIEALRGPYSVADTSVSSLAVTGFGGGTIYYPTSTSDGTFGAVVIAPGFTAYQSSIAWLGPRLASQGFVVFTIDTNTTLDQPDSRGRQLLAALDYLTGRSSVRGRIDSGRLGVMGHSMGGGGTLEAAKSRPSLQAAIPLTPWNLDKSWPEVSTPTLVVGADGDTIAPVASHAEPFYSGLPSSTDRAYLELNNATHFSPNTSNTTIAKYSISWLKRFIDDDTRYEQFLCPLPRPSLTIEEYRGNCPHGS | 1 |
15,178 | 80,959 | UN | 80,959 | Q7VRD6 | 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 | MAVKISLVDLAQNIGAELHGDKNILITHVSSIKNAQVGHITFLKNSRFREQLKSCAASAVILSQDNLSFCRVSALVVKNPYLAYVKVAQLLDSSPKLNANIKSQSVIHSNSILGKDVGIGYNVIIESGVIISDNVKIESGCIIGKNVKIGIGTYLWSNVTVYHGVEIGEYCIIQSGSIIGSDGFGYIKNDGVWIKIPQLGKVSIGNNVEIGSCTTIDRGTLDDTCIGDGVIIDNQCQIAHNVAIGSHTAIAGGVIIAGSVVIGKSCMIGGASVINGHIRICDKVTITGMSMVMKSITTSGIYSSGIPVQPNFAWRRTAAL... | 0 |
15,179 | 80,499 | UN | 80,499 | P60495 | [H][C@@]1(C(=O)[O-])CC[NH2+]1.[H]O[H]>>[NH3+]CCC(O)C(=O)[O-] | null | O.O=C(O)[C@@H]1CCN1>>NCCC(O)C(=O)O | MTVRYQIEQLGDSAMMIRFGEEINEQVNGIVHAAAAYIEEQPFPGFIECIPAFTSLTVFYDMYEVYKHLPQGISSPFESVKRDVEERLAEIAEDYEVNRRIVEIPVCYGGEFGPDLEEVAKINQLSPEEVIDIHTNGEYVVYMLGFAPGFPFLGGMSKRIAAPRKSSPRPSIPAGSVGIAGLQTGVYPISTPGGWQLIGKTPLALFRPQENPPTLLRAGDIVKFVRISEKDYHAYKEESN | 0 |
15,180 | 13,961 | UN | 13,961 | Q5XF33 | 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)... | MASLLGRSPSSILTCPRISSPSSTSSMSHLCFGPEKLSGRIQFNPKKNRSRYHVSVMNVATEINSVEQAKKIDSKESARPVYPFAAIVGQDEMKLCLLLNVIDPKIGGVMIMGDRGTGKSTTVRSLVDLLPEITVVSGDPYNSDPRDPECMGKEVREKVQKGEELSVIETKINMVDLPLGATEDRVCGTIDIEKALTEGVKAFEPGLLAKANRGILYVDEVNLLDDHLVDVLLDSAASGWNTVEREGISISHPARFILIGSGNPEEGELRPQLLDRFGMHAQVGTVRDAELRVKIVEERARFDSNPKEFRETYQEEQLKL... | 1 |
15,181 | 46,568 | UN | 46,568 | Q64408 | *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 | MAFRLKSDVRLAGSWLCLRGARALGTRAVTASKASVLPFEVIPQHQGNKRQRVLQFWKEQNHDDLHLEMHQTFQELGPIFRCDVGSTRIVAVMLPEDCARLHQAESPYPHRMHLEPWMAYREHRRQNLGVFLLNGPEWLSNRRWLNPNVLSPKAVQNLLPMVDTVARDFSEALKQKVLQSAQGSLTMDMQPDIHKYTVEVSNFALFGERLGLFGCNPSSQSLKFIHALEAVFKTTTQLMFLPRSLSRWMRSQAWKEHFEAWDYISEYAENRIQKKYEELARGCSQYNSIVANLMLQGNLPLRAMKANIMDLVAGSVDTTA... | 0 |
15,182 | 79,055 | UN | 79,055 | A0A829NF98 | 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 | MRLLEPIKVGKIELKNRVMFPPMTTGYEGRDGTIVEQSFNFYKRLAEGGVSYIVLGDVAPVNTISPTPKLFHDGQIEAFRKLADAVHEFDCKLGIQIFHPEYDVEALAELFRKGDMEGGRAKMRHDMVHFIQEVTEEQLNSILDKIGECVKRAQSAGVDIIEVHGDRLIGSFCSTLINRRTDSYGGSFENRIRFALRVVDKIREVAPDICIDYKLPVVTENPLRGKGGLMINEAVEFAKILERSGVDMIHVGQANHTGNMNDTIPAMGTQPYCFMSKYTKQIKEAVSIPVSSVGRIVTPENAEALIENGVCDIVGLGRSL... | 1 |
15,183 | 80,979 | UN | 80,979 | Q2UEK4 | CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]>>[H][C@@]12CCC(C)=C(COP(=O)([O-])OP(=O)([O-])[O-])[C@@]1(C)CCCC2(C)C | null | CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>CC1=C(COP(=O)(O)OP(=O)(O)O)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1 | MTKINPYKGILVELKDIVFTSSSDQIKLPINTFKSILCCGATAQYQCGKINRAQYYSRLARDFALSLADVTALFDTVQATIRPEESFLAFLAELKSRFGEQLKLYAVANMSREDYAMLKSLPIDWSLFDGVFLSADLGMRKPELRFFRHVLESISMKPEDTILVDNDTDNILCALSMGLKGILFGSTSVPQALTNLLEYDHISRAEQFLRSHAKSLHSVTHTGVTIRENFAQLLILEATGDIDLVELEYHPTTWNYFIGTQSSQLLLHKHNADRMTTMTSCWLVSAFLVVS | 1 |
15,184 | 78,771 | UN | 78,771 | A0A0M2H8P8 | O=C1C=C(C2=CC(O)=C(O)C=C2)OC2=C1C(O)=C([C@@H]1O[C@H](CO)[C@@H](O)C(=O)[C@H]1O)C([O-])=C2>>O=C1C(O)=CO[C@H](CO)[C@H]1O.O=C1C=C(C2=CC=C(O)C(O)=C2)OC2=CC([O-])=CC(O)=C12 | null | O=C1[C@@H](O)[C@H](c2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)O[C@H](CO)[C@H]1O>>O=C1C(O)=CO[C@H](CO)[C@H]1O.O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | MTALGTPIQGVTLYSFTRAFHGREYDLEGLIRKTAADGFGPGLEIIGFSSFRGFPAIDDAYAGWFRDLIDEVGLVTTSLAVNADIGIHRDRLLNQDELIEYMTLQIKAAAKLGFPIARVQISIEPDSMEALAPIAEAHGVTLALEVHADQYASHPRILALRDRYEKVGSPFLGFTMDWGATVSGFAPSLIEAYRRRGASEELLGQVVDLWNTYYEQGPPADQADHGQRFGSFIGLAARHGRPDLGIDFGINGTGLFGPARVDDWRTIAPWIKHVHGKFFGIDENGEEPSVPVRDLVKLLVENGYNGAISSEYEGWHWNYW... | 1 |
15,185 | 18,601 | UN | 18,601 | Q60GU1 | 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 | MQGKVALEEHFAIPETLQDSAGFVPGDYWKELQHRLLDIQDTRLKLMDAHGIETMILSLNAPAVQAIPDRRKAIEIARRANDVLAEECAKRPDRFLAFAALPLQDPDAATEELQRCVNDLGFVGALVNGFSQEGDGQTPLYYDLPQYRPFWGEVEKLDVPFYLHPRNPLPQDSRIYDGHPWLLGPTWAFAQETAVHALRLMASGLFDEHPRLNIILGHMGEGLPYMMWRIDHRNAWVKLPPRYPAKRRFMDYFNENFHITTSGNFRTQTLIDAILEIGADRILFSTDWPFENIDHASDWFNATSIAEADRVKIGRTNARR... | 0 |
15,186 | 80,871 | UN | 80,871 | Q4WLD1 | 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(O)CC[C@]2(C)[C@@]([H])(CC/C(C)=C/CC3=C(O)C=C(C)OC3=O)C(=C)CC[C@@]2([H])C1(C)C | 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]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@H]1CC/C(C)=C/Cc1c(O)cc(C)oc1=O | MRVLIIGGSIAGLTLAHCLEKAKIDYVLLEKKEEIAPQEGASIGILPNGGRIMEQLGLYHQIEQLIEPLARAHVTYPDGFHFTSQYPALLQQRFGYPLAFLDRQKLLQILAAGPVQSGRVKLGHQVVNIESTPDGVTVRTSHGHVYQGDLVVGADGVHSRVRAEMWRLATASQGEIFRSEYNKLTIDYACIFGISSPVDQLEPGEQITCYNDGWSILSVIGQNGRVFWFLFIKLDKESVYDGSRKNGPRFSPADARAHCERLAHEPVWNGVKFGHVWAQCEVFQMTPLEEGLFSKWYWRNIVCIGDSMHKFAPHIGQGAN... | 0 |
15,187 | 65,776 | UN | 65,776 | A0A076FFM5 | CC1=C(Cl)C=C(NC(=O)N(C)C)C=C1.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.O=O.[H+].[H+]>>CNC(=O)NC1=CC(Cl)=C(C)C=C1.[H]C([H])=O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H] | null | Cc1ccc(NC(=O)N(C)C)cc1Cl.O=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1>>C=O.CNC(=O)Nc1ccc(C)c(Cl)c1.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1 | MPFPMEVLQASSLSFPLLRRHSRNNLINKFRNPTLPRIDIPRQNIDLKTFAATTPTVACPPSDPEIIPEKKEDKFDWYENWYPVATVCDLDKRRPHGRKVIGIDVVVWWDRKENAWKVFDDTCPHRLAPLSEGRIDQWGRLQCVYHGWCFDGVGACKFIPQAPHDGPPVETSKKACVKGVYPSCVRNGIVWFWPNSDPKYKDIYLTNKPHYIPELDDPSFTCTTITREVPYGYEILAENLMDPSHVPYAHYGILELEKVKESSKRDREGGHEMEISVGTIDVNGFSAKHVSADYYFVPPYVYYGRITPNAATKTKDATLP... | 0 |
15,188 | 80,867 | UN | 80,867 | A4DA41 | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC1=C(O)C=C(C)OC1=O.[H]*[H].O=O>>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]O[H] | null | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/Cc1c(O)cc(C)oc1=O.O=O>>C/C(=C\CC/C(C)=C/Cc1c(O)cc(C)oc1=O)CC/C=C(\C)CC[C@@H]1OC1(C)C.O | MTAKPPFKVIIVGGSIAGLTLAHCLSKAGIDYIVLEKRKHIAPQEGASIGILPHGGRILEQLGLFYLVEEQIEPLHTAHQYFPDGFAHTTKAPQVIYERFGLPLAFLERRRMLRALYDTLPDSSQVLVNKAVTSVEREVSDLMRVTTYDGSVYRGNLVVGADGVHSRVRAEMWRLATSQSPGVFPEHEMSAMAVEYACIFGISSSVPKLQPGEQVASFNNGRSYLTFPGKNGRVFWFLLLKLDRKYSYSNAPRFSSTDAEKRAERFADDHIWAGVNFRDLWKSKEVFSFVNLEEYLFQQWHWERIVCIGDSMHKMTPNTG... | 1 |
15,189 | 76,519 | UN | 76,519 | B2K5K7 | *N[C@@H](CCCCNC(=O)CCCC[C@@H]1CCSS1)C(*)=O.[H]O[H]>>*N[C@@H](CCCC[NH3+])C(*)=O.O=C([O-])CCCC[C@@H]1CCSS1 | 3.5.1.138 | *N[C@@H](CCCCNC(=O)CCCC[C@@H]1CCSS1)C(*)=O.O>>*N[C@@H](CCCCN)C(*)=O.O=C(O)CCCC[C@@H]1CCSS1 | MSSLRLLISDSYDPWFNLAVEECIFRQMSPDQRVLFLWRNADTVVIGRAQNPWKECNTRRMEQDGVKLARRSSGGGAVFHDLGNTCFTFMAGKPGYDKTISTQIILNALASLGIQATASGRNDLVVINGEDERKVSGSAYKETKDRGFHHGTLLLNADLSRLADYLNPDPKKLQAKGITSVRSRVTNLVELLPGIDHEKIRTAIEQAFFAYYDEQVSAEVISPQSLPNLPGFTEQFAKQSSWEWNFGQAPAFSHVVDTRFTWGGIELHFDVLHGAIDRCQIFTDSLNPTPLEALAQRLQGAAYRPDAIDKICQHWIDDFP... | 0 |
15,190 | 59,224 | UN | 59,224 | G1DGI7 | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]>>[H][C@]12[C@@]3(C)CCC[C@]1(C)CC(=C)[C@]1([H])CC[C@@H](C)[C@]([H])(CC3)[C@]21[H].O=P([O-])([O-])OP(=O)([O-])O | 4.2.3.201 | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>C=C1C[C@@]2(C)CCC[C@@]3(C)CC[C@@H]4[C@H]([C@@H]32)[C@H]1CC[C@H]4C.O=P(O)(O)OP(=O)(O)O | MIEEMRKLLATLDDGEISPSAYDTAWVARIPSQSNATCPEFPETLEWIAHNQLPDGSWGDRNHFQIYDRVLSTVSCLVALKTWNLGHDNINKGERFLKQNIYKLTKDKGDLLCGFELIFMTMLEEAKQKGLDIPIDIPALKILQGYRQKKLQKIPLEMVHSIPTTILYSLEGLQDHINWEKILQFIGTDGSFLSSPSATACVYMHTKDPRCLEYLKGVVKKVKNSVPCQYAIDLFERLWIVDTLERLGIDRYFQPEIKNILDYVYKYWSDKKGIGWGRESYLKDIDDTSMGFRLLRLHGYKVTPDVFLNFMSSEDKFFCF... | 0 |
15,191 | 79,263 | UN | 79,263 | Q84UB5 | 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 | MEVVEVLHMNGGNGDSSYANNSLVQQKVILMTKPITEQAMIDLYSSLFPETLCIADLGCSLGANTFLVVSQLVKIVEKERKKHGFKSPEFYFHFNDLPGNDFNTLFQSLGAFQEDLRKHIGESFGPCFFSGVPGSFYTRLFPSKSLHFVYSSYSLMWLSQVPNGIENNKGNIYMARTSPLSVIKAYYKQYEIDFSNFLKYRSEELMKGGKMVLTLLGRESEDPTSKECCYIWELLAMALNKLVEEGLIKEEKVDAFNIPQYTPSPAEVKYIVEKEGSFTINRLETSRVHWNASNNEKNGGYNVSRCMRAVAEPLLVSHFD... | 0 |
15,193 | 80,295 | UN | 80,295 | A0A0B4KZX8 | [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 | MWVVGLIGVAVVTILITQYVYKWRNPKTVGVLPPGSMGLPLIGETLQLLSRNPSLDLHPFIKSRIQRYGQIFATNIVGRPIIVTADPQLNNYLFQQEGRAVELWYLDSFQKLFNLEGANRPNAVGHIHKYVRSVYLSLFGVESLKTKLLADIEKTVRKNLIGGTTKGTFDAKHASANMVAVFAAKYLFGHDYEKSKEDVGSIIDNFVQGLLAFPLNVPGTKFHKCMKDKKRLESMITNKLKERIADPNSGQGDFLDQAVKDLNSEFFITETFIVSVTMGALFATVESVSTAIGLAFKFFAEHPWVLDDLKAEHEAVLSKR... | 0 |
15,194 | 81,079 | UN | 81,079 | Q9GZZ1 | [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... | MKGSRIELGDVTPHNIKQLKRLNQVIFPVSYNDKFYKDVLEVGELAKLAYFNDIAVGAVCCRVDHSQNQKRLYIMTLGCLAPYRRLGIGTKMLNHVLNICEKDGTFDNIYLHVQISNESAIDFYRKFGFEIIETKKNYYKRIEPADAHVLQKNLKVPSGQNADVQKTDN | 0 |
15,195 | 65,772 | UN | 65,772 | Q9FCA6 | CC(C)C1=CC=C(NC(=O)N(C)C)C=C1.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.O=O.[H+].[H+]>>CNC(=O)NC1=CC=C(C(C)C)C=C1.[H]C([H])=O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H] | null | CC(C)c1ccc(NC(=O)N(C)C)cc1.O=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1>>C=O.CNC(=O)Nc1ccc(C(C)C)cc1.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1 | MTEETISQAVPPVRDWPAVDLPGSDFDPVLTELMREGPVTRISLPNGEGWAWLVTRHDDVRLVTNDPRFGREAVMDRQVTRLAPHFIPARGAVGFLDPPDHTRLRRSVAAAFTARGVERVRERSRGMLDELVDAMLRAGPPADLTEAVLSPFPIAVICELMGVPATDRHSMHTWTQLILSSSHGAEVSERAKNEMNAYFSDLIGLRSDSAGEDVTSLLGAAVGRDEITLSEAVGLAVLLQIGGEAVTNNSGQMFHLLLSRPELAERLRSEPEIRPRAIDELLRWIPHRNAVGLSRIALEDVEIKGVRIRAGDAVYVSYLA... | 0 |
15,196 | 65,780 | UN | 65,780 | P30099 | 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 | MGACDNDFIELHSRVTADVWLARPWQCLHRTRALGTTATLAPKTLKPFEAIPQYSRNKWLKMIQILREQGQENLHLEMHQAFQELGPIFRHSAGGAQIVSVMLPEDAEKLHQVESILPRRMHLEPWVAHRELRGLRRGVFLLNGAEWRFNRLKLNPNVLSPKAVQNFVPMVDEVARDFLEALKKKVRQNARGSLTMDVQQSLFNYTIEASNFALFGERLGLLGHDLNPGSLKFIHALHSMFKSTTQLLFLPRSLTRWTSTQVWKEHFDAWDVISEYANRCIWKVHQELRLGSSQTYSGIVAALITQGALPLDAIKANSME... | 0 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.