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 |
|---|---|---|---|---|---|---|---|---|---|
14,687 | 23,044 | UN | 23,044 | D3U716 | 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 | MAATTTLRSPKIPHPPPESTPSNLSYLSQISLTPVPKRRRFISIYACSNAESNSQFGSEIKKSQAIELNKVSDEHPYEFNSKDSPNPLPRPLTSADLSNMATEGSRLRVAYQGVRGAYSESAAEKAYPNCEAVPCEQFDTAFEAVERWLVDRAVLPIENSLGGSIHRNYDLLLRHRLHIVGEVKLAIRHCLLANNGVKIEDLKRVLSHPQALAQCENNLTKLGLVREAVDDTAGAAKYIAFQQLKDAGAVASLAAARIYGLNVLAQDIQDDSDNVTRFLMLAREPIIPGTDKPFKTSVVFSLDEGPGVLFKALAVFAMRN... | 0 |
14,688 | 78,783 | UN | 78,783 | P14726 | 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 | MAPPPPHIAVVAFPFSSHAAVLFSFARALAAAAPAGTSLSFLTTADNAAQLRKAGALPGNLRFVEVPDGVPPGETSCLSPPRRMDLFMAAAEAGGVRVGLEAACASAGGARVSCVVGDAFVWTADAASAAGAPWVAVWTAASCALLAHLRTDALRRDVGDQAASRADELLVAHAGLGGYRVRDLPDGVVSGDFNYVISLLVHRQAQRLPKAATAVALNTFPGLDPPDLIAALAAELPNCLPLGPYHLLPGAEPTADTNEAPADPHGCLAWLDRRPARSVAYVSFGTNATARPDELQELAAGLEASGAPFLWSLRGVVAAA... | 0 |
14,689 | 80,883 | UN | 80,883 | Q6E593 | [H][C@@]1(CC/C(C)=C/CC/C(C)=C/CC2=C(O)C=C(C)OC2=O)C(=C)CC[C@H](O)C1(C)C.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-]>>C=C1CC[C@H](OC(C)=O)C(C)(C)[C@@H]1CC/C(C)=C/CC/C(C)=C/CC1=C(O)C=C(C)OC1=O.CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@... | null | C=C1CC[C@H](O)C(C)(C)[C@@H]1CC/C(C)=C/CC/C(C)=C/Cc1c(O)cc(C)oc1=O.CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>C=C1CC[C@H](OC(C)=O)C(C)(C)[C@@H]1CC/C(C)=C/CC/C(C)=C/Cc1c(O)cc(C)oc1=O.CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O... | MDSKQSSELVFTVRRQEPELIAPAKPTPRETKFLSDIDDQEGLRFQIPVINFYRKDSSMGGKDPVEVIKKAIAETLVFYYPFAGRLREGNDRKLMVDCTGEGVMFVEANADVTLEEFGDELQPPFPCLEELLYDVPGSAGVLHCPLLLIQVTRLRCGGFIFALRLNHTMSDAPGLVQFMTAVGEMARGATAPSTLPVWCRELLNARNPPQVTCTHHEYEEVPDTKGTLIPLDDMVHRSFFFGPTEVSALRRFVPPHLHNCSTFEVLTAALWRCRTISIKPDPEEEVRVLCIVNARSRFNPQLPSGYYGNAFAFPVAVTTA... | 0 |
14,690 | 65,796 | UN | 65,796 | Q5S3I3 | 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 | MTFVRNAWYVAALPEELSEKPLGRTILDTPLALYRQPDGVVAALLDICPHRFAPLSDGILVNGHLQCPYHGLEFDGGGQCVHNPHGNGARPASLNVRSFPVVERDALIWIWPGDPALADPGAIPDFGCRVDPAYRTVGGYGHVDCNYKLLVDNLMDLGHAQYVHRANAQTDAFDRLEREVIVGDGEIQALMKIPGGTPSVLMAKFLRGANTPVDAWNDIRWNKVSAMLNFIAVAPEGTPKEQSIHSRGTHILTPETEASCHYFFGSSRNFGIDDPEMDGVLRSWQAQALVKEDKVVVEAIERRRAYVEANGIRPAMLSCD... | 0 |
14,691 | 79,231 | UN | 79,231 | D4AK48 | [H][C@@]12C3=CNC4=C3C(=CC=C4)C(C)(C)[C@@]1([H])CC[C@](C)(C=C)[C@@H]2[N+]#[C-].CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-].[H+]>>[H][C@@]12C3=C(C(C)(C)C=C)NC4=CC=CC(=C43)C(C)(C)[C@@]1([H])CC[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]2CC[C@]1(C)C=C>>C#[N+][C@@H]1[C@@H]2c3c(C(C)(C)C=C)[nH]c4cccc(c34)C(C)(C)[C@H]2CC[C@]1(C)C=C.O=P(O)(O)OP(=O)(O)O | MGSIEIPNCSGSIVYKTISDFIDFPNHEQKLWWHSTAPMFAEMLRVAGYDLHSQYKILGIFLNHVIPFLGVYPTRINNRWLSILTRYGTPFELSLNCSQSLVRYTYEPINSATGTVKDPFNTHSIWDALDRLMPLQKGIDLEFFKHLKQDLTVDDQDSAYLLENNLVGGQIRTQNKLALDLKGGNFVLKTYIYPALKALATGKSIKTLMFDSVYRLCRQNPSLEAPLRALEEYVDSKGPNSTASPRLLSCDLIDPSKSRVKIYILELNVTLEAMEDLWTMGGRLNDASTLAGLEMLRELWDLIKLPPGMREYPEPFLQLG... | 0 |
14,692 | 78,979 | UN | 78,979 | P20133 | 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 | MSGSLTLLKEKHIRYIESLDTKKHNFEYWLTEHLRLNGIYWGLTALCVLDSPETFVKEEVISFVLSCWDDKYGAFAPFPRHDAHLLTTLSAVQILATYDALDVLGKDRKVRLISFIRGNQLEDGSFQGDRFGEVDTRFVYTALSALSILGELTSEVVDPAVDFVLKCYNFDGGFGLCPNAESHAAQAFTCLGALAIANKLDMLSDDQLEEIGWWLCERQLPEGGLNGRPSKLPDVCYSWWVLSSLAIIGRLDWINYEKLTEFILKCQDEKKGGISDRPENEVDVFHTVFGVAGLSLMGYDNLVPIDPIYCMPKSVTSKFK... | 0 |
14,693 | 76,387 | UN | 76,387 | B9M374 | [NH3+][C@@H](CCCCNO)C(=O)[O-].[NH3+][C@@H](CCC(=O)[O-])C(=O)[O-].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O>>[NH3+][C@@H](CCCCNN[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O.O=P([O-])([O-])OP(=O)([O-])O.[H+].[H+] | null | N[C@@H](CCC(=O)O)C(=O)O.N[C@@H](CCCCNO)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>N[C@@H](CCCCNN[C@@H](CCC(=O)O)C(=O)O)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O | MAKQEVKKIVLAYSGGLDTSIILKWLKNEYGCEVITFSADLGQGDELAPIREKAFATGADKVYIDDLKEEFVRDFVYPMFRANAIYEGHYLLGTSIARPLIAKRQMEIAKIEGADAVSHGATGKGNDQVRFELGYYHFNPAITVIAPWRDWKLNSRQALVNYAKKNDIPIPVTKKRPWSSDRNLLHISFEGAILEDTWAEAPENMYVLTKAPEKAPNKPQYVEIEFKNGNAVAVDGEKMSPAQLLAHLNFIGGEHGIGRVDLLENRSVGMKSRGVYETPGGTILREAHMAVEQITMDREVMHLRDSLVPRYAEMVYNGYW... | 0 |
14,694 | 46,772 | UN | 46,772 | E3PZS0 | *OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(*)=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.O=O.[H+].[H+]>>*OC[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(*)=O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H].[H]O[H] | 1.14.19.28 | *OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(*)=O.O=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1>>*OC[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(*)=O.O.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1 | MALRSLFLPNAFPNASSFRGGSRRGAAPRAMPIVMKSNVEVGARNEIAKKPFTPPFEIHEQITHSLPPEKIEIFKSLEGWATDNILIHLRPVEKSWQPQDYLPDPSAESFHDQVKELRQRSKEIPDDYFVALVGDMITEEALPTYQTMLNTLDGVRDETGASLTSWAVWTRAWTAEENRHGDLLNKYLYLTGRVDMRQIEKTIQYLIGSGMDPRTENNPYLGFIYTSFQERATSISHGNTARHAKDYGDLSLAQVCGIIASDEKRHEKAYTKIIEKLFEIDPDATVLAFADMMKKKISMPAHLMYDGRDDNLFKHFSSVA... | 0 |
14,695 | 66,956 | UN | 66,956 | P71241 | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\COP(=O)([O-])OP(=O)([O-])O[C@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H]1O.NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)... | 2.4.1.378 | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\COP(=O)(O)OP(=O)(O)O[C@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H]1O.Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c(=O)[n... | MTNLKKRERAKTNASLISMVQRFSDITIMFAGLWLVCEVSGLSFLYMHLLVALITLVVFQMLGGITDFYRSWRGVRAATEFALLLQNWTLSVIFSAGLVAFNNDFDTQLKIWLAWYALTSIGLVVCRSCIRIGAGWLRNHGYNKRMVAVAGDLAAGQMLMESFRNQPWLGFEVVGVYHDPKPGGVSNDWAGNLQQLVEDAKAGKIHNVYIAMQMCDGARVKKLVHQLADTTCSVLLIPDVFTFNILHSRLEEMNGVPVVPLYDTPLSGVNRLLKRAEDIVLATLILLLISPVLCCIALAVKLSSPGPVIFRQTRYGMDGK... | 0 |
14,696 | 74,843 | UN | 74,843 | P49888 | [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... | MNSELDYYEKFEEVHGILMYKDFVKYWDNVEAFQARPDDLVIATYPKSGTTWVSEIVYMIYKEGDVEKCKEDVIFNRIPFLECRKENLMNGVKQLDEMNSPRIVKTHLPPELLPASFWEKDCKIIYLCRNAKDVAVSFYYFFLMVAGHPNPGSFPEFVEKFMQGQVPYGSWYKHVKSWWEKGKSPRVLFLFYEDLKEDIRKEVIKLIHFLERKPSEELVDRIIHHTSFQEMKNNPSTNYTTLPDEIMNQKLSPFMRKGITGDWKNHFTVALNEKFDKHYEQQMKESTLKFRTEI | 0 |
14,697 | 59,216 | UN | 59,216 | A0A100YXA1 | O=C([O-])CC1=CN/C2=C\C=C/C=C\12.[H+]>>CC1=CNC2=CC=CC=C12.O=C=O | 4.1.1.115 | O=C(O)Cc1c[nH]c2ccccc12>>Cc1c[nH]c2ccccc12.O=C=O | MQESLVLEMLQTGKTATWPANSGTQDGEGFVDKEVKGVPSTDRTKRMKERFMNAKCKMDMEAPIAYTKAWRMYEGKPLYVRRGLSYKYMLEHLTPVIRPDELITMSKTRYDRGATQVPQFATDFMISFLTQAEDQKDEAKLFSVEGKDEAHTVDEEGWTPVGQLFSIREEEVKPMLEVLEYWKTRCVENVSDEWMKTSFPMYQDYINAKKVGLFPGSGLHAGCDGRWIPAYDVVLGGLNKVIDECKKNIAKTVVTTKDVADKVFFWQGCIYACEGAIAWANNYAKEARRLAEITPEPRKTELLQMAERLERVPAEPPRNF... | 1 |
14,698 | 77,179 | UN | 77,179 | Q9LG41 | [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.O=O>>[H][C@]1([C@@H](O)C(N)=O)O[C@@H](N2C=CC(=O)NC2=O)[C@H](O)[C@@H]1O.O=C=O.[H]O[H] | null | 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.O=O>>NC(=O)[C@H](O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O.O.O=C=O | MDCFAETEGKRAHDPLYQRRAAAAATPATGVPVDDVDKVVDVPGAVIVGAGPAGVAVGALLGLRGVAYVVLERCGCIASLWRHRTYDRLCLHLPKRFCELPLRPFPASFPEYPTRDQFLGYLDAYAREFGVEPVFRRAVISAEYDGESWWVYTREVVAAAAGGEQAVLGCTMTVYRSRWLVVATGENAEPVVPEMDGAGRFKGQMMHSSEYRNGDGYAGKKVLVVGCGNSGMEVSLDLCNHNARASMVVRDTVHVLPREILGFSTFGLSMWLLRWLSVQTVDWLVLLLSFLVFGDTARLGIPRPSLGPFELKSVSGKTPV... | 0 |
14,699 | 56,304 | UN | 56,304 | O34309 | CO[C@H]1/C=C/O[C@@]2(C)OC3=C(C2=O)C2=C(O)\C(/C=N/N4CC[NH+](C)CC4)=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)/C(O)=C\2C(/[O-])=C\3C.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O.[H]O[H]>>CO[C@H]1/C=C/O[C@@]2(C)OC3=C(C2=O)C2=C(O)\C(/... | 2.7.9.6 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O>>CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C... | MSSLVLGLHEIEKTQLSLVGGKGLHLGELSKIQGIQVPEGFCVTTVGYQKAIEQNETLQVLLDQLTMLKVEDRDQIGNISRKIRQIIMEVDIPSDVVKAVAQYLSQFGEEHAYAVRSSATAEDLPHASFAGQQDTYLNITGVDAILQHISKCWASLFTDRAVIYRMQNGFDHSQVYLSVIVQRMVFPQASGILFTADPITSNRKVLSIDAGFGLGEALVSGLVSADCFKVQDGQIIDKRIATKKMAIYGRKEGGTETQQIDSDQQKAQTLTDEQILQLARIGRQIEAHFGQPQDIEWCLARDTFYIVQSRPITTLFPIPE... | 1 |
14,700 | 46,788 | UN | 46,788 | P46312 | *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 | MASRIADSLFAFTGPQQCLPRVPKLAASSARVSPGVYAVKPIDLLLKGRTHRSRRCVAPVKRRIGCIKAVAAPVAPPSADSAEDREQLAESYGFRQIGEDLPENVTLKDIMDTLPKEVFEIDDLKALKSVLISVTSYTLGLFMIAKSPWYLLPLAWAWTGTAITGFFVIGHDCAHKSFSKNKLVEDIVGTLAFLPLVYPYEPWRFKHDRHHAKTNMLVHDTAWQPVPPEEFESSPVMRKAIIFGYGPIRPWLSIAHWVNWHFNLKKFRASEVNRVKISLACVFAFMAVGWPLIVYKVGILGWVKFWLMPWLGYHFWMSTF... | 0 |
14,701 | 80,955 | UN | 80,955 | E9Q5L8 | *N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@H](O)CCCCCCCCCCCCC)C(*)=O.[NH3+]CC(=O)[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.[H+] | null | *N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@H](O)CCCCCCCCCCCCC)C(*)=O.NCC(=O)O>>*N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCS)C(*)=O.CCCCCCCCCCCCC[C@@H](O)CC(=O)NCC(=O)O | MLVLKCSTKLFILENMLKSHFPESLKVYGAVMNINRGNPFQKEVVLDSWPNFKVIITRREREAETDNLDHYTNAYAVFYKDIRAYQQLLEEHDVINWDQVFQIQGLQSELYAASKAVAKARLLDLDINLASFKAVHFSPVSSVPDHSFLTGPTPRLTYLSVSDADLLNRTWSRGGNQQCLRYLANLIACFPSVCVRDEKGNPVSWGITDQFATMCHGYTLPDHRRKGYSRLVALTLARKLQSRGFPSQGNVLDDNLASINLLKSVQAEFLPCRFHRLILTPAAFSRQAHL | 0 |
14,702 | 81,079 | UN | 81,079 | Q5XGA9 | [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... | MKGRIELGDVTPHNIKQLKRLNQVIFPVSYNDKFYKDVLEVGELAKLAYFNDIAVGAVCCRVDHSQNQKRLYIMTLGCLAPYRRLGIGTKMLNHVLNICEKDGTFDNIYLHVQISNESAIDFYRKFGFEIIETKKNYYKRIEPADAHVLQKNLKISSPGQNADVQKSEN | 0 |
14,703 | 42,352 | UN | 42,352 | I6XD65 | [H][C@]1(C2=CC=CN=C2)CCC[NH+]1C.*.[H]O[H]>>[H][C@]1(C2=CN=C(O)C=C2)CCC[NH+]1C.[H]*[H] | 1.5.99.4 | CN1CCC[C@@H]1c1cccnc1.O>>CN1CCC[C@@H]1c1ccc(O)nc1 | MRALIIVDVQNDFCEGGSLAVTGGAALARAISDYLAEAADYHHVVATKDFHIDPGDHFSGTPDYSSSWPPHCVSGTPGADFHPSLDTSAIEAVFYKGAYTGAYSGFEGVDENGTPLLNWLRQRGVDEVDVVGIATDHCVRQTAEDAVRNGLATRVLVDLTAGVSADTTVAALEEMRTASVELVCSS | 0 |
14,704 | 29,775 | UN | 29,775 | A6V255 | 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 | MTGRLIYLMGPSGSGKDSLLQAAREPLALRGCRIVRRVITRSAEAVGEDAQAVTPAQFDTLERASAFAMSWRANGLCYGIPVQIDEWLAQGYDVLVNGSRGYLAQARRRYPDLLAVLLGVQPEVLRQRLLARGRESPEEIEARLARNAEFAAGLEGPLFQLDNSGELDDTVRALLAWLGGDRACA | 0 |
14,705 | 59,064 | UN | 59,064 | Q84XW5 | CC1=C([O-])OC(CC/C(C)=C/C(C)=C/C2=CC=C([N+](=O)[O-])C=C2)=C(C)C1=O.C[S+](CC[C@H]([NH3+])C(=O)[O-])C[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1O>>COC1=C(C)C(=O)C(C)=C(CC/C(C)=C/C(C)=C/C2=CC=C([N+](=O)[O-])C=C2)O1.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CSCC[C@H]([NH3+])C(=O)[O-])[C@@H](O)[C@H]1O | 2.1.1.353 | CC(=C\c1ccc([N+](=O)[O-])cc1)/C=C(\C)CCc1oc(O)c(C)c(=O)c1C.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>COc1oc(CC/C(C)=C/C(C)=C/c2ccc([N+](=O)[O-])cc2)c(C)c(=O)c1C.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O | MPSSQAQADLWRHTLYYLTSMGLRCAVKLGIPTAIHNLGGVSSLPDLAAALSIPASKQPFLGRLMRALVTSGVFANGKERLLGGLFRLNPLSRILVEGVVAEEHHSQTSFVLAGTSRHYMEAALGMADWFKKDATGPVPTVFEDVHSASLFDESTAALDPELDALVTEGLAAHDNLGIGTIIREFHDLFKGLVSLTDFCCGDGTTSRAITKAHPHVKFTVLDLPKVIDKTPSDGIVNYFAGDLFHTVPKAQAVMLKLVLHHLSYEDCFKILTQCKDAIPSREEGGKVIVIDIVVAPSLGQVMFKEQTLMDILMLVFTRGR... | 0 |
14,706 | 82,568 | LR | 82,567 | Q5R4Y7 | CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](O)COP(=O)([O-])OC[C@H](O)CO.CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)CO>>CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](O)COP(=O)([O-])OC[C@@H](O)COC(=O)CCCCCCC/C=C\CCCCCCCC.OCC(O)CO | null | CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)CO.CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](O)COP(=O)(O)OC[C@H](O)CO>>CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](O)COP(=O)(O)OC[C@@H](O)COC(=O)CCCCCCC/C=C\CCCCCCCC.OCC(O)CO | MKPKLMYQELKVPAEEPANELPMNEIEAWKAAEKKARWVLLVLILAVVGFGALMTQLFLWEYGDLHLFGPNQRPAPCYDPCEAVLVESIPEGLDFPNASTGNPSTSQAWLGLLAGAHSSLDIASFYWTLTNNDTHTQEPSAQQGEEVLRQLQTLAPKGVNVRIAVSKPNGPQPQADLQALLQSGAQVRMVDMQKLTHGVLHTKFWVVDQTHFYLGSANMDWRSLTQVKELGVVMYNCSCLARDLTKIFEAYWFLGQAGSSIPSTWPRFYDTRYNQETPMEICLNGTPALAYLASAPPPLCPSGRTPDLKALLNVVDNARS... | 1 |
14,707 | 65,792 | UN | 65,792 | Q84HB6 | CN(C)C(=O)NC1=CC=CC(C(F)(F)F)=C1.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.O=O.[H+].[H+]>>CNC(=O)NC1=CC(C(F)(F)F)=CC=C1.[H]C([H])=O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H] | null | CN(C)C(=O)Nc1cccc(C(F)(F)F)c1.O=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1>>C=O.CNC(=O)Nc1cccc(C(F)(F)F)c1.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1 | MCPYRLDPEGADTHGETARLREQGPIARVELQDGVLAWSVHDYAVAKQIMADERFSKNPRKNWPAYINGEISNGWPLITWVAMDTMATQDGADHARLRKLLLKAFTERRVESMRPHIEKTVKELLDNMAAKADDEIVDIKEMFHAELPTRLMCDLFGVPEERRAEVLAGGHKNIDTRISSEAAEANLGQWQEAISDLVEYKRHHPGDDLTSALIEARDEGSRLSDSELIGTLHLLLGAGSETLVNALAHSSLALLVDADLRKKVTSGEIPWVNVWEETLRVESPVAHLPFRYATEDFEIGGVKISKGDPLLVDFAGIGRD... | 0 |
14,708 | 73,831 | UN | 73,831 | Q8NDV1 | *[C@@H](O)CC(=O)N[C@H]1[C@H](OC[C@H]2O[C@H](OP(=O)([O-])[O-])[C@H](NC(=O)C[C@@H](*)O)[C@@H](OC(=O)C[C@@H](*)O)[C@@H]2O)O[C@H](CO[C@]2(C(=O)[O-])C[C@@H](O[C@]3(C(=O)[O-])C[C@@H](O)[C@@H](O)[C@@H]([C@H](O)CO)O3)[C@@H](O)[C@@H]([C@H](O)CO)O2)[C@@H](OP(=O)([O-])[O-])[C@@H]1OC(=O)C[C@@H](*)O.[H][C@]1([C@H](O)CO)O[C@](OP(=O)... | 2.4.99.15 | *[C@@H](O)CC(=O)N[C@H]1[C@H](OC[C@H]2O[C@H](OP(=O)(O)O)[C@H](NC(=O)C[C@@H](*)O)[C@@H](OC(=O)C[C@@H](*)O)[C@@H]2O)O[C@H](CO[C@]2(C(=O)O)C[C@@H](O[C@]3(C(=O)O)C[C@@H](O)[C@@H](O)[C@@H]([C@H](O)CO)O3)[C@@H](O)[C@@H]([C@H](O)CO)O2)[C@@H](OP(=O)(O)O)[C@@H]1OC(=O)C[C@@H](*)O.Nc1ccn([C@@H]2O[C@H](COP(=O)(O)O[C@@]3(C(=O)O)C[C@... | MACILKRKSVIAVSFIAAFLFLLVVRLVNEVNFPLLLNCFGQPGTKWIPFSYTYRRPLRTHYGYINVKTQEPLQLDCDLCAIVSNSGQMVGQKVGNEIDRSSCIWRMNNAPTKGYEEDVGRMTMIRVVSHTSVPLLLKNPDYFFKEANTTIYVIWGPFRNMRKDGNGIVYNMLKKTVGIYPNAQIYVTTEKRMSYCDGVFKKETGKDRVQSGSYLSTGWFTFLLAMDACYGIHVYGMINDTYCKTEGYRKVPYHYYEQGRDECDEYFLHEHAPYGGHRFITEKKVFAKWAKKHRIIFTHPNWTLS | 0 |
14,709 | 81,996 | LR | 81,995 | A0A0C1EH92 | 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... | MTILSAERAPSRKILAVVTVGRYTCAAPILEICRILHTRGHTIEFACLDGHQRLATPHAFVSKIHVVGRNMSVEEDKSLYRLFDESDASTAQGRKGTFRALQFFHSWWPETYRNLKALVSNPEHRPDFILADLLADACIDIMNEFHIPLAVHYPQMPIQMAPQKYIPGMPGAQLKHLSSEHASLWERLMEEYHVLQLLFAMKDYIFFQRNMRREAGLGPRPPPRKPDYLVLVNSFFGLEVPKDLPPLMIPIGPVMADSFPLMEPSSGLVEFLESRKQVIYVAFGSHVELPGWRVRRLIDGLDQALAAGDIDGVIWAWKNP... | 1 |
14,710 | 49,440 | UN | 49,440 | P52043 | 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 | METQWTRMTANEAAEIIQHNDMVAFSGFTPAGSPKALPTAIARRANEQHEAKKPYQIRLLTGASISAAADDVLSDADAVSWRAPYQTSSGLRKKINQGAVSFVDLHLSEVAQMVNYGFFGDIDVAVIEASALAPDGRVWLTSGIGNAPTWLLRAKKVIIELNHYHDPRVAELADIVIPGAPPRRNSVSIFHAMDRVGTRYVQIDPKKIVAVVETNLPDAGNMLDKQNPMCQQIADNVVTFLLQEMAHGRIPPEFLPLQSGVGNINNAVMARLGENPVIPPFMMYSEVLQESVVHLLETGKISGASASSLTISADSLRKIY... | 0 |
14,711 | 78,979 | UN | 78,979 | P53612 | 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 | MGSLLFSWKGTQQKDVTIKSDAPDTLLLEKHADYIASYGSKKDDYEYCMSEYLRMSGVYWGLTVMDLMGQLHRMNREEILVFIKSCQHECGGISASIGHDPHLLYTLSAVQILTLYDSVHVINVDKVVAYVQSLQKEDGSFAGDIWGEIDTRFSFCAVATLALLGKLDAINVEKAIEFVLSCMNFDGGFGCRPGSESHAGQIYCCTGFLAITSQLHQVNSDLLGWWLCERQLPSGGLNGRPEKLPDVCYSWWVLASLKIIGRLHWIDREKLRSFILACQDEETGGFADRPGDMVDPFHTLFGIAGLSLLGEEQIKPVSPV... | 0 |
14,712 | 79,571 | UN | 79,571 | Q874T6 | 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 | MAATSDIVEKTHILQKYLELDQRGAIIAEYVWIDSEGGLRSKGRTLNKKVTSVDSLPEWNFDGSSTGQAPGHDSDIYLKPVAFYPDPFRRGDNIVVLAECWNNDGTPNKFNHRHEAAKLFEAHKDAEMWFGLEQEYTLFDQYDQVYGWPKGGFPAPQGPYYCGVGAGKVFARDVIEAHYRACLYAGVNISGINAEVMPSQWEFQVGPCEGIAMADQLWIARYFLHRVAEEFGVKVSLHPKPLKGDWNGAGCHTNVSTKLMRAPGGMKYIEDAIEKLSKRHNEHIKLYGADNEQRLTGRHETASMSTFSSGVANRGASIRI... | 0 |
14,713 | 76,103 | UN | 76,103 | A2TBU2 | CC1=C[C@H](O/C=C(\C=C\C2=C(C)CCCC2(C)C)C(=O)[O-])OC1=O.C[S+](CC[C@H]([NH3+])C(=O)[O-])C[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1O>>COC(=O)C(/C=C/C1=C(C)CCCC1(C)C)=C/O[C@H]1C=C(C)C(=O)O1.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CSCC[C@H]([NH3+])C(=O)[O-])[C@@H](O)[C@H]1O | null | CC1=C[C@H](O/C=C(\C=C\C2=C(C)CCCC2(C)C)C(=O)O)OC1=O.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>COC(=O)C(/C=C/C1=C(C)CCCC1(C)C)=C/O[C@H]1C=C(C)C(=O)O1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O | MSKPNVLDIRLATFEDSIVDLVINGLRKQPKTLPALLFYANEGLKHWNHHSHQPEFYPRHQEVQILKKKAQEMAASIPMNSVVVDLGSASLDKVIHLLEALEVQKKNISYYALDVSASQLESTLAAIPTQNFRHVRFAGLHGTFDDGLHWLKEAPEARDVPHTVLLFGLTIGNFSRPNAAAFLSNIGQHAFQGKSGDQCSILMSLDSCKVPTQVLRAYTCEGVVPFALQSLTYANGLFSEKNKTQASGDVQHKVFNLDEWYYLSEWNFVLGRHEASLIPRSKDIKLLPPLDGILVSKDEKVRFGCSYKYDQEERMELFAA... | 0 |
14,714 | 76,387 | UN | 76,387 | A0RP84 | [NH3+][C@@H](CCCCNO)C(=O)[O-].[NH3+][C@@H](CCC(=O)[O-])C(=O)[O-].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O>>[NH3+][C@@H](CCCCNN[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O.O=P([O-])([O-])OP(=O)([O-])O.[H+].[H+] | null | N[C@@H](CCC(=O)O)C(=O)O.N[C@@H](CCCCNO)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>N[C@@H](CCCCNN[C@@H](CCC(=O)O)C(=O)O)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O | MQKKDVKKVVLAYSGGLDTSIILKWLQDEYKCEVVTFTADIGQGEEVEPARKKAISLGIKPENIFIEDLREEFVKDFVFPMFRANAIYEGEYLLGTSIARPLIAKRLVEIAAATKADCVSHGATGKGNDQVRFEIGAYALNPNIKVIAPWREWDLNSREKLLAYAEKNGIDISKKKGKSPYSMDANLLHISYEGLVLEDPNHAPEEDMWRWSVSPKNAPDESDIIEIEYKNGDPVAINAKSMKPHEILTELNRLGAKHGIGRLDIVENRYVGMKSRGCYETPGGTIMLKAHRAIESITMDREAAHLKDELMPKYASLVYN... | 0 |
14,715 | 23,044 | UN | 23,044 | Q9SSE7 | 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 | MAMHTVRLSPATQLHGGISSNLSPPNRKPNNSIVRYGCGSSKRFRIVTVLASLRENDANGRDNSVRAMEVKKIFEDSPLLPKPLSSNQLTESVSNGSRVRVAYQGVRGAYSESAAEKAYPNCEAVPCEEFDTAFEAVERWLVDRAVLPIENSLGGSIHRNYDLLLRHNLHIVGEVKLAVRHCLLANHGVNIEDLRRVLSHPQALAQCENTLTKLGLVREAVDDTAGAAKQIAFENLNDAAAVASEKAAKIYGLNIVAKDIQDDCDNVTRFLMLAREPIIPGTNRLFKTSIVFSLEEGPGVLFKALAVFALRQINLTKIES... | 0 |
14,716 | 73,831 | UN | 73,831 | P27241 | *[C@@H](O)CC(=O)N[C@H]1[C@H](OC[C@H]2O[C@H](OP(=O)([O-])[O-])[C@H](NC(=O)C[C@@H](*)O)[C@@H](OC(=O)C[C@@H](*)O)[C@@H]2O)O[C@H](CO[C@]2(C(=O)[O-])C[C@@H](O[C@]3(C(=O)[O-])C[C@@H](O)[C@@H](O)[C@@H]([C@H](O)CO)O3)[C@@H](O)[C@@H]([C@H](O)CO)O2)[C@@H](OP(=O)([O-])[O-])[C@@H]1OC(=O)C[C@@H](*)O.[H][C@]1([C@H](O)CO)O[C@](OP(=O)... | 2.4.99.15 | *[C@@H](O)CC(=O)N[C@H]1[C@H](OC[C@H]2O[C@H](OP(=O)(O)O)[C@H](NC(=O)C[C@@H](*)O)[C@@H](OC(=O)C[C@@H](*)O)[C@@H]2O)O[C@H](CO[C@]2(C(=O)O)C[C@@H](O[C@]3(C(=O)O)C[C@@H](O)[C@@H](O)[C@@H]([C@H](O)CO)O3)[C@@H](O)[C@@H]([C@H](O)CO)O2)[C@@H](OP(=O)(O)O)[C@@H]1OC(=O)C[C@@H](*)O.Nc1ccn([C@@H]2O[C@H](COP(=O)(O)O[C@@]3(C(=O)O)C[C@... | MKNIRYIDKKDVENLIENKISDDVIIFLSGPTSQKTPLSVLRTKDIIAVNGSAQYLLSNNIVPFIYVLTDVRFLHQRRDDFYKFSQRSRYTIVNVDVYEHASKEDKLYILQNCLVLRSFYRREKGGFIKKIKFNILRQIHKELLISVPLSKKGRLVGFCKDISLGYCSCHTIAFAAIQIAYSLKYARIICSGLDLTGSCSRFYDENKNPMPSELSRDLFKILPFFRFMHDNVKDINIYNLSDDTAISYDVIPFIKLQDISAEESKDMTRKKMQYRTSTDSYAN | 1 |
14,717 | 15,681 | UN | 15,681 | Q7WE57 | [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 | MSSREELGVAVAGLGAIGKALANRLARNEVAGCRLSAVSGRDPGRTADFIASLPRPVPAVPLHELPRHADIVVECAPAAVLPQIVEPVLDAGKKVIVLSVGALLEFPELFRKAGSSDGQILVPTGALLGLDAVTAAAEGRIESVKMVSRKPPIGFKGAPILAERNLDIDGLTEPLLLYSGSARAAARGFPANLNVAVALSLAGIGPDETQLEVWADPGVVRNTHTIEVVSDAALLRMTIENIPSENPKTGRITAQSVMAMLRKMSAPVRVGT | 0 |
14,718 | 78,775 | UN | 78,775 | Q6VMV9 | O=C1C=C(C2=CC=C(O)C=C2)OC2=C1C(O)=C([C@@H]1O[C@H](CO)[C@@H](O)C(=O)[C@H]1O)C([O-])=C2>>O=C1C(O)=CO[C@H](CO)[C@H]1O.O=C1C=C(C2=CC=C(O)C=C2)OC2=C1C(O)=CC([O-])=C2 | null | O=C1[C@@H](O)[C@H](c2c(O)cc3oc(-c4ccc(O)cc4)cc(=O)c3c2O)O[C@H](CO)[C@H]1O>>O=C1C(O)=CO[C@H](CO)[C@H]1O.O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12 | MEASFENGRKRSSSSSSEEESAFSFAMELAAGSVLPMVIKSAIDLNLLELIKRGGEEGASAYELAAQINAENPKAAAEMIDRILQLLAAHSVLTCRVETPPSRRRRYSLAAVCKFLTRDEDGASLAPLSLLVQDRVFMEPWYHLKDVIVEGGVAFERAYGVHAFEYHAKDPKFNKIFNQAMHNQSIIFMKRILEIYKGFEGVKSLVDVGGGTGASSKMIVSKYPLIKAINFDLPHVIQDASPHPEVEHVGGDMFVSVPKADAIFLKWICHDWSDEHCRKLLKNCYDAILGNGKVIIAESTLPEDPNSGPDTIHAIRGDVI... | 0 |
14,719 | 13,961 | UN | 13,961 | A2BQ25 | 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)... | MELTLWTYEGPPHVGAMRIASSMKDIHYVLHAPQGDTYADLLFTMIERRGQRPPVTYTTFQARDLGGDTAELVKKNIKEAVERFKPKTLLVGESCTAELIQDQPGALAKGMGFDMPIVNLELPAYSKKENWGASETFYQLTRTLLKEKVSSSEKISPLRWKELGRRPKVNILGPSLLGFRCRDDVIEIQRILSEQGIDTNVVAPLGASPDDIERLIDAEINICLYPEIAEASCEWLKRNFGMEYTNTIPIGIKNTIEFINEVHKKLDLPLTNKEELENKSKLPWYSKSVDSNYLTGKRVFIFGDGTHAIAAAKIAKEELG... | 0 |
14,720 | 68,808 | UN | 68,808 | Q83PS8 | OC[C@H]1O[C@H](OC[C@H]2OC(O)(CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O.[H]O[H]>>OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O.OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O | 3.2.1.219 | O.OC[C@H]1O[C@H](OC[C@H]2OC(O)(CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O>>OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O.OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O | MLNQKIQNPNPDELMIEVDLCYELDPYELKLDEMIEAEPEPEMIEGLPASDALTPADRYLELFEHVQSAKIFPDSKTFPDCAPKMDPLDILIRYRKVRRHRDFDLRKFVENHFWLPEVYSSEYVSDPQNSLKEHIDQLWPVLTREPQDHIPWSSLLALPQSYIVPGGRFSETYYWDSYFTMLGLAESGREDLLKCMADNFAWMIENYGHIPNGNRTYYLSRSQPPVFALMVELFEEDGVRGARRYLDHLKMEYAFWMDGAESLIPNQAYRHVVRMPDGSLLNRYWDDRDTPRDESWLEDVETAKHSGRPPNEVYRDLRAG... | 0 |
14,721 | 56,356 | UN | 56,356 | Q6F4M9 | O=C([O-])C1=CC(Br)=C(O)C=C1.[Br-].NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](OP(=O)([O-])[O-])[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O.[H+].[H+].[H+]>>OC1=C(Br)C=C(Br)C=C1.O=C=O.NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](... | null | Br.NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)c1ccc(O)c(Br)c1.O=O>>NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.O.O=C=O.Oc1ccc(Br)cc1Br | MLEDPMKQNVLQPLDKAEFRNVVGHFASGVTIVTAAHDGVPYGATISAVTSLCDTPPMVLVCLNQKLGTHAAIRKARHFTINILGEDQASLAHTFATPGADKFADVAVHHRQHGPRLAEALAYLTCRVVDDLEGGTHRIFVAEVVEAQAGTGNPLSYYRGRFGHFVPYRNAMWRTTQADNAVSPH | 0 |
14,722 | 74,107 | UN | 74,107 | P70085 | C[C@H]1CCCC2=CCC(C(C)(C)O)C[C@]21C.CC1=C(C)C=C2C(=C1)NC1=C(NC(=O)NC1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].O=O>>C[C@H]1CCCC2=CC=CC[C@]21C.CC(C)=O.CC1=C(C)C=C2C(=C1)/N=C1/C(=O)[N-]C(=O)N=C1N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].[H]O[H].[H]O[H].[H+] | null | C[C@H]1CCCC2=CCC(C(C)(C)O)C[C@]21C.Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2.O=O>>CC(C)=O.C[C@H]1CCCC2=CC=CC[C@]21C.Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C.O.O | MAWFLCLSVLVVLVLALAALLWRVRTRDRPQEAPSLPYLPVLGSLLSLRSPHPPHVLFKELQQKYGQTYSLKMGSHQVIIVNHHAHAREVLLKRGRTFAGRPRTVTTDVLTRDGKDIAFGDYSATWRFHRKIVHGALCMFGEGSASLQRIICTEAQSLCSTLSEAAATGLALDLSPELTRAVTNVICSLCFNSSYSRGDPEFEAMLRYSQGIVDTVAKDSLVDIFPWLQIFPNKDLRLLKQCVAVRDQLLQKKFEEHKSDYSDHVQRDLLDALLRAKRSAENNNTAAEFSAEAVGLSDDHLLMTVGDIFGAGVETTTTVL... | 0 |
14,723 | 64,856 | UN | 64,856 | P49354 | 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 | MAATEGVGEAAQGGEPGQPAQPPPQPHPPPPQQQHKEEMAAEAGEAVASPMDDGFVSLDSPSYVLYRDRAEWADIDPVPQNDGPNPVVQIIYSDKFRDVYDYFRAVLQRDERSERAFKLTRDAIELNAANYTVWHFRRVLLKSLQKDLHEEMNYITAIIEEQPKNYQVWHHRRVLVEWLRDPSQELEFIADILNQDAKNYHAWQHRQWVIQEFKLWDNELQYVDQLLKEDVRNNSVWNQRYFVISNTTGYNDRAVLEREVQYTLEMIKLVPHNESAWNYLKGILQDRGLSKYPNLLNQLLDLQPSHSSPYLIAFLVDIYE... | 0 |
14,724 | 78,775 | UN | 78,775 | Q66PF5 | O=C1C=C(C2=CC=C(O)C=C2)OC2=C1C(O)=C([C@@H]1O[C@H](CO)[C@@H](O)C(=O)[C@H]1O)C([O-])=C2>>O=C1C(O)=CO[C@H](CO)[C@H]1O.O=C1C=C(C2=CC=C(O)C=C2)OC2=C1C(O)=CC([O-])=C2 | null | O=C1[C@@H](O)[C@H](c2c(O)cc3oc(-c4ccc(O)cc4)cc(=O)c3c2O)O[C@H](CO)[C@H]1O>>O=C1C(O)=CO[C@H](CO)[C@H]1O.O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12 | MAPVSNQVGGHVAVLAFPFSTHAAPLLNIVCRLAAAAPSTLFSFFNTKQSNSSILAGNTSVLRYSNVSVCEVADGVPEGYVFVGKPQEDIELFMKAAPDNFRRCLEASVAESGREVSCLVTDAFFWFGVHMADDMGGVPWVPFWTAGPASLSAHVHTDLIRSTTSGGCHDEKETITVIAGMSKVRPQDLPEGIIFGNLESLFSRMLHQMGQMPPLATAVFINSFEELDPVITNDLKSKFKRFLNVGPLDLLEPPASAATTTPQTAAEAVAGDGCLSWLDEQKVASVVYVSFGSVTRPSPEELMALAEALEASRVPFLWSL... | 0 |
14,725 | 80,323 | UN | 80,323 | D7GG24 | [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]... | MNPVVTGPIIRLSADDRDHIADLVRACTEHDGVSPLNESGWFGLQGLTASHTHWIARDGKQVVGYAQADAREHTVQLMVAPPARRQGIATTLAKAAWQLHPAMWWSFGDCPGARELATQLGLREVRKLLKMSLPMPADQPHDAHLPEGLRLDHFRDDDLDQLVAVNHAAFVHHPEQGAMTAEDARNRMAQDWFDPAGLLVARDEAGTLVGFHWTKVADEDGRPRGEVYVLGVDPDFEGKGVGRALLDAGILHMRELGVEAIDLYVEGANERVVHMYERAGFSVVSTDVGYAPAKPARHQDHGRQSSPQERDA | 0 |
14,726 | 75,259 | UN | 75,259 | P58027 | 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=O>>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.[H]OO[H] | 1.1.3.50 | O=O.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=C1[C@@H](O)[C@H](c2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)O[C@H](CO)[C@H]1O.OO | MASREKTSIEGHMFDVVVIGGGISGLSAAKLLAEHEVDVLVLEARDRVGGRTYTVRNEHVDYVDVGGAYVGPTQNRILRLSKELGLETYKVNVNERLVQYVKGKTYPFRGAFPPVWNPIAYLDYNNLWRTMDNMGKEIPADAPWEAPHAEEWDKMTMKDLIDKICWTKTARRFASLFVNINVTSEPHEVSALWFLWYVKQCGGTTRIFSVTNGGQERKFVGGSGQVSERIMERLGDRVKLKRPVTYVDQSDDNIIIETLNHELYECKYVISAIPPTLTAKIHFRPELPSERNQLIQRLPMGAIIKCMMYYKEAFWKKKDY... | 0 |
14,727 | 74,155 | UN | 74,155 | 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[NH2+]CC(=O)[O-].[H]O[H]>>[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41.[H]C([H])=O.[NH3+]CC(=O)[O-].[H+].[H+] | 1.5.7.3 | CNCC(=O)O.O.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41>>C=O.NCC(=O)O.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41 | MRRYSIFAVAREALRYHSGWEKAWASPEPKKRYDVIVVGAGGHGLATAYYLGKVHGIKNVAIIEKGWLGGGNTGRNTTIIRSNYLQDPSAAIYEKARSLYEGLSQDLNYNVMFSPRGLLMLAQSEHEMRGYKRTVYANNLQNVETRWIEPKEVKKLVPILNIAGPRYPVLGALLQEKGGTARHDAVAWGYARACSDMGMDLLQNTEVTGVRTEGGRVVGVDTSRGSIDCGKLAIVVAGHSSVLAGMAGFRLPIESMALQAWVSEPIKPTIDVVVMANLVHGYMSQSDKGELVIGGGTDGFNNYSQRGSWHHVEETTRALI... | 0 |
14,728 | 81,491 | UN | 81,491 | A4IT51 | CCCC[C@@H](C)[C@H](O)[C@H](C)C(=O)/C(C)=C/[C@@H](OC)[C@@H](O)[C@@H](OC)C(=O)N[C@H](CC1=CC=C(O)C(Cl)=C1)C(=O)[O-].CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N3C=NC4=C3N=CN=C4N)[C@H](O)[C@@H]1O)C1=NC(=O)[N-]C(=O)C1=N2.[H+].[H+]>>CCCC[C@@H](C)[C@H](O)[C@H](C)C(=O)/C(C)=C/[C@@H](OC)... | 4.1.1.129 | CCCC[C@@H](C)[C@H](O)[C@H](C)C(=O)/C(C)=C/[C@@H](OC)[C@@H](O)[C@@H](OC)C(=O)N[C@H](Cc1ccc(O)c(Cl)c1)C(=O)O.Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)c2cc1C>>CCCC[C@@H](C)[C@H](O)[C@H](C)C(=O)/C(C)=C/[C@@H](OC)[C@@H](O)[C@@H](OC)C(=O)N/C=C\... | MRMGIRTGAQYISGLKSRKPEIWLSGRRVINVCEEPVFKQPIREIARLYDMQHDPEYQDKITHICTETGERVSNAFLVPKSREDLLARRALFEVWARATFGLMGRTPDFLNVVLTSLYSNASFLEKYNPQWAENIRAYYRYVRDNDLFLTHAIINPQNDRSKPSHEQQDTFTHLGVVRETPEGLIVRGAKMLATLAPITDEVIIYTFPGYKPGDERYAVSFAIPIDTPGLRILCREPMQDGTRPLFDHPLASRFEEMDALLVFNDVLVPWDRVFIYNNVEAANLLYPKTGIAQQPAHQTGVRGLIKLQFATEVAIRLADS... | 0 |
14,729 | 80,759 | UN | 80,759 | O07427 | 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 | MTTTRTERNFAGIGDVRIVYDVWTPDTAPQAVVVLAHGLGEHARRYDHVAQRLGAAGLVTYALDHRGHGRSGGKRVLVRDISEYTADFDTLVGIATREYPGCKRIVLGHSMGGGIVFAYGVERPDNYDLMVLSAPAVAAQDLVSPVVAVAAKLLGVVVPGLPVQELDFTAISRDPEVVQAYNTDPLVHHGRVPAGIGRALLQVGETMPRRAPALTAPLLVLHGTDDRLIPIEGSRRLVECVGSADVQLKEYPGLYHEVFNEPERNQVLDDVVAWLTERL | 0 |
14,730 | 62,564 | UN | 62,564 | Q58DI5 | [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 | MQSPRRNAEGRPLGTCDPSSSGSPAHGGGSRFEFQSLLSSRMPGADPTSARLRASESPVHRRGSFPLAGAGSSQALPPQLPEEDRIDLNPSFLGIALRSLLAIDLWLSKKLGVCAGESSSWGSMRPLMKLLEISGHGIPWLLGTLYCLSRSDSWAGREVLMNLLFALLLDLLLVSLIKGLVRRRRPAHNQMDMFFTISVDKYSFPSGHTTRAALVSRFILNHLVLAIPLRVLVVLWAFILGLSRVMLGRHNVTDVAFGFFLGYMQYSIVDYCWLSPRTAPVLFVLWNQP | 0 |
14,731 | 80,651 | UN | 80,651 | P63497 | [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.[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.[1*]C(=O)[O-].[H+].[H+].[H+] | null | *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>>[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 | MTDADSAVPPRLDEDAISKLELTEVADLIRTRQLTSAEVTESTLRRIERLDPQLKSYAFVMPETALAAARAADADIARGHYEGVLHGVPIGVKDLCYTVDAPTAAGTTIFRDFRPAYDATVVARLRAAGAVIIGKLAMTEGAYLGYHPSLPTPVNPWDPTAWAGVSSSGCGVATAAGLCFGSIGSDTGGSIRFPTSMCGVTGIKPTWGRVSRHGVVELAASYDHVGPITRSAHDAAVLLSVIAGSDIHDPSCSAEPVPDYAADLALTRIPRVGVDWSQTTSFDEDTTAMLADVVKTLDDIGWPVIDVKLPALAPMVAAFG... | 0 |
14,732 | 80,267 | UN | 80,267 | Q7VGU9 | 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... | MAAIKKVVLAYSGGLDTSVILKWLGDNYHCEVVTFTADIGQGEEVEPAREKALKLGIKSENIFIEDLREEFIKDFVFPMFRANTIYEGEYLLGTSIARPLIAKRLVEIAKSVGADAIAHGATGKGNDQVRFELGAYALNPDIKVIAPWREWDLNSREKLLAYAESAGIAIEKKQNKSPYSMDANLLHISYEGQILEDPNVEPEEDMWRWSVSPLNAPDKPESISIEFQNGDGVAINGEKLSPANFWVNLNELGGKHGIGRLDLVENRYVGMKSRGCYETPGGTIYLKAHRAIESLCLDREEAHLKDSIMPKYAELIYNGY... | 0 |
14,733 | 81,375 | UN | 81,375 | Q75BW5 | *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 | MAKTASAMLFLYLLLSRCLLSHAFQEFITKFPMPMMYNFPSCSSTIPSTCRNETAIADTCCFEYPGGLILHSQFWNAPYRKRSYRDFGPDDSFTIHGLWNDRCDGSWDQFCRRGSSIRSVVDILSKDSLNRGGLPITGKALLRQMSMYWKGDRGDENLWVHEYNKHGLCLNTLRPECYQRWGSVASAEDQAIYDYFRIAMNLHLKIDAYHALSRQGIKPRCDAPYDAVRMQNALADDFGREVQMQCTGNRLTGVTYYYLLRGGILSENFQPVDPTQSSSCRGKIYWIPKSGC | 0 |
14,734 | 75,759 | UN | 75,759 | B9E972 | 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 | MYYSNGNYEAFARPKKPEGVDNKSAYLVGSGLASLAAASFLIRDGQMKGENIHILEELDLPGGSLDGILNPERGYIMRGGREMENHFECLWDLFRSVPSLEVEDASVLDEFYWLNKEDPNYSKCRVIENRGQRLESDGKMTLTKKANKEIIQLCLMKEEQLNDVKISDVFSKDFLDSNFWIYWKTMFAFEPWHSAMEMRRYLMRFIHHIGGLADFSALKFTKFNQFESLVMPLIEHLKAKNVTFEYGVTVKNIQVECSKESKVAKAIDIVRRGNEESIPLTENDLVFVTNGSITESTTYGDNDTPAPPTSKPGGAWQLWE... | 0 |
14,735 | 50,340 | UN | 50,340 | P9WPL5 | [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](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@@H](O)CC[C@@]21[H].S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H] | 1.14.15.19 | C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O.O=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1>>C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C[C@H](O)[C@@]43C)[C@@H]1CC[C@@H]2O.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1 | MTEAPDVDLADGNFYASREARAAYRWMRANQPVFRDRNGLAAASTYQAVIDAERQPELFSNAGGIRPDQPALPMMIDMDDPAHLLRRKLVNAGFTRKRVKDKEASIAALCDTLIDAVCERGECDFVRDLAAPLPMAVIGDMLGVRPEQRDMFLRWSDDLVTFLSSHVSQEDFQITMDAFAAYNDFTRATIAARRADPTDDLVSVLVSSEVDGERLSDDELVMETLLILIGGDETTRHTLSGGTEQLLRNRDQWDLLQRDPSLLPGAIEEMLRWTAPVKNMCRVLTADTEFHGTALCAGEKMMLLFESANFDEAVFCEPEK... | 0 |
14,736 | 78,491 | UN | 78,491 | B2FL98 | NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])CCC[NH3+])[C@@H](O)[C@H]2O)C=C1.NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](OP(=O)([O-])[O-])[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O>>NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])CCCNO)[C@@H](O)[C@H]2O)C=C1.NC(=O)C1=CC=... | null | NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.NCCCP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O.O=O>>NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@... | MIAHASRSLSIIGAGLAGSLLAILLSRQGWRITLYERRGDPRVADYESGRSINLALAERGRNALRQAGVEDEVMARAVMMRGRMVHPREGEPQLQRYGRDDSEVIWSIHRSDLNTTLLELAEQAGATVHFHRRLHTVDFDAGYARFIDDRDDSPHDIRFDTLIGADGAGSALRAAMNRRAPLGEDIAFLDHSYKELEIPPADDGSFRIERNALHIWPRGHYMCIALPNHEGTFTVTLFLPNQGDPSFATINTGAQAEALFAREFADTLPLIPNLRADWEQHPPGLLGTLTLDRWHQQGRAVLIGDAAHAMVPFHGQGMNC... | 0 |
14,737 | 79,571 | UN | 79,571 | O82560 | 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 | MSLLSDLINLNLSDITDKVIAEYIWVGGSGMDMRSKARTLSGPVKDPSKLPKWNYDGSSTGQAPGQDSEVILYPQAIFKDPFRRGSNILVMCDAYTPAGEPIPTNKRNNAAKIFGHPDVAAEEPWYGLEQEYTLLQKDVQWPLGWPLGGFPGPQGPYYCGTGANKAFGRDIVDSHYKACIYAGINISGINGEVMPGQWEFQVGPSIGISAADELWVARYILERITEIAGVVLSFDPKPIQGDWNGAGAHTNYSTKSMRNDGGYEVIKKAIAKLEKRHKEHIAAYGEGNERRLTGRHETADMNTFVWGVANRGASIRVGRD... | 0 |
14,739 | 75,003 | UN | 75,003 | Q9Z3R3 | 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)... | MQAERPLWVPDREIVERSPMAEFIDWCGERFGRSFADYDAFHDWSVSERGAFWTAVWEHCKVIGESGEKALVDGDRMLDARFFPEARLNFAENLLRKTGSGDALIFRGEDKVSYRLTWDELRALVSRLQQALRAQGIGAGDRVAAMMPNMPETIALMLATASVGAIWSSCSPDFGEQGVLDRFGQIAPKLFIVCDGYWYNGKRQDVDSKVRAVAKSLGAPTVIVPYAGDSAALAPTVEGGVTLADFIAGFQAGPLVFERLPFGHPLYILFSSGTTGVPKCIVHSAGGTLLQHLKEHRFHCGLRDGERLFYFTTCGWMMWN... | 0 |
14,740 | 78,503 | UN | 78,503 | E1WA38 | CC(=O)N(O)CCCP(=O)([O-])O.O=C([O-])CCC(=O)C(=O)[O-].O=O>>CC(=O)N(O)C[C@@H](O)CP(=O)([O-])O.O=C([O-])CCC(=O)[O-].O=C=O | null | CC(=O)N(O)CCCP(=O)(O)O.O=C(O)CCC(=O)C(=O)O.O=O>>CC(=O)N(O)C[C@@H](O)CP(=O)(O)O.O=C(O)CCC(=O)O.O=C=O | MNALTAVKANTDDLAQRHTGFTLAPSAQSPRLLALTFTADTTKQFLHQVAQWPVQALEYKSFLRFKIGKILDDLCGNQLQPLLIKTLLNRAQGALLISAEGIDDVAQAEEMVKLATAVAHLIGRSNYDAMSGQYYARFVVKNVDNSDSYLRQPHRVMELHNDGTYVEEVTDYVLMMKIDEQNMEGGNSLLLHLDDWEHLESFFTHPLARRVMRWAAPPSKNVSHDVWHPVFDVDQQGRPVMRYIDQFVQPKDFEEGVWLSELSDALETSQNILSVPVPVGKFLLINNLFWLHGRDRFTPHPDLRRELMRQRGYFAYAASH... | 0 |
14,741 | 75,771 | UN | 75,771 | Q9ZNW2 | 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 | MVFAGGGLQQGSLEENIDVEHIASMSLFSDFFSYVSSTVGSWSVHSIQPLKRLTSKKRVSESAAVQCISAEVQRNSSTQGTAEALAESVVKPTRRRSSQWKKSTHPLSEVAVHNKPSDCWIVVKNKVYDVSNFADEHPGGSVISTYFGRDGTDVFSSFHAASTWKILQDFYIGDVERVEPTPELLKDFREMRALFLREQLFKSSKLYYVMKLLTNVAIFAASIAIICWSKTISAVLASACMMALCFQQCGWLSHDFLHNQVFETRWLNEVVGYVIGNAVLGFSTGWWKEKHNLHHAAPNECDQTYQPIDEDIDTLPLIAW... | 0 |
14,742 | 46,568 | UN | 46,568 | P30099 | *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 | MGACDNDFIELHSRVTADVWLARPWQCLHRTRALGTTATLAPKTLKPFEAIPQYSRNKWLKMIQILREQGQENLHLEMHQAFQELGPIFRHSAGGAQIVSVMLPEDAEKLHQVESILPRRMHLEPWVAHRELRGLRRGVFLLNGAEWRFNRLKLNPNVLSPKAVQNFVPMVDEVARDFLEALKKKVRQNARGSLTMDVQQSLFNYTIEASNFALFGERLGLLGHDLNPGSLKFIHALHSMFKSTTQLLFLPRSLTRWTSTQVWKEHFDAWDVISEYANRCIWKVHQELRLGSSQTYSGIVAALITQGALPLDAIKANSME... | 0 |
14,743 | 79,571 | UN | 79,571 | P43386 | 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 | MTEDNALTDGGLSDEAQAVIDEIEEKNVDFLRLQFTDILGTVKNVSIPASQAEKAFTEGIYFDGSSIDGFVRIQESDMRLEPDPSTFAVLPWRKKENSAAGRLICDVFNTSTGEPFSGDPRGVLKRAIERAEELGYDVNVAPEPEFFLFEEDEDGRATTVTNDAGGYFDLAPKDLASDVRRDIIYGLESMGFDIEASHHEVAEGQHEINFTYDDALSTADNVATFRSVVRAIAAEHDLHATFMPKPIPRINGSGMHTHISLFKDGENAFHDGDDEFDLSDTAKSFVAGILDHAPAITAVADPTVNSYKRLVPGYEAPVYI... | 0 |
14,744 | 46,788 | UN | 46,788 | P28645 | *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 | MALNLNPVSTPFQCRRLPSFSPRQTPSRRSPKFFMASTLSSSSPKEAESLKKPFSPPREVHVQVTHSMPQEKIEIFKSLEGWAEENLLVHLKPVEKCWQPQDYLPDPASEDFRDQVKEIQERAKEIPDDLYVVLVGDMITEEALPTYQTMLNTLDGAKDETGASPTSWAVWTRAWTAEENRHGDLLNKYLYLSGRVDMRSIEKTIQYLIGSGMDPRTENNPYLGFVYTSFQERATFVSHGNSARLAKEHGDLKMAQICGIIASDEKRHETAYTKIVEKLFEIDPDATVLAFADMMKKKISMPAHLMYDGRDDNLFDHFSA... | 0 |
14,745 | 80,203 | UN | 80,203 | Q8BW75 | 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 | MSNKSDVIVVGGGISGMAAAKLLHDCGLSVVVLEARDRVGGRTYTIRNKNVKYVDLGGSYVGPTQNRILRLAKELGLETYKVNEVERLIHFVKGKSYAFRGPFPPVWNPITYLDNNNLWRTMDEMGQEIPSDAPWKAPLAEEWDYMTMKELLDKICWTKSTKQIATLFVNLCVTAETHEVSALWFLWYVKQCGGTTRIISTTNGGQERKFIGGSGQVSERIKDILGDRVKLERPVIHIDQTGENVIVKTLNHEIYEAKYVISAIPPALGMKIHYSPPLPMLRNQLISRVPLGSVIKCMVYYKEPFWRKKDFCGTMVIEGE... | 0 |
14,746 | 81,139 | UN | 81,139 | Q7X9V3 | COC1=CC(C[C@H]2C[NH2+][C@@H](CC3=CC=CC=C3)CN2C(=O)/C=C/C2=CC=CC=C2)=CC(OC)=C1O.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=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.CC(C)(COP(=O)([O-])OP(=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)cc(OC)c1O>>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@... | MLLIPISSSSSSSISPPPNSYPSNHHSLFFSNLTFPIQHGSRKLKTLRLRANFWESIRSGFVKNNNSTQLVEPPSIVNDEEEETEPLLPVEFTLVERNLEDGLVEEIIFSSGGEIDVYDLQGLCDKVGWPRRPLVKLAAALKNSYMVATLHSVMKSSSDSDSSEGGDGEKQQEKKLIGMARATSDHAFNATIWDVLVDPEYQGQGLGKALVEKLVRALLQRDIGNISLFADSQVVDFYQNLGFEADPEGIKGMFWYPK | 0 |
14,747 | 78,983 | UN | 78,983 | P41992 | 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 | MSFAGLLDFARKDVDLPQNSPNELLKDLHANFINQYEKNKNSYHYIMAEHLRVSGIYWCVNAMDLSKQLERMSTEEIVNYVLGCRNTDGGYGPAPGHDSHLLHTLCAVQTLIIFNSIEKADADTISEYVKGLQQEDGSFCGDLSGEVDTRFTLCSLATCHLLGRLSTLNIDSAVRFLMRCYNTDGGFGTRPGSESHSGQIYCCVGALAIAGRLDEIDRDRTAEWLAFRQCDSGGLNGRPEKLPDVCYSWWVLASLAILGRLNFIDSDAMKKFIYACQDDETGGFADRPGDCADPFHTVFGIAALSLFGDDTLESVDPIFC... | 0 |
14,748 | 79,687 | UN | 79,687 | A0A2Z6AQX6 | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]>>[H][C@@]12C/C=C(/C)[C@]3([H])CC[C@H](C)[C@]3([H])C[C@@]1(C)CC[C@]1(C)CC[C@H](C(=C)C)[C@]12[H].O=P([O-])([O-])OP(=O)([O-])O | null | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>C=C(C)[C@H]1CC[C@@]2(C)CC[C@]3(C)C[C@H]4[C@@H](C)CC[C@H]4/C(C)=C\C[C@H]3[C@H]12.O=P(O)(O)OP(=O)(O)O | MAATKKSTATAAHQIIPSQPTSMSADKFLFSCLQVFVLFFEWARSFLLSTQSRLSAVPAENARLEPSKPISEEEESVIEKPASSITPRYSNLVDPSTYNDLGLCSALPLRVHKFAHLADKGALRAQEDWKRLVGPIRNFTGCLSPRFNGIAVAVPECIPERLEIVTYANEFAFLHDDILDNVGKEEGDHENNEMAAGFGSVLNPADNVKMSASGKSQMQAKLILELLAINEPQAMVLLKCWEGLVKGESGSQHFNFQRLDEYLPHRVINLGQTFWFGIITFAMGLTISPDEAEKANNITDPAYATLALANDYFSWEKEYI... | 0 |
14,749 | 65,816 | UN | 65,816 | Q87WR9 | [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+] | MHQMTLAEIARGLAEKKFSSEELTRVLLSRIAQLDPQLNSFISLTEDLAITQAQAADARRAAGENGPLLGAPLAHKDLFCTQGIRTSCGSRMLDNFKAPYDATVVSKLASAGTVTLGKTNMDEFAMGSANESSHYGAVKNPWNLECVPGGSSGGSAAAVAARLLPAATGTDTGGSIRQPAALTNLTGLKPTYGRVSRWGMIAYASSLDQAGPMARTAEDCALLLQGMAGFDPQDSTSIDEPVPDYSASLNTSLKGLRIGVPKEYFSAGLDPRIAQLVHESVKELEKLGAIVKQVSLPNLQHAIPAYYVIAPAEASSNLSR... | 0 |
14,750 | 80,303 | UN | 80,303 | D2B7W7 | [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]... | MNARVEHRGRLDEREVAAVLTVVEAATEADGVRPLNEHVMLHLRYGGDERAGAVLLYVGDDLAGYAHVDPTDPVEGPSGELVIHPAFRGQGHGRHLLEAVLDRTGGRLRLWAHGGHPGAEALALSTGFTKIRSLWQMRRSLFAAIPGFELPDGVRLRTFAPGSPDEEAWVALNAKAFAHHPEQGSWTLEDLKRREQEPWFDPAGFFLAERPTGSGDGDVADGGSTDGGPADSGSADGGAGEGGTGDGNRLIGFHWTKVHGDGGHGHEPIGEVYVVGVDPAEQGGGLGRSLTLAGLSHLRARGLAQVMLYVDESNTAAIRL... | 0 |
14,751 | 78,815 | UN | 78,815 | Q01740 | [NH3+]CCCC[NH3+].NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](OP(=O)([O-])[O-])[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O>>[NH3+]CCCCNO.NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](OP(=O)([O-])[O-])[C@@H]3O)[C@@H](O)[C@H]2O)=C1... | 1.14.13.252 | NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.NCCCCN.O=O>>NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.NCCCCNO.O | MAKRVAIVGAGVSGLASIKCCLEEGLEPTCFERSDDLGGLWRFTEHVEEGRASLYKSVVSNSCKEMSCYSDFPFPEDYPNYVPNSQFLEYLKMYANHFDLLKHIQFKTKVCSVTKCSDSAVSGQWEVVTMHEEKQESAIFDAVMVCTGFLTNPYLPLDSFPGINAFKGQYFHSRQYKHPDIFKDKRVLVIGMGNSGTDIAVEASHLAEKVFLSTTGGGWVISRIFDSGYPWDMVFMTRFQNMLRNSLPTPIVTWLMERKINNWLNHANYGLIPEDRTQLKEFVLNDELPGRIITGKVFIRPSIKEVKENSVIFNNTSKEE... | 0 |
14,752 | 46,568 | UN | 46,568 | P28645 | *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 | MALNLNPVSTPFQCRRLPSFSPRQTPSRRSPKFFMASTLSSSSPKEAESLKKPFSPPREVHVQVTHSMPQEKIEIFKSLEGWAEENLLVHLKPVEKCWQPQDYLPDPASEDFRDQVKEIQERAKEIPDDLYVVLVGDMITEEALPTYQTMLNTLDGAKDETGASPTSWAVWTRAWTAEENRHGDLLNKYLYLSGRVDMRSIEKTIQYLIGSGMDPRTENNPYLGFVYTSFQERATFVSHGNSARLAKEHGDLKMAQICGIIASDEKRHETAYTKIVEKLFEIDPDATVLAFADMMKKKISMPAHLMYDGRDDNLFDHFSA... | 0 |
14,753 | 81,163 | UN | 81,163 | P00186 | 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... | MAFSQYISLAPELLLATAIFCLVFWMVRASRTQVPKGLKNPPGPWGLPFIGHMLTVGKNPHLSLTRLSQQYGDVLQIRIGSTPVVVLSGLNTIKQALVRQGDDFKGRPDLYSFTLITNGKSMTFNPDSGPVWAARRRLAQDALKSFSIASDPTSASSCYLEEHVSKEANHLVSKLQKAMAEVGHFEPVSQVVESVANVIGAMCFGKNFPRKSEEMLNIVNNSKDFVENVTSGNAVDFFPVLRYLPNPALKRFKTFNDNFVLFLQKTVQEHYQDFNKNSIQDITSALFKHSENYKDNGGLIPEEKIVNIVNDIFGAGFDTV... | 0 |
14,754 | 75,759 | UN | 75,759 | Q5RBQ1 | 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 | MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLRKNPHLALSRMSQRYGDVLQIRIGSTPVLVLSGLDTIRQALVRQGDDFKGRPDLYSSTLITDGQSLTFSPDSGPVWAARRHLAQNALNTFSIASDPASSYSCYLEEHVSKEAEALISRLQELMAGPGHFDPYNQVVVSVVNVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPVDFFPILRYLPNPALQRFKAFNQRFLRFLRKTVQEHYQDFDKNSVQDIMGALFKYSKKGPRASGNLIPQEKIVNLVNDIFGAGFD... | 0 |
14,755 | 79,227 | UN | 79,227 | A1DN10 | [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 | MSPLSMQTDSVQGTAENKSLETNGTSNDQQLPWKVLGKSLGLPTIEQEQYWLNTAPYFNNLLIQCGYDVHQQYQYLAFYHRHVLPVLGPFIRSSAEANYISGFSAEGYPMELSVNYQASKATVRLGCEPVGEFAGTSQDPMNQFMTREVLGRLSRLDPTFDLRLFDYFDSQFSLTTSEANLAASKLIKQRRQSKVIAFDLKDGAIIPKAYFFLKGKSLASGIPVQDVAFNAIESIAPKQIESPLRVLRTFVTKLFSKPTVTSDVFILAVDCIVPEKSRIKLYVADSQLSLATLREFWTLGGSVTDSATMKGLEIAEELWR... | 0 |
14,756 | 78,491 | UN | 78,491 | P11295 | NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])CCC[NH3+])[C@@H](O)[C@H]2O)C=C1.NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](OP(=O)([O-])[O-])[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O>>NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])CCCNO)[C@@H](O)[C@H]2O)C=C1.NC(=O)C1=CC=... | null | NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.NCCCP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O.O=O>>NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@... | MKKSVDFIGVGTGPFNLSIAALSHQIEELDCLFFDEHPHFSWHPGMLVPDCHMQTVFLKDLVSAVAPTNPYSFVNYLVKHKKFYRFLTSRLRTVSREEFSDYLRWAAEDMNNLYFSHTVENIDFDKKRRLFLVQTSQGEYFARNICLGTGKQPYLPPCVKHMTQSCFHASEMNLRRPDLSGKRITVVGGGQSGADLFLNALRGEWGEAAEINWVSRRNNFNALDEAAFADEYFTPEYISGFSGLEEDIRHQLLDEQKMTSDGITADSLLTIYRELYHRFEVLRKPRNIRLLPSRSVTTLESSGPGWKLLMEHHLDQGRES... | 0 |
14,757 | 77,659 | UN | 77,659 | A0A348HAY0 | [H][C@@]12/C3=C(\C[C@@]4(CC(=O)[O-])C(=O)OC1(O)C4=C[C@H](CCCCC/C=C/C)[C@H]2C[C@H](O)C(=O)CC/C=C/C)C(=O)OC3=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>>[H][C@@]12/C3=C(\C[C@@]4(CC(=O)[O-])C(=O)OC15O[C@]([H])(C(=O)CC/C=C/C)C[C@@H]2[C@@H](CCCCC/C=C/C)C=C54)C(=O)OC3=O.CO.NC1=NC=NC2=... | null | C/C=C/CCCCC[C@H]1C=C2C3(O)OC(=O)[C@]2(CC(=O)O)CC2=C(C(=O)OC2=O)[C@H]3[C@@H]1C[C@H](O)C(=O)CC/C=C/C.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=C/CCCCC[C@H]1C=C2C34OC(=O)[C@]2(CC(=O)O)CC2=C(C(=O)OC2=O)[C@H]3[C@@H]1C[C@@H](C(=O)CC/C=C/C)O4.CO.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O... | MSAPTVVGQRDPEKAWAYKKDVAWYRTELSEETIGPMRPILELYSKVPPESVVEWIKTVRDKAWEVYPYGTIGMFGFLTLSLPTHPSYPDILASLQSGKKTFLDIGCCVGQELRSLTYAGVPSENLYGVDLHQGFLDIGYELFRDSETLKSTLLAADVFDENSEVLKDVEGKIDVVHAGSFFHLFDWDQQVTAAKRVVRLLRPQPGSILVGKQAGDVNAGQKSRPGKLGSRYRHNAESWKKLWQQVAAETGTQWEVSVRELEDKEYFREMTGGVDLAKVKSYGDWNPETTRRIEFLFRRA | 1 |
14,758 | 78,767 | UN | 78,767 | K0ICR0 | 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 | MVADEEAQLHAQAWDHALSYIKPTALSAAVELEIPDILENHGGPMTLSELSAASGCPREPLYRLMRFLIFHGIFTKSDDCYAQSPLSRLFTTENLGPYMLMQATPVTRCPTGLSGEALKTGTSLYLKSIRGEDSWSDPAYGYHMKAFTNAMTAHARLTAAAIVRNYPAAFDGVQSVVDVGSRHGTAIGKLVEAFPWVRGIAFDLPEIVADAPPRKGVDFVGGDMFESVPKADAVMLMWILHDWSDDKCIEILKKCKEAIPANIGKVMIVDAIINEDGEGDEFSGTRLSLDMIMLAVMAQGKERTYKEWVHLLNEAGFSKH... | 0 |
14,759 | 82,335 | UN | 82,335 | B5YXT1 | *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 | MKQSHFFAHLSRLKLINRWPLMRNVRTENVSEHSLQVAMVAHALAAIKNRKFGGNVNAERIALLAMYHDASEVLTGDLPTPVKYFNSQIAQEYKAIEKIAQQKLVDMVPEELRDIFAPLIDEHAYSDEEKSLVKQADALCAYLKCLEELAAGNNEFLLAKTRLEATLEARRSQEMDYFMEVFVPSFHLSLDEISQDSPL | 0 |
14,760 | 50,684 | UN | 50,684 | Q0D8D4 | [NH3+][C@@H](CCC(=O)NC1=CC=CC=C1)C(=O)[O-].[H]O[H]>>NC1=CC=CC=C1.[NH3+][C@@H](CCC(=O)[O-])C(=O)[O-].[H+] | 3.5.1.123 | N[C@@H](CCC(=O)Nc1ccccc1)C(=O)O.O>>N[C@@H](CCC(=O)O)C(=O)O.Nc1ccccc1 | MRLLRVATCNLNQWAMDFDTNLRNVKESIARAKAAGAAVRVGPELELTGYGCEDHFLEQDTAAHAWECLKDILSGGYTDGILCSIGMPVIFKSVRYNCQVFCLNSKIVMIRPKISLANDGNYREFRWFSAWTFKDALVDFQLPLDISEVTSQDTVPFGYGFIQFLDVSLASETCEELFTANAPRIDLALNGVEVFVNASGSHHQLRKLSLRIDSMRNATLACGGVYMYANQQGCDGGRLYYDGCCCIAVNGDVVAQGSQFSLKDVEVLDALVDLDAVSSYRASVSSFREQASHRTKVPFVKVPYKLCKPFQSGMVPTGPV... | 0 |
14,761 | 79,055 | UN | 79,055 | A2BYX6 | 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 | MFDSLKNFLKKSIEDLDGKELEISKEFQEYHNKDSKYIIKNWLFESPQYRKWRVTKLDGGDKLQVFNTVAYPNFKSESPILGADILWFGTSQKLLAIFDYQPLIQEKKYLYQYCSSLDFIKKKYSVFDNNKMKNIYDSKKYFSPWVMICRGNKLNLDRDLNSIFYLFVSDYLRINKLNQNNQFLNYEQIKNKQIDYDKYSAEKDPADKLFKSFFGENWTCNFINNFLFTLNNYSKD | 0 |
14,762 | 50,812 | UN | 50,812 | Q9EPT4 | [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 | MLAKGLSLRSVLAKGCQPFLSPTWQSSVLATGGGANISTNSPRPFNEIPSPGDNGWLNLYHFWRENGTHRIHYHHMQNFQKYGPIYREKLGNKDSVYILDPEDAAQLFLSEGPYPERYLVPPWVAYHQYYKRPIGVLFKSSEAWKKDRLVLNQEVMAPEAIKNFVPLLEGVVQDFINVLHRRIKQQKSGNFSGDISDDLFRFAFESITSVVFGERLGMLEEIVDPESQRFIDAIYQMFHTSVPMLNLPPELFRFFRTKTWKEHAAAWDMIFKKADDYTQTFYWDLRQKQEFSKYPGVLYSLLGGNKLPFKNIQANITEML... | 0 |
14,763 | 59,224 | UN | 59,224 | P59287 | 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 | MALPSAAMQSNPEKLNLFHRLSSLPTTSLEYGNNRFPFFSSSAKSHFKKPTQACLSSTTHQEVRPLAYFPPTVWGNRFASLTFNPSEFESYDERVIVLKKKVKDILISSTSDSVETVILIDLLCRLGVSYHFENDIEELLSKIFNSQPDLVDEKECDLYTAAIVFRVFRQHGFKMSSDVFSKFKDSDGKFKESLRGDAKGMLSLFEASHLSVHGEDILEEAFAFTKDYLQSSAVELFPNLKRHITNALEQPFHSGVPRLEARKFIDLYEADIECRNETLLEFAKLDYNRVQLLHQQELCQFSKWWKDLNLASDIPYARDR... | 0 |
14,764 | 64,872 | UN | 64,872 | B1JND0 | 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 | MQAILSSWFIQGMIKATSDMWHKGWDERNGGNISLRLLAEEVEPYRRDFYQQPRKVELTQPAPELANSWFLVTGSGKFFRNVELNPAENLVLLQVSNDGMAYHIHWGLTQGGLPTSELAAHFQSHIVRMQVSGGTNRVIMHCHATNLIALSYVQKLENASFTRLLWEGSTECLVVFPDGIGIVPWMVPGTDGIGTQTAEQMREHSLVLWPFHGIFGSGPTLDDAFGLIDTAEKSAEIMVKVLSMGGKKQTISREQLIALAARFDVTPMAAALDA | 0 |
14,765 | 70,775 | UN | 70,775 | P30437 | 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 | MAWFLCMCVFSVVGLGLLLLQVKLRRSLETRGGPPSLPVFPLIGSLLSLRSNQAPHVLFQKLQQKYGHTYSLMMGPHTVILVNHHQHAKEVLLKKGKIFAGRPRTVTTDLLTRDGKDIAFADYGATWRFHRKTVHGALCMFGEGSASIEKIICREALSLCDTLRESGSASLDLSPELTRAVTNVVCSLCFSSSYCRGDPEFEAMLQFSQGIVDTVAKDSLVDIFPWLQVFPNADLRLLKQCVSIRDKLLQKKYEEHKSDYSDHEQRDLLDALLRAKRSAENNNTAEITMETVGLSEDHLLMTVGDIFGAGVETTSTVLKW... | 0 |
14,766 | 78,499 | UN | 78,499 | Q7T291 | CC(=O)N(O)CCCP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O.[H]O[H]>>CC(=O)N(O)CCCP(=O)([O-])O.NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C=C1.[H+] | null | CC(=O)N(O)CCCP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O.O>>CC(=O)N(O)CCCP(=O)(O)O.Nc1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)n1 | MEDPVFTFGLIADVQYADIEDGENYLRTRRRYYRGSADLLRDAVLQWRRERVQCVVQLGDIIDGHNRRRDASDRALDTVMAELDACSVDVHHVWGNHEFYNFSRPSLLSSRLNSAQRTGTDTGSDLIGDDIYAYEFSPAPNFRFVLLDAYDLSVIGREEESEKHTHSWRILTQHNHNLQDLNLPPVSVGLEQRFVKFNGGFSEQQLQWLDAVLTLSDHKQERVLIFSHLPVHPCAADPICLAWNHEAVLSVLRSHQSVLCFIAGHDHDGGRCTDSSGAQHITLEGVIETPPHSHAFATAYLYEDRMVMKGRGRVEDLTIT... | 0 |
14,767 | 59,236 | UN | 59,236 | P93227 | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]>>[H][C@@]1([C@H](C)CCC=C(C)C)CC[C@@H](C)C2=C1C=C(C)CC2.O=P([O-])([O-])OP(=O)([O-])O | 4.2.3.203 | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>CC(C)=CCC[C@@H](C)[C@@H]1CC[C@@H](C)C2=C1C=C(C)CC2.O=P(O)(O)OP(=O)(O)O | MDSCEVTKTRIPFKERPDWADVKPVPQDDGPCPVVPIAYTEDFSETMDYFRAIYVADERSTRALQLTGEAIQLNPGNYTVWQFRRVVLEALGVDLREELKFVDRIAGENTKNYQIWHHRRWLAEKLGADAVTNELEFTKKIFSQDAKNYHAWSHRQWVLQALGGWEDELAYCQQLLEDDIYNNSAWNQRYFVVTRSPLLGGLVAMRELEVNYTVQAIRASPENESPWRYLRGLYKNDTQSLVQDSQVASVLWDVLTSQNSHVHALRFLLDLLCHDLEPSQELKSAVDVLTPQSCSPDLALTKKICSILEHADPMRVKYWN... | 0 |
14,768 | 65,788 | UN | 65,788 | A0A076FFM5 | CN(C)C(=O)NC1=CC=C(Cl)C(Cl)=C1.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.O=O.[H+].[H+]>>CNC(=O)NC1=CC=C(Cl)C(Cl)=C1.[H]C([H])=O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H] | null | CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1.O=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1>>C=O.CNC(=O)Nc1ccc(Cl)c(Cl)c1.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1 | MPFPMEVLQASSLSFPLLRRHSRNNLINKFRNPTLPRIDIPRQNIDLKTFAATTPTVACPPSDPEIIPEKKEDKFDWYENWYPVATVCDLDKRRPHGRKVIGIDVVVWWDRKENAWKVFDDTCPHRLAPLSEGRIDQWGRLQCVYHGWCFDGVGACKFIPQAPHDGPPVETSKKACVKGVYPSCVRNGIVWFWPNSDPKYKDIYLTNKPHYIPELDDPSFTCTTITREVPYGYEILAENLMDPSHVPYAHYGILELEKVKESSKRDREGGHEMEISVGTIDVNGFSAKHVSADYYFVPPYVYYGRITPNAATKTKDATLP... | 0 |
14,770 | 80,299 | UN | 80,299 | A0A067DDU9 | [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 | MQSFGSQTWDCAFAVQALLACNLTDEIGPILMKAHDFLKTSQVTDNPPGDFESMFRHTSKGGWTFSNKDHGWPVSDCTAEALLCCLYFSMLPPEIVGEKMEPERYYDAVNCIISMQSQTGGVPAWEPRRAPSWLESLNPIEFFDEVIIEH | 0 |
14,771 | 78,771 | UN | 78,771 | P46852 | 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 | MIYLRKANERGHANHGWLDSWHTFSFANYYDPNFMGFSALRVINDDVIEAGQGFGTHPHKDMEILTYVLEGTVEHQDSMGNKEQVPAGEFQIMSAGTGIRHSEYNPSSTERLHLYQIWIMPEENGITPRYEQRRFDAVQGKQLVLSPDARDGSLKVHQDMELYRWALLKDEQSVHQIAAERRVWIQVVKGNVTINGVKASTSDGLAIWDEQAISIHADSDSEVLLFDLPPV | 0 |
14,772 | 80,263 | UN | 80,263 | Q2GGE6 | COC1=CC=C(/C=C2\NC(=O)[C@H](CCCNC(N)=[NH2+])NC2=O)C=C1OCC[C@H](NC(=O)C[C@](O)(CC(=O)[O-])C(=O)[O-])C(=O)[O-].[NH3+][C@@H](CC(=O)[O-])C(=O)[O-].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O>>COC1=CC=C(/C=C2\NC(=O)[C@H](CCCNC(N)=[NH2+])NC2=O)C=C1OCC[C@H](NC(=O)C[C@](O)(CC(=O)N... | null | COc1ccc(/C=C2\NC(=O)[C@H](CCCNC(=N)N)NC2=O)cc1OCC[C@H](NC(=O)C[C@](O)(CC(=O)O)C(=O)O)C(=O)O.N[C@@H](CC(=O)O)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>COc1ccc(/C=C2\NC(=O)[C@H](CCCNC(=N)N)NC2=O)cc1OCC[C@H](NC(=O)C[C@](O)(CC(=O)N[C@@H](CC(=O)O)C(=O)O)C(=O)O)C(=O)O.Nc1ncnc2c1ncn2[C... | MKKIVLAYSGGLDTSVILKWLQENYNCEVVVFTADLGQNDDMSAIRQKAAASNVKEIFIEDLKEEFVKDFVFPMFRANTVYEGYYLLGTSIARPLIAKRQIEIAHLTGADAVAHGATGKGNDQIRFEFGYYSCDPNIKVIAPWRQWELTSRNSLIEYAKKHGIDVPLDKASEPPYSIDANLLHTSYEGKSLEDPYIEPDYTMLSKSVIPELASDTPEYIEISFKNGDPHAINNVPLSPANLLQQLNIIGGRHGIGIIDIVENRYIGIKSRGVYETPGGTILLHAHRAIESITLDREAAHLKDEIMPRYAKLIYNGYWWTT... | 0 |
14,773 | 80,255 | UN | 80,255 | Q47318 | NC(=[NH2+])NCCC[C@@H]1NC(=O)/C(=C/C2=CC=C(O)C(OCC[C@H]([NH3+])C(=O)[O-])=C2)NC1=O.O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O>>NC(=[NH2+])NCCC[C@@H]1NC(=O)/C(=C/C2=CC=C(O)C(OCC[C@H](NC(=O)C[C@](O)(CC(=O)[O-])C(=O)[O-])C(=O)[O-])=C2)NC1=O... | null | N=C(N)NCCC[C@@H]1NC(=O)/C(=C/c2ccc(O)c(OCC[C@H](N)C(=O)O)c2)NC1=O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C(O)CC(O)(CC(=O)O)C(=O)O>>N=C(N)NCCC[C@@H]1NC(=O)/C(=C/c2ccc(O)c(OCC[C@H](NC(=O)C[C@](O)(CC(=O)O)C(=O)O)C(=O)O)c2)NC1=O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.... | MNHKDWDLVNRRLVAKMLSELEYEQVFHAESQGDDRYCINLPGAQWRFIAERGIWGWLWIDAQTLRCADEPVLAQTLLMQLKQVLSMSDATVAEHMQDLYATLLGDLQLLKARRGLSASDLINLNADRLQCLLSGHPKFVFNKGRRGWGKEALERYAPEYANTFRLHWLAVKREHMIWRCDNEMDIHQLLTAAMDPQEFARFSQVWQENGLDHNWLPLPVHPWQWQEKIATDFIADFGEGRMVSLGEFGDQWLAQQSLRTLTNASRRGGLDIKLPLTIYNTSCYRGIPGRYIAAGPLASRWLQQVFATDATLVQSGAVIL... | 0 |
14,774 | 75,779 | UN | 75,779 | P98187 | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)[O-].[H]O[H]>>CC/C=C\C/C=C\C[C@@H](O)CC/C=C\CCCCC(=O)[O-] | null | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O.O>>CC/C=C\C/C=C\C[C@@H](O)CC/C=C\CCCCC(=O)O | MSLLSLSWLGLRPVAASPWLLLLVVGASWLLARILAWTYAFYHNGRRLRCFPQPRKQNWFLGHLGLVTPTEEGLRVLTQLVATYPQGFVRWLGPITPIINLCHPDIVRSVINTSDAITDKDIVFYKTLKPWLGDGLLLSVGDKWRHHRRLLTPAFHFNILKPYIKIFSKSANIMHAKWQRLAMEGSTCLDVFEHISLMTLDSLQKCIFSFDSNCQEKPSEYITAIMELSALVVKRNNQFFRYKDFLYFLTPCGRRFHRACRLVHDFTDAVIQERRRTLTSQGVDDFLQAKAKSKTLDFIDVLLLSEDKNGKELSDEDIRA... | 0 |
14,775 | 82,179 | UN | 82,179 | Q40285 | CCCCCCCCCC1=CC(OC(=O)C2=C(CCCCCCCCC)C=C(O)C=C2O)=CC(O)=C1C(=O)[O-].O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C(=O)N1>>CCCCCCCCCC1=CC(OC(=O)C2=C(CCCCCCCCC)C=C(O)C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC(O)=C1C(=O)[O-].O=C1C=CN([C@@H]2O[C@H](COP(=O... | null | CCCCCCCCCc1cc(OC(=O)c2c(O)cc(O)cc2CCCCCCCCC)cc(O)c1C(=O)O.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1>>CCCCCCCCCc1cc(OC(=O)c2c(CCCCCCCCC)cc(O)cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c1C(=O)O.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O... | FCTPMMDLADEFGIPSYIFFASGGGFLGFMLYVQKIHDEENFNPIEFKDSDTELIVPSLVNPFPTRILPSSILNKERFGQLLAIAKKFRQAKGIIVNTFLELESRAIESFKVPPLYHVGPILDVKSDGRNTHPEIMQWLDDQPEGSVVFLCFGSMGSFSEDQLKEIAYALENSGHRFLWSIRRPPPPDKIASPTDYEDPRDVLPEGFLERTVAVGKVIGWAPQVAVLAHPAIGGFVSHCGWNSVLESLWFGVPIATWPMYAEQQFNAFEMVVELGLGVEIDMGYRKESGIIVNSDKIERAIRKLMENSDEKRKKVKEMRE... | 0 |
14,776 | 13,961 | UN | 13,961 | Q1XDK8 | 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)... | MKLAYWMYAGPAHIGTLRIASSFKKVHAIMHAPLGDDYFNVMRSMLERDRDFTPVTASVVDRHVLARGSQEKVVENITRKDREESPDLVILTPTCTSSILQEDLQNFVSRASIETEADVLLADVNHYRVNELQAGDRTLEQIVTFYMEKAKSNNQVLTQKTKTPSVNIIGAVSLGFHNQHDIAELKRLFQDLDIQINQIIPENASVQDLKKLPSAWFNFIPYRETGLMTARYLEKEFNMPYVDITPMGIVQTAACIRSIQQLVNALGAAVDYEKYIDEQTRFISQSAWFSRSIDCQNLTGKKAIVFGDATHAAAITRILH... | 0 |
14,777 | 70,811 | UN | 70,811 | P34736 | 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 | MSSVDQKAISTIRLLAVDAVAAANSGHPGAPLGLAPAAHAVFKKMRFNPKDTKWINRDRFVLSNGHACALLYSMLVLYGYDLTVEDLKKFRQLGSKTPGHPENTDVPGAEVTTGPLGQGICNGVGIALAQAQFAATYNKPDFPISDSYTYVFLGDGCLMEGVSSEASSLAGHLQLGNLIAFWDDNKISIDGSTEVAFTEDVIARYKSYGWHIVEVSDADTDITAIAAAIDEAKKVTNKPTLVRLTTTIGFGSLAQGTHGVHGAPLKADDIKQLKTKWGFNPEESFAVPAEVTASYNEHVAENQKIQQQWNELFAAYKQKY... | 0 |
14,778 | 46,785 | LR | 46,784 | Q79EF1 | *OC[C@@H](COC(=O)CCCCCCC/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)CCCCCCC/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)CCCCCCC/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)CCCCCCC/C=C\C/C=C\C/C=C\CC)OC(*)=O.O.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1 | MRLEISSPQTKLPYPKTEELPFTLQELRNAIPADCFEPSVVRSLGYFFLDVGLIAGFYALAAYLDSWFFYPIFWLIQGTLFWSLFVVGHDCGHGSFSKSKTLNNWIGHLSHTPILVPYHGWRISHRTHHANTGNIDTDESWYPVSEQKYNQMAWYEKLLRFYLPLIAYPIYLFRRSPNRQGSHFMPGSPLFRPGEKAAVLTSTFALAAFVGFLGFLTWQFGWLFLLKFYVAPYLVFVVWLDLVTFLHHTEDNIPWYRGDDWYFLKGALSTIDRDYGFINPIHHDIGTHVAHHIFSNMPHYKLRRATEAIKPILGEYYRYS... | 1 |
14,779 | 59,064 | UN | 59,064 | D7PI18 | CC1=C([O-])OC(CC/C(C)=C/C(C)=C/C2=CC=C([N+](=O)[O-])C=C2)=C(C)C1=O.C[S+](CC[C@H]([NH3+])C(=O)[O-])C[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1O>>COC1=C(C)C(=O)C(C)=C(CC/C(C)=C/C(C)=C/C2=CC=C([N+](=O)[O-])C=C2)O1.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CSCC[C@H]([NH3+])C(=O)[O-])[C@@H](O)[C@H]1O | 2.1.1.353 | CC(=C\c1ccc([N+](=O)[O-])cc1)/C=C(\C)CCc1oc(O)c(C)c(=O)c1C.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>COc1oc(CC/C(C)=C/C(C)=C/c2ccc([N+](=O)[O-])cc2)c(C)c(=O)c1C.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O | MSTPEQWIQEFEALCSRASILFPSGIEDENIRIRALRIAEKAVHQLHTPMTFAEAQTWAPLELFGAGVACEMGIFDVLSKSSVPLSPVDIATELNTDPALVARIMRLLDAHYMVDQVTLGQYAANAITRDYVQPYRKGNVMTQVALMPSYFALPAWLRDNDYKVRPDANHCAWQVGANTTKTFWEMPRTTQEDDFVTFYPFEAVFSTSNVDDILFVDIGGGLGHQAMRVRSAFPRSRGRIIVQDLPQVTNKITTASLPDVEIMDHDMADPQPVKGARVYYLRGVLHNHADHISIKYLSQFAAAMSPESRLLIHEALATDL... | 0 |
14,780 | 56,272 | UN | 56,272 | Q5AEK8 | [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] | MDVKRPKKIFTRSQIIDLIADGKVIVIYKNNVLNLTSWIKKHPGGDKAAYHMVGKDATDEMHAYHCDETVDTFTRFKIGEIEGPRWENLLPPIQGGIYAKGGHYGSLNNKNTSNKKTLDSKLDNDSSNSTSDLECLTTTNSCDSDISETEIANYKGIGFVPSVKPVVPQNQLVSKSNMDIVFPIIDEETKKKVIRNPKTLLNNYDNKLSQEDVMSLPALDYDSQQVLRDKYNELHQTIIDYGLYECDLWDYVREVTKIGSLFLYSLSFLKINQLFLSAVFMGMAWHQGTFIAHDAGHIGITHNYQIDNIFGMLIADWFGG... | 0 |
14,781 | 69,651 | UN | 69,651 | P86215 | CC(C)(OO)C1=CC=CC=C1.[NH3+][C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)[O-])C(=O)[O-].[NH3+][C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)[O-])C(=O)[O-]>>CC(C)(O)C1=CC=CC=C1.[NH3+][C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])C(=O)NCC(=O)[O-])C(=O)[O-].[H]O[H] | null | CC(C)(OO)c1ccccc1.N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O.N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O>>CC(C)(O)c1ccccc1.N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O.O | DFTPVCTTELGRLAPEFAKRVVFIFGPDKKLKLSILYPATTGRNFDEILR | 0 |
14,782 | 79,571 | UN | 79,571 | P15124 | 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 | MTPKDVLQIIKEKEVRYVDLRFADTRGKEQHVTVPASTIDEAAFEEGKMFDGSSIAGWKGINESDMILMPDASTAVMDPFFDDPTLILRCDIVEPATMQGYERDPRSIAKRAEAYMKSTGIADTALFGPENEFFIFDDVRWGANMSGSFYKVDSEEAGWNSEKVYEDGNIGHRPGVKGGYFPVPPVDSFQDLRSAMCNTLEDMGMVVEVHHHEVATAGQCEIGVRCNTLVKKADEVLLLKYAVQNVAHAYGKTATFMPKPLVGDNGNGMHVHQSLAKDGKNLFSGDLYGGLSETALHYIGGIIKHAKALNAFCNASTNSY... | 0 |
14,783 | 79,175 | UN | 79,175 | Q09450 | O=C([O-])C1CCCCC1.CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCC(=O)[O-]>>CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C1CCCCC1.O=C([O-])CCC(=O)[O-] | 2.3.1.315 | CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCC(=O)O.O=C(O)C1CCCCC1>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C1CCCCC1.O=C(O)CCC(=O)O | MPILSKIWAAPAAGILRKTPRNAHQMRLISMTSSMKAKVFNSAEEAVKDIPDNAKLLVGGFGLCGIPENLIQAITKTGQKGLTCVSNNAGVDNWGLGLLLQTRQIKKMISSYVGENGEFARQYLSGELELEFTPQGTLAERIRAAGAGVPAFYTPTGYGTQIQEGGAPIKYSKTEKGKIEVASKAKETRQFNGINYVMEEAIWGDFALIKAWRADTLGNIQFRHAAGNFNNPMCKASKCTIVEVEEIVEPGVIAPNDVHIPSIYCHRLVLGKNYKKPIERPMFAHEGPIKPSTSAAGKSREIIAARAALEFTDGMYANLG... | 0 |
14,784 | 14,769 | UN | 14,769 | Q2KDT0 | [H][C@@]1(C2=CC=CN=C2)CCC[NH+]1C.*.[H]O[H]>>[H][C@@]1(C2=CN=C(O)C=C2)CCC[NH+]1C.[H]*[H] | 1.5.99.4 | CN1CCC[C@H]1c1cccnc1.O>>CN1CCC[C@H]1c1ccc(O)nc1 | MAKTDIARRVYNHAWKLDPIIRSLIDTDFYKLLMLQMIWKLYPDVNASFTLINRTKRVHLAEEIDEGDLREQLDHARTLRLSKKEMIWLAGNSFYGRAQIFEPEFLAWLSNFQLPEYELSKKDGQYVLDFHGSWKETTMWEIPALAIVNELRSRSAMKALGPFTLDVLYARAKAKMWSKVERLKELPGLRISDFGTRRRHSFLWQRWCVEALKEGIGPAFTGTSNVLLAMDSDLEAVGTNAHELPMVAAALAQTDEQLRNAPYKILRDWNKLYGGNLLIVLPDAFGTAAFLRDAPEWVADWTGFRPDSAPPIEGGEKIID... | 0 |
14,785 | 80,759 | UN | 80,759 | P0DQH9 | 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 | ADDKNPLEECFREADYEEFLEIAKVTVLEASERNDKEDWYANLGPMRLPEKLNEFVQETENGWYFIKYPVKPSEEGKSAGQLYEESLRKSAGQLYQESLGKAHDDIFAYEKRFDEIVDGMDKLPTSMYQAIQERINFKPPLPPKKYAMGAITTFTPYQFQHFSEALTAPVGR | 0 |
14,786 | 56,480 | UN | 56,480 | G3FLZ8 | *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... | MVTQVPSSTNILVIGGGPAGAYAAGVLVREGFEVTLLEKDFFPRYHIGESMLPSWRQFLRFIDMEEKMKNYGFLPKPGGAIKLNQDKREGYTDFIANNPENSAWNVVRSEFDQLLLNHVAEQGVKVYEGTRVDEIHFSPEEPTRPVSLTWSKDDKTRGDISFNWLVDASGRNGLMSTKYLKNRTFNRSLKNVAVWGYWTGTNRYAPGTNRENAPWFEALTDETGWVWFIPLHDGTTNVGVVLVEEDSKRKKAEYRAKHEGKSLAEVQYDRYMEDIQLAPGLIGLLGDGKFDGKLQAAGDYSYHASGYAGPHFRIAGDAGA... | 0 |
14,787 | 77,075 | UN | 77,075 | Q6Z5I7 | C=C(C)[C@H]1CC[C@@H](C)[C@]12CC=C(C)CC2.CC1=C(C)C=C2C(=C1)NC1=C(NC(=O)NC1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].CC1=C(C)C=C2C(=C1)NC1=C(NC(=O)NC1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].O=O.O=O>>CC1CCC2C3(C)[CH+]C4CC12CCC4(C)O3.CC1=C(C)C=C2C(=C1)/N=C1/C(=O)[N-]C(=O)N=C1N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)... | null | C=C(C)[C@H]1CC[C@@H](C)[C@]12CC=C(C)CC2.Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2.Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2.O=O.O=O>>CC1CCC2C3(C)CC4CC12CCC4(C)O3.Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C.Cc1cc2nc3c(=O)[... | MEKLKSELWMTAVATCMSLLLYLTILRRRHASGGRSLALPPGPTPLPLIGNLLCLGGIFHQTLAKLARVHGPVMTLKLGLTTAVVVSSAEAAREAYTKHDQRLAARPVPDAFRANGFSERSIVFSPSSDPQWKNLRGIHATHIFSPRALAALRGIRERKVRDIVGYIRTVAGEEMCVREVVHNGVLNLISTSFFSMDMADVRSESARGLRGLIEDIIATVAGPNVSDFFPFLRQLDLQGLRRQTGSHLGIVFGLLDDIIDRRMAETRDHPDKQRHGDFLDALISLASAGKIPRYHITYLLFDVFAAGADTMTTTVEWAMA... | 0 |
14,788 | 65,777 | LR | 65,776 | S5RR11 | 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 | MFRYDQVAHLTDQAYIDDLCDRVEQGLDQGLLPSHVFRDERVFKVEMDRIFTRAWVFVAHETEIPKSGDFVLRKVGLDQVIVTRSAGGAINVLLNHCRHRGTEVCHEDSGNTTHFKCPYHGWIYKNDGDFVGAPAMREAYGGRLDSKKNGLLRAPQVESYHGFIFTCLSESGPSLSEYLGDVSWMLDAIVKLHPAGLKVLGAPERFIIRTDWKIGAENFAGDVYHIATAHLSVNETKYISQDMRDTLKTGGGYRFQNGHGFITHRSSEMVGAEGGLWAYGLNPEIRKQFDLEGFDDAQKKMLLEAPPVAGNIFPNFSYLR... | 1 |
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