Datasets:
GENTEL-Lab
/
AlphaEnzyme-data

Dataset card Data Studio Files
xet
 Community
1
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
13,664
80,263
UN
80,263
O85176
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...
MTNRIVLAYSGGLDTTVAIPYLKKMIDGEVIAVSLDLGQGGENMDNVRQRALDAGAAESIVVDAKDEFAEEYCLPTIKANGMYMKQYPLVSAISRPLIVKHLVEAGKQFNGTHVAHGCTGKGNDQVRFEVGFMDTDPNLEIIAPARDFAWTRDKAIAFAEENNVPIEQSVKSPFSIDQNVWGRAIETGYLEDLWNAPTKDIYAYTEDPALGNAPDEVIISFEGGKPVSIDGRPVSVLQAIEELNRRAGAQGVGRLDMVEDRLVGIKSREIYEAPGAIALIKAHEALEDVTIERELARYKRGVDARWAEEVYDGLWFGPLK...
0
13,665
80,951
UN
80,951
O07584
[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)NCCSC(*)=O)C(*)=O>>[1*][C@H](CC(=O)NCC(=O)[O-])OC([2*])=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)C(*)=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.[1*][C@H](CC(=O)NCC(=O)O)OC([2*])=O
MYKFCANALKVILSLRGGVKVYNKENLPADSGFVIACTHSGWVDVITLGVGILPYQIHYMAKKELFQNKWIGSFLKKIHAFPVDRENPGPSSIKTPIKLLKEGEIVGIFPSGTRTSEDVPLKRGAVTIAQMGKAPLVPAAYQGPSSGKELFKKGKMKLIIGEPLHQADFAHLPSKERLAAMTEALNQRIKELENKLDQL
0
13,666
77,083
UN
77,083
P27786
CC1CCC2C13CCC1(C)OC2(C)C([NH2+]CCCCC[NH+](C)C)C1C3.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>>CC1CCC2C3(C)OC4(C)CC(O)C12CC4C3[NH2+]CCCCC[NH+](C)C.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
CC1CCC2C13CCC1(C)OC2(C)C(NCCCCCN(C)C)C1C3.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>>CC1CCC2C3(C)OC4(C)CC(O)C12CC4C3NCCCCCN(C)C.Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C.O
MWELVGLLLLILAYFFWPKSKTPNAKFPRSLPFLPLVGSLPFLPRRGHMHANFFKLQEKYGPIYSLRLGTTTAVIVGHYQLAREVLVKKGKEFSGRPQMVTLGLLSDQGKGVAFADSSSSWQLHRKLVFSTFSLFRDDQKLEKMICQEANSLCDLILTYDGESRDLSTLIFKSVINIICTICFNISFENKDPILTTIQTFTEGIVDVLGHSDLVDIFPWLKIFPNKNLEMIKEHTKIREKTLVEMFEKCKEKFNSESLSSLTDILIQAKMNAENNNTGEGQDPSVFSDKHILVTVGDIFGAGIETTSSVLNWILAFLVHN...
0
13,667
77,955
UN
77,955
Q20679
[H][C@@]12C/C=C3/C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CCCC(C)C.O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C(=O)N1>>[H][C@@]12CC=C3C[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H...
null
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1>>CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C.O=c1ccn([C@...
MRVLPFLLPLIPVLLATTITDLPELVVVTVATENTDGLKRLLESAKAFDINIEVLGLGEKWNGGDTRIEQGGGQKIRILSDWIEKYKDASDTMIMFVDAYDVVFNADSTTILRKFFEHYSEKRLLFGAEPFCWPDQSLAPEYPIVEFGKRFLNSGLFMGYGPEMHKILKLKSVEDKDDDQLYYTMIYLDEKLRKELNMDLDSMSKIFQNLNGVIEDVELQFKEDGTPEAYNAAYNTKPLIVHGNGPSKSHLNYLGNYLGNRWNSQLGCRTCGLEVKESEEVPLIALNLFISKPIPFIEEVLQKIAEFDYPKEKIALYIYN...
0
13,668
49,236
UN
49,236
P36672
*N[C@@H](CC1=CN=CN1P(=O)([O-])[O-])C(*)=O.OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O>>O=P([O-])([O-])OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O.*N[C@@H](CC1=CNC=N1)C(*)=O
2.7.1.211
*N[C@@H](Cc1cncn1P(=O)(O)O)C(*)=O.OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O>>*N[C@@H](Cc1c[nH]cn1)C(*)=O.O=P(O)(O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
MMSKINQTDIDRLIELVGGRGNIATVSHCITRLRFVLNQPANARPKEIEQLPMVKGCFTNAGQFQVVIGTNVGDYYQALIASTGQAQVDKEQVKKAARHNMKWHEQLISHFAVIFFPLLPALISGGLILGFRNVIGDLPMSNGQTLAQMYPSLQTIYDFLWLIGEAIFFYLPVGICWSAVKKMGGTPILGIVLGVTLVSPQLMNAYLLGQQLPEVWDFGMFSIAKVGYQAQVIPALLAGLALGVIETRLKRIVPDYLYLVVVPVCSLILAVFLAHALIGPFGRMIGDGVAFAVRHLMTGSFAPIGAALFGFLYAPLVITG...
0
13,669
77,075
UN
77,075
P0DO35
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)[...
MDISISWVVIILLVLSYLILMEKWRAAKLPKNLPPGPPKLPVIGHLHLLGGGLPQHVLRGITQKYGPVAHVQLGEVSSVVLSSTEAARQAMKVLDPAFADRFVNIGSRIMWYDSEDIIFSRYNDHWRQIRKICVSELLSPKNVKSFGYIRQDEMARLIRLFESSEGAAINVSEEISKTVCTIVSRVAFGSVVKDQSLLLNLVKESLRMASGFELADLFPSSWLLNLLCFNKYRLWGMRRRLDNFLDGFLEEHRVKKSGEYGGEDIIDVLYRMQKDSQMKVPITNNGIKGFIYDVFSAGTDTSAATILWALSELMRNPEKM...
0
13,670
79,063
UN
79,063
B0JPG5
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.*.*>>CCC1=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)=C4CC)N3)N2)NC1=O.[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>>CCC1=C(C)/C(=C/c2[nH]c(Cc3[nH]c(/C=C4\NC(=O)C(C)=C4CC)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O
MIAVTTPEILPLLHPLIGQLATAILSHWENYLDLSPFELPEGLGYVEGRLEGEKLIIENRCYQTPQFRKMHLELAKLGNGLDILHCVMFPRPEYPLPMFGCDIVSGKAGISAAIVDLSPTSGDKTLPSAYNQALAALPGADFAQARDLPPWGHIFSQYCLFIRPETAAEERQFLQRVTDFLTIHCKCARESQPLSGEEARIYLQGQRDYCSQQQKNDKTRRVLEKAFGWEWAERYMTGVLFDLPD
0
13,671
46,568
UN
46,568
B8A7A3
*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
MQVVGTVRVSGCGAVVAPSRRQCRVSAAVLTAAETATATRRRVTHSMPPEKAEVFRSLEGWARSSLLPLLKPVEECWQPTDFLPDSSSEMFEHQVHELRARAAGLPDEYFVVLVGDMITEEALPTYQTMINTLDGVRDETGASACPWAVWTRTWTAEENRHGDILGKYMYLSGRVDMRMVEKTVQYLIGSGMDPGTENNPYLGFVYTSFQERATAVSHGNTARLARAHGDDVLARTCGTIAADEKRHETAYGRIVEQLLRLDPDGAMLAIADMMHKRITMPAHLMHDGRDMNLFDHFAAVAQRLNVYTARDYADIVEFLV...
0
13,672
74,631
UN
74,631
O35854
CC(=O)OCC[C@H]([NH3+])C(=O)[O-].CC(C)C(=O)C(=O)[O-]>>CC(C)(CC[C@H]([NH3+])C(=O)[O-])C(=O)C(=O)[O-].CC(=O)[O-].[H+]
null
CC(=O)OCC[C@H](N)C(=O)O.CC(C)C(=O)C(=O)O>>CC(=O)O.CC(C)(CC[C@H](N)C(=O)O)C(=O)C(=O)O
MSAAILGQVWTRKLLPIPWRLCVPGRCVSSNFKAADLQVQVTREPQKKPAPSQPLLFGKTFTDHMLMVEWNSKTGWGPPRIQPFQNLTLHPACSGLHYSLQLFEGLKAYKGRDKQVRLFRPWLNMDRMLRSARRLCLPDFDKQELLECIRQLIEVDKDWVPDGNGTSLYVRPVLIGNEPSLGVGMVTQALLFVILCPVGSYFPGDSMTPVSLLADPSFVRAWIGGVGDCKLGGNYGPTVAVQQEAQKKGCEQVLWLYGPDHQLTEVGTMNIFVYWTHEDGELELATPPLDGIILPGVVRQSLLDLARTWGEFRVAERKVT...
0
13,673
66,952
UN
66,952
B4TNU5
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\COP(=O)([O-])OP(=O)([O-])O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)([O-])OP(=O)([O-])O[C@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)O2)C(=O)NC1=O>>CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C...
2.4.1.377
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\COP(=O)(O)OP(=O)(O)O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)O2)c(=O)[nH]c1=O>>CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC/C(C)=C...
MTVLIHVLGSDIPHHNHTVLRFFNDTLAATSEHAREFMVAGEDNGFTESCPALSLRFYGSKKALAQAVIAKAKANRRQRFFFHGQFNTSLWLALLSGGIKPAQFYWHIWGADLYEVSHGLKFRLFYPLRRIAQGRVGGVFATRGDLSYFARQHPGVRGELLYFPTRMDPSLNSMAKERQRAGKLTILVGNSGDRSNEHITALRAVYQQFGDTVNVVVPMGYPANNQAYIDEVRQVGLALFSAENLQILSEKMEFDAYLALLRQCDLGYFIFARQQGIGTLCLLIQADIPCVLNRDNPFWQDMAEQHLPVLFTTDDLNEQV...
0
13,674
74,527
UN
74,527
P50134
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
MAGQTVIVSGLNPAAILQSTIGGATPAPAAENDHTRKVVPLSRDALQDFMVSIITQKLQDEKQPFYVLDLGEVVSLMDQWNAGLPNIRPFYAVKCNPEPSFLSMLSAMGSNFDCASRAEIEYVLSLGISPDRIVFANPCKPESDIIFAAKVGVNLTTFDSEDEVYKIRKHHPKCELLLRIKPMDDGNARCPMGPKYGALPEEVEPLLRTAQAARLTVSGVSFHIGSGDADSKAYLGAIAAAKGVFETAARFGMSKMTVLDIGGGFTSGHQFTTASAAVRSALEQHFHDEQELTIIAEPGRFFAETAFTLATTIIGKRVRG...
0
13,675
80,311
UN
80,311
P05185
[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...
MWLLLAVFLLTLAYLFWPKTKHSGAKYPRSLPSLPLVGSLPFLPRRGQQHKNFFKLQEKYGPIYSFRLGSKTTVMIGHHQLAREVLLKKGKEFSGRPKVATLDILSDNQKGIAFADHGAHWQLHRKLALNAFALFKDGNLKLEKIINQEANVLCDFLATQHGEAIDLSEPLSLAVTNIISFICFNFSFKNEDPALKAIQNVNDGILEVLSKEVLLDIFPVLKIFPSKAMEKMKGCVQTRNELLNEILEKCQENFSSDSITNLLHILIQAKVNADNNNAGPDQDSKLLSNRHMLATIGDIFGAGVETTTSVIKWIVAYLLH...
0
13,676
69,312
UN
69,312
B2TZH9
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
MAQKRLTHLRQLEAESIHIIREVAAEFSNPVMLYSIGKDSSVMLHLARKAFYPGTLPFPLLHVDTGWKFREMYEFRDRTAKAYGCELLVHKNPEGVAMGINPFVHGSAKHTDIMKTEGLKQALNKYGFDAAFGGARRDEEKSRAKERIYSFRDRFHRWDPKNQRPELWHNYNGQINKGESIRVFPLSNWTEQDIWQYIWLENIDIVPLYLAAERPVLERDGMLMMIDDNRIDLQPGEVIKKRMVRFRTLGCWPLTGAVESNSQTLPEIIEEMLVSTTSERQDRVIDRDQAGSMELKKRQGYF
0
13,677
77,955
UN
77,955
Q8NBJ5
[H][C@@]12C/C=C3/C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CCCC(C)C.O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C(=O)N1>>[H][C@@]12CC=C3C[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H...
null
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1>>CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C.O=c1ccn([C@...
MAAAPRAGRRRGQPLLALLLLLLAPLPPGAPPGADAYFPEERWSPESPLQAPRVLIALLARNAAHALPTTLGALERLRHPRERTALWVATDHNMDNTSTVLREWLVAVKSLYHSVEWRPAEEPRSYPDEEGPKHWSDSRYEHVMKLRQAALKSARDMWADYILFVDADNLILNPDTLSLLIAENKTVVAPMLDSRAAYSNFWCGMTSQGYYKRTPAYIPIRKRDRRGCFAVPMVHSTFLIDLRKAASRNLAFYPPHPDYTWSFDDIIVFAFSCKQAEVQMYVCNKEEYGFLPVPLRAHSTLQDEAESFMHVQLEVMVKHP...
0
13,678
27,706
UN
27,706
Q8E0G6
[NH3+][C@H](CO)C(=O)[O-].C[C@@H]([NH3+])C(=O)[O-].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O>>C[C@@H]([NH3+])C(=O)N[C@H](CO)C(=O)[O-].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O.O=P([O-])([O-])O.[H+]
6.3.2.35
C[C@@H](N)C(=O)O.N[C@H](CO)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>C[C@@H](N)C(=O)N[C@H](CO)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)O
MSKETLILLYGGRSAEREVSVLSAESVMRAINYDKFFVKTYFITQVGQFIKTQEFDEMPSSDEKLMTNQTVDLDKMVRPSDIYDDNAIVFPVLHGPMGEDGSIQGFLEVLRMPYVGTNILSSSVAMDKITTKQVLATVGVPQVAYQTYFEGDDLEHAIKLSLETLSFPIFVKPANMGSSVGISKATDESSLRSAIDLALKYDSRILIEQGVTAREIEVGILGNNDVKTTFPGEVVKDVDFYDYDAKYIDNKITMDIPAKVDEATMEAMRQYASKAFKAIGACGLSRCDFFLTKDGQIFLNELNTMPGFTQWSMYPLLWEN...
0
13,679
79,535
UN
79,535
Q884I6
NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO)[C@@H](O)[C@H]2O)C=C1.NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](OP(=O)([O-])[O-])[C@@H]3O)[C@@H](O)[C@H]2O)=C1>>NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@@H](O...
null
NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.Nc1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO)[C@@H](O)[C@H]2O)c(=O)n1>>NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP...
MAVYNYDVVVLGSGPAGEGAAMNAAKAGRKVAMVDSRREVGGNCTHLGTIPSKALRHSVKQIIQFNTNPMFRAIGEPRWFSFPDVLKNAEMVISKQVASRTSYYARNRVDVFFGTGSFADETSVNVVCANGVVEKLVANQIIIATGSRPYRPADIDFSHKRIYDSDTILSLGHTPRKLIIYGAGVIGCEYASIFSGLGVLVELVDNRDQLLSFLDSEISQALSYHFSNNNVMVRHNEEYERVEGLDNGVVLHLKSGKKIKADALLWCNGRTGNTDKLGLENIGLKANGRGQIEVDEAYRTSVSNVYGAGDVIGWPSLASA...
0
13,680
77,755
UN
77,755
Q937N8
C/C=C/CCCCC/C=C/C(C(=O)[O-])C(O)(CC(=O)[O-])C(=O)[O-].[H+].[H+]>>C/C=C/CCCCC/C=C/C1=C(CC(=O)[O-])C(=O)OC1=O.[H]O[H].[H]O[H]
null
C/C=C/CCCCC/C=C/C(C(=O)O)C(O)(CC(=O)O)C(=O)O>>C/C=C/CCCCC/C=C/C1=C(CC(=O)O)C(=O)OC1=O.O.O
MNSANRKPLPGTKLDYFDARAAVEAIQPGAYDKLPYTSRVLAENLVRRCDPATLTDSLLQLVGRKRDLDFPWFPARVVCHDILGQTALVDLAGLRDAIADQGGDPAKVNPVVPVQLIVDHSLAVECGGFDPDAFAKNRAIEDRRNEDRFHFIDWTKQAFKNVDVIPPGNGIMHQINLEKMSPVIHADNGVAYPDTCVGTDSHTPHVDALGVIAIGVGGLEAENVMLGRASWMRLPDIVGVELTGKRQPGITATDIVLALTEFLRKEKVVGAYLEFRGEGASSLTLGDRATISNMAPEYGATAAMFFIDEQTIDYLRLTGR...
0
13,681
77,883
UN
77,883
Q2W3S5
O=C(COP(=O)([O-])[O-])[C@H](O)[C@H](O)COP(=O)([O-])[O-].[H]O[H]>>O=C(COP(=O)([O-])[O-])[C@H](O)[C@H](O)CO.O=P([O-])([O-])O
3.1.3.109
O.O=C(COP(=O)(O)O)[C@H](O)[C@H](O)COP(=O)(O)O>>O=C(COP(=O)(O)O)[C@H](O)[C@H](O)CO.O=P(O)(O)O
MDQSKRYVNLGLREADLIKGGRHVLCAYRMRPRPGHGYVETAAHFAAESSTGTNVEVCTTDDFTRGVDALVYEVDEAEGLMKIAYPVELFDRNIIDGKAMIASFLTLTVGNNQGMSDVENAKMEDFYVPPDFLTLFDGPARNIAHMWKVLGRPEVNGGMVVGTIIKPKLGLRPKPFADACHQFWLGGDFIKNDEPQGNQVFAPFKDTMRLVADSMRRAQDETGQAKLFSANITADDPAEMIARGQFILDTFGENASHVAFLVDGFVAGPTAVTTCRRNFPDTFLHYHRAGHGAITSRQSKRGYSVLVHMKMARLLGASGI...
0
13,682
65,808
UN
65,808
Q8LJJ9
*N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCC)C(*)=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.O=O.O=O.[H+].[H+].[H+].[H+]>>*N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC#C)C(*)=O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H].[H]O[H]....
1.14.19.78
*N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCC)C(*)=O.O=O.O=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1>>*N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC#C)C(*)=O.O.O.O.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1
MQVVGTVRVSGCGAVVAPSRRQCRVSAAVLTAAETATATRRRVTHSMPPEKAEVFRSLEGWARSSLLPLLKPVEECWQPTDFLPDSSSEMFEHQVHELRARAAGLPDEYFVVLVGDMITEEALPTYQTMINTLDGVRDETGASACPWAVWTRTWTAEENRHGDILGKYMYLSGRVDMRMVEKTVQYLIGSGMDPGTENNPYLGFVYTSFQERATAVSHGNTARLARAHGDDVLARTCGTIAADEKRHETAYGRIVEQLLRLDPDGAMLAIADMMHKRITMPAHLMHDGRDMNLFDHFAAVAQRLNVYTARDYADIVEFLV...
0
13,683
13,961
UN
13,961
P37856
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)...
KRSSRDIGTRINQIIPEGEFVGNLNDLPKARFNFVPHREVGLMTAVYLDEEFGMPCISTTPAGIIDTAECIRQMQERVGKWASAPPKEKVDHEPYIDQHTRSV
0
13,684
70,811
UN
70,811
Q9KLW7
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
MNRKQLANAIRALSMDGVQKANSGHPGAPMGMADIAEVLWRSHLNHNPQNPNWADRDRFVLSNGHGSMLIYSLLHLSGYELSIDDLKNFRQLHSKTPGHPEYGYAPGIETTTGPLGQGITNAVGMAIAEKALAAQFNKPGHDIVDHFTYVFMGDGCLMEGISHEACSLAGTLGLGKLIAFWDDNGISIDGHVEGWFSDDTPKRFEAYGWHVIPAVDGHDADAINAAIEAAKAETSRPTLICTKTIIGFGSPNKAGSHDCHGAPLGNDEIKAAREFLGWEYAPFEIPTDIYAAWDAKQAGASKEAAWDEKFAAYAKAYPAE...
0
13,685
46,572
UN
46,572
Q41319
*N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCC)C(*)=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.O=O.[H+].[H+]>>*N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCC=C)C(*)=O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H].[H]O[H]
1.14.19.40
*N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCC)C(*)=O.O=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1>>*N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCC=C)C(*)=O.O.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1
MALNFNSPTFQSIKTTRRPCSPLRSPRVFMASTLRPPSVEDGNVKKPFSPPREVHVQVTHSMPPEKREIFDSLHGWADNNILVHLKPVEKCWQASDFLPDPASEGFEDQVKELRERCKEIPDDYFVVLVGDMITEEALPTYQTMLNTLDGVRDETGASLTPWAIWTRAWTAEENRHGDLLNKYLYLSGRVDMRQIEKTIQYLIGSGMDPRTENNPYLGFIYTSFQERATFISHGNTARHAKEHGDMKLAQVCGIIAADEKRHETAYTKIVEKLFEVDPDGTVLAVADMMRKKISMPAHLMYDGRDDNLFEHFSTVAQRLG...
0
13,686
64,164
UN
64,164
Q827H4
C[C@]([NH3+])(CO)C(=O)[O-]>>C[C@H]([NH3+])C(=O)[O-].[H]C([H])=O
null
C[C@](N)(CO)C(=O)O>>C=O.C[C@H](N)C(=O)O
MSPTYDVIVIGLGGMGSAAAHHLSARGARVLGLEKFGPVHNRGSSHGGSRITRQSYFEDPAYVPLLLRSYELYEEVERSTGREVATLSGGVMVGRPDSLTVAGSLRSATQWDLPHEMLDAKEIRRRFPTLNPSNDEVALYEKKAGLVRPENMVAAHLQLATRQGAELHFEEPMTRWEPYRDGVRVHTAENTYTAGQLVICPGAWAPQLLTDLGVPFTIERQVMYWFQPRHGVGPFRPENHPIYIWEDAEGVQVYGFPSIDGPDLGAKVAFFRKGVVCTPETIDRTVHDHEVQAMADHMSRCIPDLPGTFLKAATCMYSNT...
0
13,687
80,947
UN
80,947
P64686
*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
MSHTDLTPCTRVLASSGTVPIAEELLARVLEPYSCKGCRYLIDAQYSATEDSVLAYGNFTIGESAYIRSTGHFNAVELILCFNQLAYSAFAPAVLNEEIRVLRGWSIDDYCQHQLSSMLIRKASSRFRKPLNPQKFSARLLCRDLQVIERTWRYLKVPCVIEFWDENGGAASGEIELAALNIP
0
13,688
13,961
UN
13,961
A9BEG6
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)...
MTTTLASRPDGEGSVQVKLDPKVNIEEGALVIAVYGKGGIGKSTTSSNLSAAFSKLGKKVLQIGCDPKHDSTFTLTHKMVPTVIDILEEVDFHSEELRPEDFMFKGFNGVQCVESGGPPAGTGCGGYVTGQTVKLLKEHHLLEDTDVVIFDVLGDVVCGGFAAPLQHANYCLIVTANDFDSIFAMNRIVAAINAKAKNYKVRLGGVIANRSADLDQIEKFNERTGLKTMAHFRNVDAIRRSRLKKCTIFEMDPEEEGVKEVQNEYLSLAKKMIDNVEPLEVEPLKDREIFDLLGFD
0
13,689
78,979
UN
78,979
A0A1B4XBG5
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
MSLYGLFTLATSYLPSVGGGAALAAKAQLGKARSLYVPDLFAGILSGEPTRNPHEEEVGRASEEWTKKLVKMDKRTAKILTKANFAYLVSLAAPLADEEAFRMGVDWCIWAFVFDDQFDEGPMRDKGIEAAREIIDMLATQDDTCALVDPVVHPLQYMFQSVWQRFKARNPSPGLERRWKYTHKRCLFAILKQVDATQRKITLDVDLDDYMETRRHSIGAYSLFAVVEWAHAIKAPEEAMNHPSVQTCERVAADLTWLVNDVLSYKKDLAFGVEHNLTRLLMRQGLTEQGAMDKLGQLMESNQRDWEDAIAELPHWEDEE...
0
13,690
79,651
UN
79,651
Q01103
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
MINKTYESIASAVEGITDGSTIMVGGFGTAGMPSELIDGLIATGARDLTIISNNAGNGEIGLAALLMAGSVRKVVCSFPRQSDSYVFDELYRAGKIELEVVPQGNLAERIAAAGSGIGAFFSPTGYGTLLAEGKETREIDGRMYVLEMPLHADFALIKAHKGDRWGNLTYRKAARNFGPIMAMAAKTAIAQVDQVVELGELDPEHIITPGIFVQRVVAVSGAAASSIAKAI
0
13,691
77,955
UN
77,955
U5NH37
[H][C@@]12C/C=C3/C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CCCC(C)C.O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C(=O)N1>>[H][C@@]12CC=C3C[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H...
null
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1>>CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C.O=c1ccn([C@...
MGSQETNLPPHVLIFPLPIQGHVNSMLRLAELLCLAELDITFIVSEFSHSRLIKHTNVASRFARYPGFQFQPISDGLPDDHPRAGERVMDILPSTKNVTGPLFKQMMVENKCFSSATRRPITCIIADGVLSFAGDFAQEKGIPLIYFRTVSACSFWACFCMPELIESGDIPIKGNGMDLIVKSVPGMETFLRRRDLPGFCRVNDINEPKLQILKTETRQTTRAQAAILNTFEDLEGPILSQIRKHMPRLFTIGPSHSHLTSRLETKNIKTLISSGSFWEEDRSCVDWLDAQPPRSVLYVSFGSITVVTRDQLLEFWYGLV...
0
13,692
80,235
UN
80,235
Q50LE0
[H][C@@]12CC[C@H](C(C)C)[C@@]1(C)CC[C@]1(C)/C3=C/C[C@]4([H])[C@](C(=O)[O-])([C@H](O)C[C@H](O)[C@@]4(C)C(=O)[O-])[C@@]3([H])CC[C@@]21C.CC1=C(C)C=C2C(=C1)NC1=C(NC(=O)NC1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].O=O>>[H][C@@]12CC[C@H](C(C)C)[C@@]1(C)CC[C@]1(C)/C3=C/C[C@]4([H])[C@](C(=O)[O-])([C@H](O)[C@@H](O)[C@H](O...
null
CC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)C3=CC[C@H]4[C@](C)(C(=O)O)[C@@H](O)C[C@@H](O)[C@]4(C(=O)O)[C@H]3CC[C@@]21C.Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2.O=O>>CC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)C3=CC[C@H]4[C@](C)(C(=O)O)[C@@H](O)[C@H](O)[C@@H](O)[C@]4(C(=O)O)[C@H]3CC[C@@]21C.Cc1cc...
MAIFLIIFVVFFGFCILSTPLFRWIDIVYNKKNLPPGTMGWPIFGETREFLNQGPNFMKNQRARYGNFFKSHILGCPTVVSMDAGLNVYILNNEAKGLIPGYPQSMLDILGKCNIAAVHGATHKYIRGALLSLINPTMIKDHILPKIDKFMRSHLSGWDNCNVIDIQQMTKEMAFFSSLDQIGGFATSSSIAQEFRAGFLNIALGTISLPINFPTTNYYRGLQGRKTIVKLLRKIIEDRRGSKKIQQDMLGLMMNEEAKNRYTLSDEELIDQIITIMYSGFETVSTTSMMAVKYLHDHPKALEEIRKEHFAIREKKSLED...
0
13,693
77,183
UN
77,183
Q9ZAA1
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
MIYAAPGTPGAVVTFKPRYGNYIGGEFVPPVKGQYFTNTSPVNGQPIAEFPRSTAEDIDKALDAAHAAADAWGRTSVQERSNILLKIADRIEQNLELLAVTETWDNGKAVRETLNADIPLAADHFRYFAGCIRAQEGSAAEINDSTVAYHIHEPLGVVGQIIPWNFPLLMAAWKLAPALAAGNCVVLKPAEQTPLGICVLLELIGDLLPPGVLNVVQGFGREAGEALATSKRIAKIAFTGSTPVGSHILKCAAESIIPSTVELGGKSPNIYFEDIMQAEPAFIEKAAEGLVLAFFNQGEVCTCPSRALVQESIYPAFMEE...
0
13,694
76,083
UN
76,083
O55127
CC1=C[C@H](O/C=C(C)\C=C\C2=C(C)CCCC2(C)C)OC1=O.CC1=C(C)C=C2C(=C1)NC1=C(NC(=O)NC1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].O=O>>CC1=C[C@H](O/C=C(\C=C\C2=C(C)CCCC2(C)C)CO)OC1=O.CC1=C(C)C=C2C(=C1)/N=C1/C(=O)[N-]C(=O)N=C1N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].[H]O[H].[H+]
null
CC1=C[C@H](O/C=C(C)\C=C\C2=C(C)CCCC2(C)C)OC1=O.Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2.O=O>>CC1=C[C@H](O/C=C(\C=C\C2=C(C)CCCC2(C)C)CO)OC1=O.Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C.O
MGLPALLASALCTFVLPLLLFLAALKLWDLYCVSSRDRSCALPLPPGTMGFPFFGETLQMVLQRRKFLQMKRRKYGFIYKTHLFGRPTVRVMGADNVRRILLGEHRLVSVHWPASVRTILGAGCLSNLHDSSHKQRKKVIMQAFSREALQCYVLVIAEEVSSCLEQWLSCGERGLLVYPEVKRLMFRIAMRILLGCEPGPAGGGEDEQQLVEAFEEMTRNLFSLPIDVPFSGLYRGVKARNLIHARIEENIRAKIRRLQATEPDGGCKDALQLLIEHSWERGERLDMQALKQSSTELLFGGHETTASAATSLITYLGLYP...
0
13,695
79,219
UN
79,219
A0A0N9HQ36
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
MGSTAPLRLPVIDLSMKNLKPGTTSWNSVRTQVREALEEYGCFEAVIDAVSPELQKAVCNKGHELLNLPLETKMLNGNKPEYDGFTSIPNLNEGMGVGRITDLEKVERFTNLMWPEGNKDFCETVYSYGKRMAEVDHILKMMVFESFGMEKHFDSFCESTNYLLHFMRYQQPGKDGRSPALSLHKDKSILTIVNQNDVKGLEFETKDGEWILPTADNHIVLLGDCFMAWSNGRLHSPLHRVTLVANQARLSTSSFSFPKDIIETPAELVDEEHPLLFNPFEITELLAYCFTKEGAKAVCDLKQYKAYTGA
0
13,696
76,083
UN
76,083
Q4H4C3
CC1=C[C@H](O/C=C(C)\C=C\C2=C(C)CCCC2(C)C)OC1=O.CC1=C(C)C=C2C(=C1)NC1=C(NC(=O)NC1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].O=O>>CC1=C[C@H](O/C=C(\C=C\C2=C(C)CCCC2(C)C)CO)OC1=O.CC1=C(C)C=C2C(=C1)/N=C1/C(=O)[N-]C(=O)N=C1N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].[H]O[H].[H+]
null
CC1=C[C@H](O/C=C(C)\C=C\C2=C(C)CCCC2(C)C)OC1=O.Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2.O=O>>CC1=C[C@H](O/C=C(\C=C\C2=C(C)CCCC2(C)C)CO)OC1=O.Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C.O
MALSQFVPFSATELLLASAIFCLVFWVLRGSRPRVPKGLKSPPEPWGWPLLGHVLTLGKNPHLALSRMSQLYGDVLQIRIGSTPVLVLSGLDTIRQALVRQGDDFKGRPDLYSFTFITDGQSMSFSPDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAEALISRLQELMAGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNSHEFVESASSGNPVDFFPILRYLPNPALQRFKAFNQRFRRFLQKTVQEHYQDFDKNSVQDITGALFKHSKKGPRASGNLIPQEKIVNLVNDIFGAEFD...
0
13,697
82,167
UN
82,167
Q9I1L4
CN1C(=O)C2=CC=CN2C=C1CCCNC(N)=[NH2+].O=C([O-])CCC(=O)C(=O)[O-].O=O>>CN1C(=O)C2=C(O)C=CN2C=C1CCCNC(N)=[NH2+].O=C([O-])CCC(=O)[O-].O=C=O
null
Cn1c(CCCNC(=N)N)cn2cccc2c1=O.O=C(O)CCC(=O)C(=O)O.O=O>>Cn1c(CCCNC(=N)N)cn2ccc(O)c2c1=O.O=C(O)CCC(=O)O.O=C=O
MNAYLSDQPVRLSPLRDEQGNQPRFGLLLEPGRPGMHVGELPAQWLKGLARSHHLLLLRGFAAFADAESLTRYCHDFGEVMLWPFGAVLELVEQEGAEDHIFANNYVPLHWDGMYLETVPEFQVFHCVDAPGDSDGGRTTFSSTPAALQLADSSELELWRRASGRYQRSAAHYSSRSAAPIVERHPRREFPILRFCEPPVEGDASFINPSEFHYDGIAPEQRGELLASLRRCLYHPQAHYAHRWRSDDLVIADNLTLLHGREAFAHRAPRHLRRVHIHAEPALRNPHLQRD
0
13,698
76,491
UN
76,491
B5FUG3
COC1=C(O)C=CC(/C=C/C(=O)[O-])=C1.[H]O[H]>>[H]C(=O)C1=CC(OC)=C(O)C=C1.CC(=O)[O-]
4.1.2.65
COc1cc(/C=C/C(=O)O)ccc1O.O>>CC(=O)O.COc1cc(C=O)ccc1O
MQPNDITFFQRFQNDILAGRKTITIRDVSESHFKAGDVLRVGRFEDDGYFCTIEVTGTSTVTLDTLNEKHAQQENMSLDELKRVIAEIYPNQTQFYVIDFKCLR
0
13,699
80,983
UN
80,983
B7L683
[H][C@@]12CCC(C)=C(COP(=O)([O-])OP(=O)([O-])[O-])[C@@]1(C)CCCC2(C)C.[H]O[H]>>[H][C@@]12CCC(C)=C(COP(=O)([O-])[O-])[C@@]1(C)CCCC2(C)C.O=P([O-])([O-])O.[H+]
null
CC1=C(COP(=O)(O)OP(=O)(O)O)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1.O>>CC1=C(COP(=O)(O)O)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1.O=P(O)(O)O
MARLAAFDMDGTLLMPDHHLGEKTLSTLARLRERDITLTFATGRHALEMQHILGALSLDAYLITGNGTRVHSLEGELLHRDDLPADVAELVLYQQWDTRASMHIFNDDGWFTGKEIPALLQAFVYSGFRYQIIDVKKMPLGRVTKICFCGGHDDLTRLQIQLYEALGERAHLCFSATDCLEVLPVGCNKGAALTVLTQHLGLSLRDCMAFGDAMNDREMLGSVGSGFIMGNAMPQLRAELPHLPVIGHCRNQAVSHYLTHWLDYPHLPYSPE
0
13,700
69,252
UN
69,252
P51690
C=CC/C([S-])=N/OS(=O)(=O)[O-]>>N#CCC1CS1.O=S(=O)([O-])[O-]
4.8.1.8
C=CC/C(S)=N/OS(=O)(=O)O>>N#CCC1CS1.O=S(=O)(O)O
MLHLHHSCLCFRSWLPAMLAVLLSLAPSASSDISASRPNILLLMADDLGIGDIGCYGNNTMRTPNIDRLAEDGVKLTQHISAASLCTPSRAAFLTGRYPVRSGMVSSIGYRVLQWTGASGGLPTNETTFAKILKEKGYATGLIGKWHLGLNCESASDHCHHPLHHGFDHFYGMPFSLMGDCARWELSEKRVNLEQKLNFLFQVLALVALTLVAGKLTHLIPVSWMPVIWSALSAVLLLASSYFVGALIVHADCFLMRNHTITEQPMCFQRTTPLILQEVASFLKRNKHGPFLLFVSFLHVHIPLITMENFLGKSLHGLYG...
0
13,701
64,856
UN
64,856
A0A858E4Y8
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
MSIYDDILKQFPTIDEWSDSDQKIMLEPYTYLGINTAKELPSMVTKALNHWYQVPQPALDIVLQIVGPIHAACLLIDDIQDDSDLRGGNPVAHKVYGVAQTINTATYVCFDAYHKISELRPFLKSPETIDLWSIINDEIAALHRGQWIDLYWRDSLICPTEEEYLRMIHNKTGAIFRLPMRLLQALSPVDSVPDCFPLVNIVGILVQIRNDLLSLSADFTKDKGFCEDFSEGKFSFPIIHSVKADSSNSLLMDILRLRPKDEATKMKALRYMKDQTKSLDHTFDVLCKLEKTAKQELEKLGGNSELSSIFERIHLSPTPE...
0
13,702
78,987
UN
78,987
Q9FJ32
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
MHGRKREEDPNPEETAAKALELRSLQSQFMSNHHQKIYTKEAIQLSAKLLITNPEFYTAWNYPKLAFESRLDEDSDPSLVNSIIDEELGVVQNALERNVKSYGAWYHRKWVLSKKGHYYPSLENELQLLNDYQKQAHQKQDDEKQDDPSRNFHAWNYRRFVVELTKTSEEDELQYTTDMISDISFTIYSAWHYRSVLVSSLVAKKADGFMPKETIRRELDYVHSAIFTLEEKQSGWFYYLWLLDQTVKMEIPLRFSSWPSDGSIIILSGPDCFNASSSTTKLTTFCSESGSFPLILYFDQAVSGVSSSTVTIGSELKDLV...
0
13,703
79,227
UN
79,227
Q4WZ67
[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
MTKTDAQGRHPQETATHAATTDEEVQDQWRAPFEVLSRTLVFQHEDHRLWWERAASKLATYLRLAKYSVGSQYQHLLMFYSVYAPNLGPWPNDKRDNVHWVCGICPGGENLEISMNYQQGAKCTVRIAAETITPAAGTDKDPFNLTAEKKMIEDLKALQPNLNFTWFNHFQREVLVPEEVALNNDEIISKVPFKNQRLHGLDLSEGAFMLKSYFMPAIRSAITGVENTQIMFESIRKLNLKNANFISALSTLEDWMVPTNGRFMEYWDGISYDAVDACKARIKIYTGIRMKSIEHARDVWTLGGRLQGEDIEKGFDLVAR...
0
13,704
76,503
UN
76,503
Q0HJR6
COC1=CC(/C=C/C(=O)[O-])=CC=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.[H]O[H]>>COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=CC(C=O)=C1.CC(=O)[O-]
4.1.2.65
COc1cc(/C=C/C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.O>>CC(=O)O.COc1cc(C=O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
MLTKITFFERFEQDILSGAKTITLRDEAESHVFAGQILPVSTFEDDRWFCDIEVIEVVPVLFSELTEQHAAQENMTLPELRRVIQEIYPGLEQLFQIRFCLVQ
0
13,705
78,979
UN
78,979
Q9FT37
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
MAQLSFNAALKMNALGNKAIHDPTNCRAKSEGQMMWVCSKSGRTRVKMSRGSGGPGPVVMMSSSTGTSKVVSETSSTIVDDIPRLSANYHGDLWHHNVIQTLETPFRESSTYQERADELVVKIKDMFNALGDGDISPSAYDTAWVARVATISSDGSEKPRFPQALNWVFNNQLQDGSWGIESHFSLCDRLLNTTNSVIALSVWKTGHSQVEQGTEFIAENLRLLNEEDELSPDFEIIFPALLQKAKALGINLPYDLPFIKYLSTTREARLTDVSAAADNIPANMLNALEGLEEVMDWKKIMRFQSKDGSFLSSPASTACV...
0
13,706
69,336
UN
69,336
Q46856
*/C=C/SO>>*C/C=[S+]\[O-]
5.3.99.12
*/C=C/SO>>*C/C=[S+]\[O-]
MNNFNLHTPTRILFGKGAIAGLREQIPHDARVLITYGGGSVKKTGVLDQVLDALKGMDVLEFGGIEPNPAYETLMNAVKLVREQKVTFLLAVGGGSVLDGTKFIAAAANYPENIDPWHILQTGGKEIKSAIPMGCVLTLPATGSESNAGAVISRKTTGDKQAFHSAHVQPVFAVLDPVYTYTLPPRQVANGVVDAFVHTVEQYVTKPVDAKIQDRFAEGILLTLIEDGPKALKEPENYDVRANVMWAATQALNGLIGAGVPQDWATHMLGHELTAMHGLDHAQTLAIVLPALWNEKRDTKRAKLLQYAERVWNITEGSDD...
0
13,707
64,872
UN
64,872
B4TBY0
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
MQNITDSWFVQGMIKATSDAWLKGWDERNGGNLTLRLDEADIAPFAANFHEKPRYIALSQPMPLLANTPFIVTGSGKFFRNVQLDPAANLGVVKIDSDGAGYHILWGLTHDAVPTSELPAHFLSHCERIKATHGKDRVIMHCHATNLIALTYVLENNTALITRKLWEGSTECLVVFPDGVGILPWMVPGTDEIGQATAQEMQKHSLVLWPFHGVFGSGPTLDETFGLIDTAEKSAEVLVKIYSMGGMKQTITREELVALGKRFGVTPLASAVALY
0
13,708
80,323
UN
80,323
A4FQD4
[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]...
MALLRETERADGVAPVGEHVILRLKAHLDVVHQIEPVQADVPGSEHFVVRDSGGELAGYAHVDTAEEKTAGQLVAELAVHPRHRRRGAGARLVEALLDRADLPVEPSPDDTDTARLRIWSHGEHPGALRLAERYGLVRARELWRMGRPLDTELAEAELPPGVTIRAFRTGVDEPAVVRVNHRAFSWHPEQGAMTEDDLRLKEREDWFDPAGFLLAVDSHDTLLGFHWTKIHPDGTGEVYVVGVDPDTQGNGLGRSLTVAGLRHLRAKGCAQVMLYVEADNTAAIKVYQRLEFARWDTDVQFGR
0
13,709
81,995
UN
81,995
Q6WFW1
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...
MAKEHIVLFPFMSQGHIIPFLSLAKLISERHPTYTITLLNTPLNILNLQSTLPPNSNIHLKSLPYRSSDFGLPPDRENTDSLPFPLVLSFYQSGESLATHFTHFVSDLTRQNHDTPPLLIVADVFFGWTAEIAKRLNTHVSFSTCGAYGTAAYFSVWLHLPHAETDLPDFTAPGFPETFKLQRNQLSTYLKKADGSDRWSKFFQRQISLSLTSDAMICNTVEEMEAEGLRLLRKNTGLRVWSIGPLLPSLPPNSSLGRSGRKSGMEVSYIMKWLDSHPPGSVVYVSFGSIHDTAAQMTSLAVGLAVELATRSCGHSGRRF...
0
13,710
78,091
UN
78,091
Q54D73
C=CC1=C(C)/C2=C/C3=C(C=C)C(C)=C4/C=C5/C(C)=C(CCC(=O)[O-])C6=[N+]5[Fe-2]5(N43)N3C(=C6)C(CCC(=O)[O-])=C(C)/C3=C/C1=[N+]25.[N]=O.O=O>>C=CC1=C(C)/C2=C/C3=C(C=C)C(C)=C4/C=C5/C(C)=C(CCC(=O)[O-])C6=[N+]5[Fe-]5(N43)N3C(=C6)C(CCC(=O)[O-])=C(C)/C3=C/C1=[N+]25.O=[N+]([O-])[O-]
null
C=CC1=C(C)C2=Cc3c(C=C)c(C)c4n3[Fe-2]35n6c(c(C)c(CCC(=O)O)c6=CC6=[N+]3C(=C4)C(C)=C6CCC(=O)O)=CC1=[N+]25.O=O.[N]=O>>C=CC1=C(C)C2=Cc3c(C=C)c(C)c4n3[Fe-]35n6c(c(C)c(CCC(=O)O)c6=CC6=[N+]3C(=C4)C(C)=C6CCC(=O)O)=CC1=[N+]25.O=[N+]([O-])[O-]
MLSQKSIQIIKSTVPLLEKYGVEITSLFYKNMFEAQPQFLNIFNHSNQRNQKQPVALANTILQSAIHIEKLNEINLMPIVHKHVALGITPEMYPIVGAHLLGAMKTVMQDEATPEIMAAWTEAYRAVAQAFMDAEEDLYFETEEQIGGWKDTREFVVDRIEEETPLIKSFYFKAYDGKEIATYIPGQYITVKITLPGDGVDVPTDKMRTYVRHYSLSDKPNDEYYRISIKKELGKNTPNGIVSNHFHNNIKVGDVVPMSVPAGDFVVNNDSETPILLICGGVGINPLFSMLKETLVQQPDRKINFIFSTHCESSQPFKEE...
0
13,711
78,491
UN
78,491
Q7TYQ9
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@...
MNPTLAVLGAGAKAVAVAAKASVLRDMGVDVPDVIAVERIGVGANWQASGGWTDGAHRLGTSPEKDVGFPYRSALVPRRNAELDERMTRYSWQSYLIATASFAEWIDRGRPAPTHRRWSQYLAWVADHIGLKVIHGEVERLAVTGDRWALCTHETTVQADALMITGPGQAEKSLLPGNPRVLSIAQFWDRAAGHDRINAERVAVIGGGETAASMLNELFRHRVSTITVISPQVTLFTRGEGFFENSLFSDPTDWAALTFDERRDALARTDRGVFSATVQEALLADDRIHHLRGRVAHAVGRQGQIRLTLSTNRGSENFET...
0
13,712
81,079
UN
81,079
Q9M6E2
[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...
MAGSTEFVVRSLERVMVAPSQPSPKAFLQLSTLDNLPGVRENIFNTLLVYNASDRVSVDPAKVIRQALSKVLVYYSPFAGRLRKKENGDLEVECTGEGALFVEAMADTDLSVLGDLDDYSPSLEQLLFCLPPDTDIEDIHPLVVQVTRFTCGGFVVGVSFCHGICDGLGAGQFLIAMGEMARGEIKPSSEPIWKRELLKPEDPLYRFQYYHFQLICPPSTFGKIVQGSLVITSETINCIKQCLREESKEFCSAFEVVSALAWIARTRALQIPHSENVKLIFAMDMRKLFNPPLSKGYYGNFVGTVCAMDNVKDLLSGSLL...
0
13,713
59,232
UN
59,232
C9K1X5
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-].[H]O[H]>>[H][C@]12CC[C@@H](C)[C@]3([H])CC[C@]4(C)CCC[C@](C)(C[C@]1(C)O)[C@@]4([H])[C@]23[H].O=P([O-])([O-])OP(=O)([O-])O
4.2.3.202
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O.O>>C[C@@H]1CC[C@@H]2[C@@H]3[C@H]1CC[C@]1(C)CCC[C@](C)(C[C@]2(C)O)[C@@H]31.O=P(O)(O)OP(=O)(O)O
MTTGLSTAGAQDIGRSSVRPYLEECTRRFQEMFDRHVVTRPTKVELTDAELREVIDDCNAAVAPLGKTVSDERWISYVGVVLWSQSPRHIKDMEAFKAVCVLNCVTFVWDDMDPALHDFGLFLPQLRKICEKYYGPEDAEVAYEAARAFVTSDHMFRDSPIKAALCTTSPEQYFRFRVTDIGVDFWMKMSYPIYRHPEFTEHAKTSLAARMTTRGLTIVNDFYSYDREVSLGQITNCFRLCDVSDETAFKEFFQARLDDMIEDIECIKAFDQLTQDVFLDLIYGNFVWTTSNKRYKTAVNDVNSRIQ
0
13,714
17,809
UN
17,809
Q7NXR0
C=CC1=C(C)/C2=C/C3=C(C=C)C(C)=C4/C=C5/C(C)=C(CCC(=O)[O-])C6=[N+]5[Mg-2]5(N43)N3C(=C6)C(CCC(=O)[O-])=C(C)/C3=C/C1=[N+]25.C[S+](CC[C@H]([NH3+])C(=O)[O-])C[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1O>>C=CC1=C(C)/C2=C/C3=[N+]4C(=CC5=C(CCC(=O)OC)C(C)=C6/C=C7/C(C=C)=C(C)C8=[N+]7[Mg-2]4(N56)N2/C1=C\8)C(CCC(=O)[O-])=C3C.N...
2.1.1.11
C=CC1=C(C)C2=Cc3c(C=C)c(C)c4n3[Mg-2]35n6c(c(C)c(CCC(=O)O)c6=CC6=[N+]3C(=C4)C(C)=C6CCC(=O)O)=CC1=[N+]25.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>C=CC1=C(C)C2=[N+]3C1=Cc1c(C)c(CCC(=O)OC)c4n1[Mg-2]31n3c(c(C)c(C=C)c3=C2)=CC2=[N+]1C(=C4)C(CCC(=O)O)=C2C.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)...
MNPVRQPYDLAAPAPNGMRRGRTTGSCATAAVKAALMLLLDGVDADEVFISLPDPDFYLAVPVESVAWLDENTVRAEVLKYAGDDPDNTDGATIFAEVKLNSSGALRFLAAPGVGMVTQPGLRIPPGEPAINPVPRQMMRMAVDEVLAGRPDPGIDLAIGCVDGDKIAKRTFNPMLGIVGGISILGTSGIVEPMSQAAWIASIEVYVRVALGELPPAIAFTPGKIGRGYAADTLGLEKKQVVQIANFVGDSLDFAESVLIEQGRILDTLWVLGHPGKIAKLLDGVWDTHSGKSGMAMDAVAGVAADLGYPSELVAQIKQA...
0
13,715
47,044
UN
47,044
Q9ZLE4
C[N+](C)(C)CC(=O)CC(=O)[O-].CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]>>CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[N+](C)(C)C.CC(=O)CC(=O)[O-]
2.3.1.317
CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.C[N+](C)(C)CC(=O)CC(=O)O>>CC(=O)CC(=O)O.CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[N+](C)(C)C
MREAIIKRAAKELKEGMYVNLGIGLPTLVANEVSGMNIVFQSENGLLGIGAYPLEGGVDADLINAGKETITVVPGASFFNSADSFAMIRGGHIDLAILGGMEVSQNGDLANWMIPKKLIKGMGGAMDLVHGAKKVIVIMEHCNKYGESKVKKECSLPLTGKGVVHQLITDLAVFEFSNNAMELVELQEGVSLDQVKEKTEAEFEVHL
0
13,716
13,961
UN
13,961
P37847
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)...
KRLLQNLGIEINQVIPEGGFIEDLQNLPKAWFNFVPYREIGLMTAVYLEKEFGMPYVSITPMGIVDTAECIRQIQKHINELAVVSLEETVDYEPYIYQQTKFV
0
13,717
78,663
UN
78,663
Q0UK51
[H][C@]12CC[C@H]3C(=O)OC4C(=O)C[C@@](C)(CC1(C)C)[C@@]432.NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](OP(=O)([O-])[O-])[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O.[H+]>>CC1(C)C[C@]2(C)CC(=O)O[C@H]3OC(=O)[C@@H]4CC[C@@H]1[C@]342.NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O...
null
CC1(C)C[C@]2(C)CC(=O)C3OC(=O)[C@@H]4CC[C@@H]1[C@]342.NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O>>CC1(C)C[C@]2(C)CC(=O)O[C@H]3OC(=O)[C@@H]4CC[C@@H]1[C@]342.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)nc...
MAAYFLLGLYGSTLVYRLIFHPLNRFPGPLAARISDLWLCTQLGGHDMHHLSERLSKRYGEFVRIGSSTLMLTHPKAVAAIYGPGSPCRKGTFYDLEQPNRGIATRDESLHAGRRRVWSRGFGDKALRTYEPRVAAYVHMLLGRLADARGKPVDMARLAEAFAFDTMGDLGLGADFGMLRQARTHEAVEQLVQGMTIMGRRLPMWLMRLLIDVAQALVPTAATTGFLGFCHHHLDRFMADPRRSERPSLMAPLLSHYEKQNIADRDLSILRNDCRFIIIAGSDTVAATLTFAFFYLAKHPGHVTRLREELFPLRAADGTF...
0
13,718
78,783
UN
78,783
O23401
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
MDPSRHTHVMLVSFPGQGHVNPLLRLGKLIASKGLLVTFVTTEKPWGKKMRQANKIQDGVLKPVGLGFIRFEFFSDGFADDDEKRFDFDAFRPHLEAVGKQEIKNLVKRYNKEPVTCLINNAFVPWVCDVAEELHIPSAVLWVQSCACLTAYYYYHHRLVKFPTKTEPDISVEIPCLPLLKHDEIPSFLHPSSPYTAFGDIILDQLKRFENHKSFYLFIDTFRELEKDIMDHMSQLCPQAIISPVGPLFKMAQTLSSDVKGDISEPASDCMEWLDSREPSSVVYISFGTIANLKQEQMEEIAHGVLSSGLSVLWVVRPPM...
0
13,719
49,412
UN
49,412
Q9TUD6
C[C@@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3/C=N\C4=C3N=C(N)NC4=O)[C@H](O)[C@@H]2O)[C@@H](O)C[C@@H]1O.CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O>>CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@@H](O)C[C@@H]1O...
2.4.1.341
CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.C[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)[C@H](O)[C@@H]2O)[C@@H](O)C[C@@H]1O>>CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@@H](O)C[C@@H]1O.Nc1nc...
MWPPSHRQLCLAFLLVCVLSVISFFLHIHQDSFPHGLGLSILCPDRGLVTPPVAIFCLPGTAMGPNASSSCPQHPASLSGTWTVYPNGRFGNQMGQYATLLALAQLNGRRAFILPAMHAALAPVFRITLPVLAPEADSRTPWRELQLHDWMSEEYADLRDPFLKLSGFPCSWTFFHHLREQIRREFTLHDHLREEAQSVLGQLRLGRTGDRPRTFVGVHVRRGDYLQVMPQRWKGVVGDSAYLRQAMDWFRARHEAPVFVVTSNGMEWCKENIDTSQGDVTFAGDGQEATPWKDFALLTQCNHTIMTIGTFGFWAAYLAG...
0
13,720
80,847
UN
80,847
Q4WZ60
C[NH2+][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[NH+](C)[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)[O-].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CSCC[C@H]([NH3+])C(=O)[O-])[C@@H](O)[C@H]1O.[H+]
null
CN[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>CN(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O
MTISAPPIIDIRQAGLESSIPDQVVEGLTKEVKTLPALLFYSTKGIQHWNRHSHAADFYPRHEELCILKAEASKMAASIAQDSLVIDMGSASMDKVILLLEALEEQKKSITYYALDLSYSELASNFQAIPVDRFHYVRFAALHGTFDDGLHWLQNAPDIRNRPRCILLFGLTIGNFSRDNAASFLRNIAQSALSTSPTQSSIIVSLDSCKLPTKILRAYTADGVVPFALASLSYANSLFHPKGDRKIFNEEDWYFHSEWNHALGRHEASLITQSKDIQLGAPLETVIVRRDEKIRFGCSYKYDKAERDQLFHSAGLEDAA...
0
13,721
76,579
UN
76,579
A5UF10
CC1(C)CC[C@@H](C(=O)[O-])N=C1C(=O)[O-].NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](OP(=O)([O-])[O-])[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+].[H+]>>CC1(C)CC[C@@H](C(=O)[O-])[NH2+]C1C(=O)[O-].NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=C...
null
CC1(C)CC[C@@H](C(=O)O)N=C1C(=O)O.NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>CC1(C)CC[C@@H](C(=O)O)NC1C(=O)O.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1
MTLKIAIAGAGGRMGRQLIQAVHSAEGVELGAAFERKGSSLVGTDAGELAGIGHLGVAVSDDLESQKDKFDLLIDFTRPEGTLEHIAFCVANNKKMVIGTTGFDENGKTAIKAASDKIAIVFASNFSVGVNLVFKLLEKAAKVMGDYCDIEVIEAHHRHKVDAPSGTALSMGEHIAKTLGRDLKTHGVFCREGITGERKRDEIGFSTIRASDVVGEHTVWFADIGERVEISHKASSRMTFANGAVRAGKWLENKANGLFDMTDVLDLNNL
0
13,722
78,491
UN
78,491
Q7S3C9
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@...
MEERKQKVVVVGAGPVGSLAALYAANRGHDVEIYELRGDLRDPSTTPLNFTRSINLALSERGLNAMRHANQPRLIDYVKGVTIPMRGRMIHGKRPDGKLYEEAQDYDIHGRSILAIDRGDLNKRLLDMLEEMPNVTFFFNHKLTGADFKRNKAWFENKDESTSNPRDRAREIEVDFDFMIGADGAHSAVRYHLMKFSRMDYQQEYIDTLWCEFQIAPSSSSAKSKFRISPNHLHIWPGKEFMFIAIPSNDGSFTCTLFAPAAIYEQLEEAGRTGDTSSSIPEFFDMHFPGVTSLIAPADLIAQFQTNPHLPLISIKCKPY...
0
13,723
42,352
UN
42,352
Q93NH4
[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
MYDAIVVGGGFSGLKAARDLTNAGKKVLLLEGGERLGGRAYSRESRNVPGLRVEIGGAYLHRKHHPRLAAELDRYGIPTAAASEFTSFRHRLGPTAVDQAFPIPGSEAVAVEAATYTLLRDAHRIDLEKGLENQDLEDLDIPLNEYVDKLDLPPVSRQFLLAWAWNMLGQPADQASALWMLQLVAAHHYSILGVVLSLDEVFSNGSADLVDAMSQEIPEIRLQTVVTGIDQSGDVVNVTVKDGHAFQAHSVIVATPMNTWRRIVFTPALPERRRSVIEEGHGGQGLKILIHVRGAEAGIECVGDGIFPTLYDYCEVSESE...
0
13,724
62,564
UN
62,564
P11712
[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
MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKVYGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFMKSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTETTSTTLRYALLLLLKHPEVT...
0
13,725
56,476
UN
56,476
O06834
*N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C1=CC=C(Br)N1)C(*)=O.[Br-].CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N3C=NC4=C3N=CN=C4N)[C@H](O)[C@@H]1O)C1=C(N2)C(=O)NC(=O)N1.O=O>>*N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C1=CC(Br)=C(Br)N1)C(*)...
null
*N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)c1ccc(Br)[nH]1)C(*)=O.Br.Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]1O)c1[nH]c(=O)[nH]c(=O)c1N2.O=O>>*N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)c1cc(Br)c(Br)[nH]1)C(*)=O.Cc1cc2nc3c(=...
MKKRIGIVGAGTAGLHLGLFLRQHDVDVTVYTDRKPDEYSGLRLLNTVAHHAVTVQREVALDVNEWPSEEFGYFGHYYYVGGSQPMRFYGDLKAPSRAVDYRLYQPMLMRALEARGGKSCYDDVSTEDLEGLSEQYDLLVVCTGKNALGKVFEKQSENSPFEKPQRALCVGLFKGIKEAPIRAVTMSFSPGHGELIEIPTLSFNGMSTALVLENHIGSDLEVLAHTKYDDDPRAFLDLMLEKLRKHHPSVAERIDPAEFDLANSSLDILQGGVVPAFRDGHATLSNGKTIIGLGDVQATVDPVLGQGANMASHAAWILGE...
0
13,726
66,957
LR
66,956
P26402
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...
MIVNLSRLGKSGTGMWQYSIKFLTALREIADVDAIICSKVHADYFEKLGYAVVTVPNIVSNTSKTSRLRPLVWYVYSYWLALRVLIKFGNKKLVCTTHHTIPLLRNQTITVHDIRPFYYPDSFIQKVYFRFLLKMSVKRCKHVLTVSYTVKDSIAKTYNVDSEKISVIYNSVNKSDFIQKKEKENYFLAVGASWPHKNIHSFIKNKKVWSDSYNLIIVCGRTDYAMSLQQMVVDLELKDKVTFLHEVSFNELKILYSKAYALVYPSIDEGFGIPPIEAMASNTPVIVSDIPVFHEVLTNGALYVNPDDEKSWQSAIKNIE...
1
13,727
17,809
UN
17,809
P0A2G9
C=CC1=C(C)/C2=C/C3=C(C=C)C(C)=C4/C=C5/C(C)=C(CCC(=O)[O-])C6=[N+]5[Mg-2]5(N43)N3C(=C6)C(CCC(=O)[O-])=C(C)/C3=C/C1=[N+]25.C[S+](CC[C@H]([NH3+])C(=O)[O-])C[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1O>>C=CC1=C(C)/C2=C/C3=[N+]4C(=CC5=C(CCC(=O)OC)C(C)=C6/C=C7/C(C=C)=C(C)C8=[N+]7[Mg-2]4(N56)N2/C1=C\8)C(CCC(=O)[O-])=C3C.N...
2.1.1.11
C=CC1=C(C)C2=Cc3c(C=C)c(C)c4n3[Mg-2]35n6c(c(C)c(CCC(=O)O)c6=CC6=[N+]3C(=C4)C(C)=C6CCC(=O)O)=CC1=[N+]25.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>C=CC1=C(C)C2=[N+]3C1=Cc1c(C)c(CCC(=O)OC)c4n1[Mg-2]31n3c(c(C)c(C=C)c3=C2)=CC2=[N+]1C(=C4)C(CCC(=O)O)=C2C.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)...
MSETFDPRCVWFVGAGPGDRELITLKGYRLLQQAQVVIYAGSLINTELLDYCPAQAERYDSAELHLEQIIELMAAGVKAGKTVVRLQTGDVSLYGSVREQGEELTRRGIDWQVVPGVSAFLGAAAELGVEYTVPEVSQSLIITRLEGRTPVPAREQLEAFASHQTSMAIYLSVQRIHRVAERLIAGGYPATTPVAVIYKATWPESQTVRGTLADISDKVRDAGIRKTALILVGNFLGKEYHYSRLYAADFSHEYRKA
0
13,728
75,779
UN
75,779
P48622
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
MASSVLSECGFRPLPRFYPKHTTSFASNPKPTFKFNPPLKPPSSLLNSRYGFYSKTRNWALNVATPLTTLQSPSEEDTERFDPGAPPPFNLADIRAAIPKHCWVKNPWMSMSYVVRDVAIVFGLAAVAAYFNNWLLWPLYWFAQGTMFWALFVLGHDCGHGSFSNDPRLNSVAGHLLHSSILVPYHGWRISHRTHHQNHGHVENDESWHPLPESIYKNLEKTTQMFRFTLPFPMLAYPFYLWNRSPGKQGSHYHPDSDLFLPKEKKDVLTSTACWTAMAALLVCLNFVMGPIQMLKLYGIPYWIFVMWLDFVTYLHHHGH...
0
13,729
77,179
UN
77,179
Q7XZQ8
[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
MAPTTITALAKEKTLNLDFVRDEDERPKVAYNQFSNEIPIISLAGLDDDSDGRRPEICRKIVKACEDWGIFQVVDHGIDSGLISEMTRLSREFFALPAEEKLEYDTTGGKRGGFTISTVLQGDDAMDWREFVTYFSYPINARDYSRWPKKPEGWRSTTEVYSEKLMVLGAKLLEVLSEAMGLEKGDLTKACVDMEQKVLINYYPTCPQPDLTLGVRRHTDPGTITILLQDMVGGLQATRDGGKTWITVQPVEGAFVVNLGDHGHYLSNGRFRNADHQAVVNSTSSRLSIATFQNPAQNAIVYPLKIREGEKAILDEAITY...
0
13,730
75,259
UN
75,259
Q5B2E9
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
MQYSRMTATRENPKYKNLRVEECDVLIIGSGPVGATYAREILDPGSGASPGRKAPKVIMVETGAQESKVPGEHKKNAVVYQKHIDSFVNVIQGSLFATSVPTRVDPNLKLPPVSWSPREKQNFNGQNKEQNIYHNLDANGVSRNVGGMSTHWTCATPRQHELERSKIFDDATWDRLYKRAEELIGTRTDVLDQSIRQRLVLDILRKKFKNRDAKALPLAAEKVEGKNLIKWSSSSTVLGNLLEDEKFTLLDQHHCEKLEFNDETNKVSFAIIKNLAKPQTSKEDEDRLRIKAKYVIVCGGPILTPQLLFKSGFRYDEEDA...
0
13,731
76,683
UN
76,683
B3EFL3
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)...
MNIHEYQGKDILKKFGVSVPRGIVAFSPDEAKQAAQQLFEEQGSPVVVVKAQIHAGGRGKAGGVKLAKSPDEAMEIARQMLGATLVTHQTGPEGKQVSRLLVEEGMNIDREFYVGITLDRSTSRNVLMVSTEGGMEIEKVAEETPDKLLKIQVDPLYGLQGFQAREAAFFLGLEGEQFRNAVTFIIALYNAYMTIDASLAEINPLVVTKEGRVLALDAKINFDGNALFRHKNFLELRDTNEEDPFEVEASKSNLNYVRLDGNVGCMVNGAGLAMATMDMIQLAGGRPANFLDVGGGASPETVEEGFKIILSDKNVRAILV...
0
13,732
80,299
UN
80,299
A0A0K0PVM5
[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
MKSELIFLPAPAIGHLVGMVEMAKLFISRHENLSVTVLIAKFYMDTGVDNYNKSLLTNPTPRLTIVNLPETDPQNYMLKPRHAIFPSVIETQKTHVRDIISGMTQSESTRVVGLLADLLFINIMDIANEFNVPTYVYSPAGAGHLGLAFHLQTLNDKKQDVTEFRNSDTELLVPSFANPVPAEVLPSMYVDKEGGYDYLFSLFRRCRESKAIIINTFEELEPYAINSLRMDSMIPPIYPVGPILNLNGDGQNSDEAAVILGWLDDQPPSSVVFLCFGSYGTFQENQVKEIAMGLERSGHRFLWSLRPSIPKGETKLQLKY...
0
13,733
80,951
UN
80,951
Q7N7A9
[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)NCCSC(*)=O)C(*)=O>>[1*][C@H](CC(=O)NCC(=O)[O-])OC([2*])=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)C(*)=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.[1*][C@H](CC(=O)NCC(=O)O)OC([2*])=O
MLFKFLRLVFRLMFRLTVEGDIKQFNHPKCLITPNHVSFLDGVLLTLFLPVKPVFAVYSNIANRGFMKLVSRYVEIVPLDPINPMAVRILVKEIEKGRPIVVFPEGRITVTGSLMKIYDGAAFIAAISEAVVVPVRFEGLERTLFSRLKGIFKLHLFPKVTMKILPATQLLMPNASSSEQRRRLAGERLHEIMMNARMATRPQETIFESLLVARKQFGRFKPCIEDVSFKEDSYNSLLKKVLAASRILQRFTCQGERIGFLLPNATIMVAAIFGASLRGRIPALLNYTTDSHGLKNALAVASIKTIVTSRQFLKKERLTH...
0
13,734
76,491
UN
76,491
Q8D7V1
COC1=C(O)C=CC(/C=C/C(=O)[O-])=C1.[H]O[H]>>[H]C(=O)C1=CC(OC)=C(O)C=C1.CC(=O)[O-]
4.1.2.65
COc1cc(/C=C/C(=O)O)ccc1O.O>>CC(=O)O.COc1cc(C=O)ccc1O
MTAPTKMTFFSRFEADILAGKKTITIRDESEKDYQPGTTVEVSTLEEGRVFCQLKILSVEPIAFSALNEFHAEQENMTLETLKEVIQEIYPGIEQLYVIQYQRV
0
13,735
80,347
UN
80,347
Q29497
[H][C@]12CC[C@]3(C)C(=CC[C@@]3([H])C(CO)C[C@@H](O)[C@@H]3OC3(C)C)[C@]1(C)[C@H](OC(C)=O)C[C@@]1([H])C(C)(C)OC(=O)C[C@H](OC(C)=O)[C@]21C.CC1=C(C)C=C2C(=C1)NC1=C(NC(=O)NC1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].O=O>>[H][C@]12CC[C@]3(C)C(=CC[C@@]3([H])C(CO)CC=O)[C@]1(C)[C@H](OC(C)=O)C[C@@]1([H])C(C)(C)OC(=O)C[C@H](...
null
CC(=O)O[C@H]1CC(=O)OC(C)(C)[C@@H]2C[C@@H](OC(C)=O)[C@@]3(C)C4=CC[C@@H](C(CO)C[C@@H](O)[C@@H]5OC5(C)C)[C@]4(C)CC[C@@H]3[C@@]12C.Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2.O=O>>CC(=O)O[C@H]1CC(=O)OC(C)(C)[C@@H]2C[C@@H](OC(C)=O)[C@@]3(C)C4=CC[C@@H](C(CO)CC=O)[C@]4(C)CC[C@@H]3[C@@]12C.CC(C...
MWVLLAVFLLTLAYLFWPKTKHSGAKYPRSLPSLPLVGSLPFLPRRGQQHENFFKLQEKYGPIYSFRLGSKTTVMIGHHQLAREVLLKKGKEFSGRPKVATLDILSDNQKGIAFADHGAHWQLHRKLVLNAFALFKDGNLKLEKIINQEANVLCDFLATQHGQSIDLSEPLSLAVTNIISFICFNFSFKNEDPALKAIQNVNDGILEVLGKEVLLDIFPALKIFPSKAMEKMKGCVETRNELLSEILEKCQENFTSDSITNLLHILMQAKVNADNNNTGPEQDSKLLSNRHMLATIADIFGAGVETTTSVIKWIVAYLLH...
0
13,736
78,487
UN
78,487
A0JSP6
NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])CCC([NH3+])C(=O)[O-])[C@@H](O)[C@H]2O)C=C1.[H+]>>NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])CCC[NH3+])[C@@H](O)[C@H]2O)C=C1.O=C=O
null
Nc1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)CCC(N)C(=O)O)[C@@H](O)[C@H]2O)c(=O)n1>>NCCCP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O.O=C=O
MGDLARLPLLEKAPTTHAGLLAWVEEVAELTQPDRIHWVDGTEEEYTRLTGELVEAGTLTRLNPELFPNSFAAFSDPADVARVEEQTFICSENQRDAGFTNNWMAPAEMKQKLRGLFAGSMRGRTMYVIPFVMGHLDAEDPKFGVEITDSAYVVASMRIMANIGTEVLDKITATNAFFVPALHSLGAPLAPGQADVAWPCNPDKWIVHFPEERSIWSFGSGYGGNALLGKKCYALRIASVMARDEGWLAEHMLILKLTSPEKKSYYMSAAFPSACGKTNLALLDPTIEGWEVETLGDDITWMRIGKEGELRATNPEAGLF...
0
13,737
74,147
UN
74,147
Q9VV87
CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)[C@@H](CC(=O)[O-])C(=O)C1=CC=CC=C1.CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCS>>CC(C)(COP(=O)([O-])OP(=O)([O-]...
2.3.1.310
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCS.CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)[C@@H](CC(=O)O)C(=O)c1ccccc1>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](...
MINMDISVTPNYSYIFDFENDFIHQRTRKWMLENWTWVFYYCGIYMLVIFGGQHFMQNRPRFQLRGPLIIWNTLLAMFSIMGAARTAPELIHVLRHYGLFHSVCVPSYIEQDRVCGFWTWLFVLSKLPELGDTIFIVLRKQPLIFLHWYHHITVLIYSWFSYTEYTSSARWFIVMNYCVHSVMYSYYALKAARFNPPRFISMIITSLQLAQMIIGCAINVWANGFLKTHGTSSCHISQRNINLSIAMYSSYFVLFARFFYKAYLAPGGHKSRRMAASLAAQNVVKQSSSPQQASESSKFIGAGEDQAAYLRKAKAQ
0
13,738
81,151
UN
81,151
Q32I45
[NH3+]C(C(=O)[O-])C(=O)[O-].*N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@@H](O)/C=C/CCCC/C=C/CCCCCCC)C(*)=O>>CCCCCCC/C=C/CCCC/C=C/[C@H](O)CC(=O)[C@H](N)C(=O)[O-].*N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCS)C(*)=O.O=C=O
null
*N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@@H](O)/C=C/CCCC/C=C/CCCCCCC)C(*)=O.NC(C(=O)O)C(=O)O>>*N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCS)C(*)=O.CCCCCCC/C=C/CCCC/C=C/[C@H](O)CC(=O)[C@H](N)C(=O)O.O=C=O
MSWQEKINAALDARRAADALRRRYPVAQGAGRWLVADDRQYLNFSSNDYLGLSHHPQIIRAWKQGAEQFGVGSGGSGHVSGYSVAHQALEEELAEWLGYSRALLFISGFAANQAVIAAMMAKEDRIVADRLSHASLLEAASLSPSQLRRFVHNDVTHLARLLASPCPGQQLVVTEGVFSMDGDSAPLGEIQQVTQQHNGWLMVDDAHGTGVIGEQGRGSCWLQKVKPELLVVTFGKGFGVSGAAVLCSSTVADYLLQFARHLIYSTSMPPAQAQALRASLAVIRSDEGDARREKLAALITRFRAGVQDLPFTLADSCSAI...
0
13,739
80,959
UN
80,959
Q8A248
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
MTDDSLFLIDVDKILRTKAPKQYKYIPKFVVSYLKKIVHQDEINVFLNESKDKLGVDFLEACMEFLDAKVEVKGIENLPKEGLYTFVSNHPLGGQDGVALGYVLGRHYDGKVKYLVNDLLMNLRGLAPLCVPINKTGKQAKDFPKMVEAGFQSDDQMIMFPAGLCSRRQNGVIRDLEWKKTFIIKSIQAKRDVVPVHFGGRNSDFFYNLANVCKALGIKFNIAMLYLADEMFKNRHKTFTVTFGKPIPWQTFDKSKTPAQWAEYVKDIVYKL
1
13,740
81,087
UN
81,087
I3PLR1
COC1=CC(C[C@H]2C[NH2+][C@@H](CC3=CC=CC=C3)CN2C(=O)/C=C/C2=CC=CC=C2)=CC(OC)=C1O.CC1=C(C)C=C2C(=C1)NC1=C(NC(=O)NC1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].O=O>>COC1=C2\OCO\C2=C/C(C[C@H]2C[NH2+][C@@H](CC3=CC=CC=C3)CN2C(=O)/C=C/C2=CC=CC=C2)=C\1.CC1=C(C)C=C2C(=C1)/N=C1/C(=O)[N-]C(=O)N=C1N2C[C@H](O)[C@H](O)[C@H](O)COP...
null
COc1cc(C[C@H]2CN[C@@H](Cc3ccccc3)CN2C(=O)/C=C/c2ccccc2)cc(OC)c1O.Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2.O=O>>COc1cc(C[C@H]2CN[C@@H](Cc3ccccc3)CN2C(=O)/C=C/c2ccccc2)cc2c1OCO2.Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C.O.O
MAYLMIKKSIYLFFDQPTAVGTLILAFLLTLSPVIIYYEQKKRGLRRNRTAITTTPLPEASGAWPVIGHLLLFMNENDLNHVTLGHMADKYGPIFSLRFGRHRTLVVSSWEMVKECFTGTNDKLFSNRPSSLAVKLMFYDTESYGFAPYGKYWRELRKISTHKLLSNQQLEKFKHLRISEVDNSFKKLHELCSNNKQGGDTTYVASLVRMDDWFAYLTFNVIGRIVSGFQSNAVAGATNSQEKYKLAIDEVSNLMATFAVSDVVPRLGWIDRLTGLTGKMKNCGKKLDAVVGDAVEDHRQKKLKISRNNTGALTEHEEED...
0
13,741
78,775
UN
78,775
M9Z1G5
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
MALSMDNIVISNEEEIYMMKAMHIPCGLYLNMVLKAAIELDLFEIIAKSTTQKLSSYEIASQIPTKNPNASSLVLERILRFLASQSFLTCNITKNDDGIVHTSYNLTPLSQSLISDKDGSSIAPFLLLATDPVAVNSWFHFKDAILEGEIPFNKAHGVHAFEYHGKDSRMNGLFNRAMQNVTCTEMKRIVECYNGFQGVKEIIDVGGGLGISLATIISKYPNIKGINFDLPHVIKDAPTYEGIEHVGGDMFKSVPQRELILLKAILHDWDDEYCVKILKNCWRALPKDGKVVVIEQMQPEYPETNLISKNSSSVDMLMMT...
0
13,742
45,701
LR
45,700
Q9HTF3
C[N+](C)(C)CC(=O)[O-].NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O.[H+]>>C[NH+](C)CC(=O)[O-].[H]C([H])=O.NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)=C1....
1.14.13.251
C[N+](C)(C)CC(=O)O.NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O>>C=O.CN(C)CC(=O)O.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O
MSSNFLNPVTTQTWANGRHLVRCVKVIQETWDVRTFCFMADQPILFFFKPGQFVTLELEIDGEPVMRSYTISSSPSVPYSFSITIKRVPGGRVSNWLHDNLKEGQELPVHGPVGLFNAIDFPADKVLFLSGGVGITPVMSMARWFFDTNANVDMVFVHSARSPKDIIYHRELEHMASRIDNFSLHIICERHGLGEAWAGYRGYLNLRMLELIAPDFLEREIFCCGPTPYMSAVKHLLQGHGYDMSRYHEEAFGPTPPEVRADVRELAAEAAEAPEVPVADQHQVEFTATGKSIRVSPGETVHAAAAKLGLHIPKACGMGI...
1
13,743
78,091
UN
78,091
Q8FF30
C=CC1=C(C)/C2=C/C3=C(C=C)C(C)=C4/C=C5/C(C)=C(CCC(=O)[O-])C6=[N+]5[Fe-2]5(N43)N3C(=C6)C(CCC(=O)[O-])=C(C)/C3=C/C1=[N+]25.[N]=O.O=O>>C=CC1=C(C)/C2=C/C3=C(C=C)C(C)=C4/C=C5/C(C)=C(CCC(=O)[O-])C6=[N+]5[Fe-]5(N43)N3C(=C6)C(CCC(=O)[O-])=C(C)/C3=C/C1=[N+]25.O=[N+]([O-])[O-]
null
C=CC1=C(C)C2=Cc3c(C=C)c(C)c4n3[Fe-2]35n6c(c(C)c(CCC(=O)O)c6=CC6=[N+]3C(=C4)C(C)=C6CCC(=O)O)=CC1=[N+]25.O=O.[N]=O>>C=CC1=C(C)C2=Cc3c(C=C)c(C)c4n3[Fe-]35n6c(c(C)c(CCC(=O)O)c6=CC6=[N+]3C(=C4)C(C)=C6CCC(=O)O)=CC1=[N+]25.O=[N+]([O-])[O-]
MLDAQTIATVKATIPLLVETGPKLTAHFYDRMFTHNPELKEIFNMSNQRNGDQREALFNAIAAYASNIENLPALLPAVEKIAQKHTSFQIKPEQYNIVGEHLLATLDEMFSPGQEVLDAWGKAYGVLANVFINREAEIYNENASKAGGWEGTRDFRIVAKTPRSALITSFELEPVDGGAVAEYRPGQYLGVWLKPEGFPHQEIRQYSLTRKPDGKGYRIAVKREEGGQVSNWLHNHANVGDVVKLVAPAGDFFMAVADDTPVTLISAGVGQTPMLAMLDTLAKAGHTAQVNWFHAAENGDVHAFADEVKELGLSLPRFTA...
0
13,745
75,907
UN
75,907
O60285
[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
MEGAAAPVAGDRPDLGLGAPGSPREAVAGATAALEPRKPHGVKRHHHKHNLKHRYELQETLGKGTYGKVKRATERFSGRVVAIKSIRKDKIKDEQDMVHIRREIEIMSSLNHPHIISIYEVFENKDKIVIIMEYASKGELYDYISERRRLSERETRHFFRQIVSAVHYCHKNGVVHRDLKLENILLDDNCNIKIADFGLSNLYQKDKFLQTFCGSPLYASPEIVNGRPYRGPEVDSWALGVLLYTLVYGTMPFDGFDHKNLIRQISSGEYREPTQPSDARGLIRWMLMVNPDRRATIEDIANHWWVNWGYKSSVCDCDAL...
0
13,746
79,299
UN
79,299
Q47316
[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-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O>>O=C1CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN1.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)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>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=C1CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN1.O=P(O)(O)OP(=O)(O)O
MILPSEKSATDVAAQCFLNALIRETKDWQLAEYPPDELIIPLDEQKSLHFRVAYFSPTQHHRFAFPAHLVTASGSYPVDFTTLSRLIIDKLRHQLFLPVPLCETFHQRVLESYAHTQQTIDARHDWAILREKALNFGEAEQALLTGHAFHPAPKSHEPFNRQEAERYLPDMAPHFPLRWFSVDKTQIAGESLHLNLQQRLTRFAAENAPQLLNELSDNQWLFPLRPWQGEYLFQQVWCQALFAKGLIRDLGEAGTSWLPTTSSRSLYCATSRDMIKFSLSVRLTNSVRTLSVKEVERGMRLARLAQTDGWQMLQARFPTF...
0
13,747
30,491
UN
30,491
O88833
CC(C)[C@H]([NH3+])C(=O)[O-].CC1=C(C)C=C2C(=C1)NC1=C(NC(=O)NC1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].O=O>>CC(C)[C@H](NO)C(=O)[O-].CC1=C(C)C=C2C(=C1)/N=C1/C(=O)[N-]C(=O)N=C1N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].[H]O[H].[H+].[H+]
null
CC(C)[C@H](N)C(=O)O.Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2.O=O>>CC(C)[C@H](NO)C(=O)O.Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C.O
MSVSALSPTRFADSLSGFLQVASVLGLLLLLVKAVQFYLHRQWLLKAFQQFPSPPFHWFFGHEKFKGDQELQEIVSCIENFPSAFPRWFWGSKAYLTVYDPDYMKVILGRSDPKANGAYRLLAPWIGYGLLLLNGQPWFQHRRMLTPAFHYDILKPYVKNMADSIRLMLDKWERLADQDSSIEIFQHISLMTLDTVMKCAFSHKGSVQVDGNYRTYLQAIGDLNNLFHSRVRNIFHQNDTIYKLSSNGRLAKQACQLAHDHTDGVIKLRKDQLQDEGELEKIKKKRRLDFLDILLFARMENGDSMSDKDLRAEVDTFMFE...
0
13,748
78,719
UN
78,719
J5K1E2
O=C1[C@@H](O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@H]1O.[H]O[H]>>O=C1[C@@H](O)C(O)O[C@H](CO)[C@H]1O.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O
3.2.1.218
O.O=C1[C@@H](O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@H]1O>>O=C1[C@@H](O)C(O)O[C@H](CO)[C@H]1O.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O
MSDSTAPSAHRPRGSEDFGVFDDAKTYYASDERHTGRFANRTRTYSQSSLIKQIERLNLPEPFRRGSHDESNLEQGRRFLIQVDATLESLKAQEDTDGNMQITIEDSGPKVLPLRTAASAGYHRFEVRGTYMLSNLLQELTLAKEYGRKQIILDEARLNENPVNRLSRLIKDHFWDGLTRRIDASSIEIAARDPKDWTDDPRPRIYIPSKCTAQFEYYKQVALDRPEIRLDVQLLPEVITPEIIRDMNEKPGLLAVAVEEVEEQDPVKGTIKTLRGLPFVVPGGRFNELYGWDSYMESLGLLVNDRVDLAKAMVLNFCFC...
0
13,749
80,235
UN
80,235
Q9WVK8
[H][C@@]12CC[C@H](C(C)C)[C@@]1(C)CC[C@]1(C)/C3=C/C[C@]4([H])[C@](C(=O)[O-])([C@H](O)C[C@H](O)[C@@]4(C)C(=O)[O-])[C@@]3([H])CC[C@@]21C.CC1=C(C)C=C2C(=C1)NC1=C(NC(=O)NC1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].O=O>>[H][C@@]12CC[C@H](C(C)C)[C@@]1(C)CC[C@]1(C)/C3=C/C[C@]4([H])[C@](C(=O)[O-])([C@H](O)[C@@H](O)[C@H](O...
null
CC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)C3=CC[C@H]4[C@](C)(C(=O)O)[C@@H](O)C[C@@H](O)[C@]4(C(=O)O)[C@H]3CC[C@@]21C.Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2.O=O>>CC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)C3=CC[C@H]4[C@](C)(C(=O)O)[C@@H](O)[C@H](O)[C@@H](O)[C@]4(C(=O)O)[C@H]3CC[C@@]21C.Cc1cc...
MSPGLLLLGSAVLLAFGLCCTFVHRARSRYEHIPGPPRPSFLLGHLPYFWKKDEDCGRVLQDVFLDWAKKYGPVVRVNVFYKTSVIVTSPESVKKFLMSTKYNKDSKMYRALQTVFGERLFGQGLVSECDYGRWYKQRKVMDLAFSRSSLVSLMETFNEKAEQLVEILEAKADGQTPVSMQDMLTCATIDILAKAAFGMETSMLLGAQKPLSQAVKVMLEGISASRNTLAKFMPGKRKQLREIRESIRLLRQVGKDWVQRRREALKRGEDMPADILTQILKAEEGAQDDEVLLDNFVTFFIAGHETSANHLAFTVMELSR...
0
13,750
74,631
UN
74,631
Q9GKM4
CC(=O)OCC[C@H]([NH3+])C(=O)[O-].CC(C)C(=O)C(=O)[O-]>>CC(C)(CC[C@H]([NH3+])C(=O)[O-])C(=O)C(=O)[O-].CC(=O)[O-].[H+]
null
CC(=O)OCC[C@H](N)C(=O)O.CC(C)C(=O)C(=O)O>>CC(=O)O.CC(C)(CC[C@H](N)C(=O)O)C(=O)C(=O)O
MDCNNGCSAEGTGEGGSKEPVETFKAEDLIITRATILKEKPDPSTLVFGTVFTDHMLTVEWSLELGWEKPRIKPLQNLSLHPGSSALHYAVELFEGLKAFRGVDNKIRLFRPNLNMDRMYRSAMRATLPAFDKKELLECIQQLVKLDEEWVPYSTSASLYIRPTFIGTEPSLGVKKPTKALLFVILSPVGPYFSSGSFNPVSLWANPKYVRAWKGGTGDCKMGGNYGSSLFAQCEAVENACQQVLWLYGEENQITEVGTMNLFLYWINEDGEEELATPPLDGIILPGVMRQSILDLAHKWGEFKVSERYLTMDDLTTAVE...
0
13,751
81,131
UN
81,131
P0DO14
COC1=CC(C[C@H]2C[NH2+][C@@H](CC3=CC=CC=C3)CN2)=CC(OC)=C1O.CC1=C(C)C=C2C(=C1)NC1=C(NC(=O)NC1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].O=O>>COC1=C2OCOC2=CC(C[C@H]2C[NH2+][C@@H](CC3=CC=CC=C3)CN2)=C1.CC1=C(C)C=C2C(=C1)/N=C1/C(=O)[N-]C(=O)N=C1N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].[H]O[H].[H]O[H].[H+]
null
COc1cc(C[C@H]2CN[C@@H](Cc3ccccc3)CN2)cc(OC)c1O.Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2.O=O>>COc1cc(C[C@H]2CN[C@@H](Cc3ccccc3)CN2)cc2c1OCO2.Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C.O.O
MEVMQLSFSYPALFLFVFFLFMLVKQLRRPKNLPPGPNKLPIIGNLHQLATELPHHTLKQLADKYGPIMHLQFGEVSAIIVSSAKLAKVFLGNHGLAVADRPKTMVATIMLYNSSGVTFAPYGDYWKHLRQVYAVELLSPKSVRSFSMIMDEEISLMLKRIQSNAAGQPLKVHDEMMTYLFATLCRTSIGSVCKGRDLLIDTAKDISAISAAIRIEELFPSLKILPYITGLHRQLGKLSKRLDGILEDIIAQREKMQESSTGDNDERDILGVLLKLKRSNSNDTKVRIRNDDIKAIVFELILAGTLSTAATVEWCLSELK...
0
13,752
80,847
UN
80,847
Q6ZD89
C[NH2+][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[NH+](C)[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)[O-].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CSCC[C@H]([NH3+])C(=O)[O-])[C@@H](O)[C@H]1O.[H+]
null
CN[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>CN(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O
MGSTAADMAAAADEEACMYALQLASSSILPMTLKNAIELGLLETLQSAAVAGGGGKAALLTPAEVADKLPSKANPAAADMVDRMLRLLASYNVVRCEMEEGADGKLSRRYAAAPVCKWLTPNEDGVSMAALALMNQDKVLMESWYYLKDAVLDGGIPFNKAYGMTAFEYHGTDARFNRVFNEGMKNHSVIITKKLLDLYTGFDAASTVVDVGGGVGATVAAVVSRHPHIRGINYDLPHVISEAPPFPGVEHVGGDMFASVPRGGDAILMKWILHDWSDEHCARLLKNCYDALPEHGKVVVVECVLPESSDATAREQGVFH...
0
13,753
80,499
UN
80,499
B7M5M7
[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
MKIDLNADLGEGCASDAELLTLVSSANIACGFHAGDAQTMQACVREAIKNGVAIGAHPSFPDRENFGRSAMQLPPETVYAQTLYQIGALATIARAQGGVMRHVKPHGMLYNQAAKEAQLADAIARAVYACDPALVLVGLAGSELIRAGKQYGLTTREEVFADRGYQADGSLVPRSQPGALIENEEQALAQTLEMVQHGRVKSITGEWATVTAQTVCLHGDGEHALAFARRLRSTFAEKEIVVAA
0
13,754
47,044
UN
47,044
Q29551
C[N+](C)(C)CC(=O)CC(=O)[O-].CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]>>CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[N+](C)(C)C.CC(=O)CC(=O)[O-]
2.3.1.317
CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.C[N+](C)(C)CC(=O)CC(=O)O>>CC(=O)CC(=O)O.CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[N+](C)(C)C
MAALTLLSSRLRLCASAYRSGGAWSQGCAGYFSTSTRRHTKFYTDAVEAVKDIPNGATVLVGGFGLCGIPENLIGALLKTGVKELTAVSNNAGVDNFGLGLLLQSKQIKRMISSYVGENAEFERQYLAGELEVELTPQGTLAERIRAGGAGVPAFYTSTGYGTLVQEGGSPIKYNKDGSIAIASKPREVREFNGQHFILEEAIRGDFALVKAWKADQAGNVTFRKSARNFNLPMCKAAETTVVEVEEIVDIGSFAPEDIHIPKIYVHRLVKGEKYEKRIERLSVRKEEDVKTRSGKLGDNVRERIIKRAALEFEDGMYAN...
0
13,755
77,079
UN
77,079
Q1R6Q7
C[NH+](C)CCCCC[NH3+].CC1CCC2C3(C)[CH+]C4CC12CCC4(C)O3>>CC1CCC2C13CCC1(C)OC2(C)C([NH2+]CCCCC[NH+](C)C)C1C3.[H+]
null
CC1CCC2C3(C)CC4CC12CCC4(C)O3.CN(C)CCCCCN>>CC1CCC2C13CCC1(C)OC2(C)C(NCCCCCN(C)C)C1C3
MNRLPSSASALACSAHALNLIEKRTLDHEEMKALNREVIEYFKEHVNPGFLEYRKSVTAGGDYGAVEWQAGGLNTLVDTQGQEFIDCLGGFGIFNVGHRNPVVVSAVQNQLAKQPLHSQELLDPLRAMLAKTLAALTPGKLKYSFFCNSGTESVEAALKLAKAYQSPRGKFTFIATSGAFHGKSLGALSATAKSTFRKPFMPLLPGFRHVPFGNIEAMRTALNECKKTGDDVAAVILEPIQGEGGVILPPPGYLTAVRKLCDEFGALMILDEVQTGMGRTGKMFACEHENVQPDILCLAKALGGGVMPIGATIATEEVFS...
0
13,756
78,975
UN
78,975
D4GXZ3
C[C@@](O)(CCOP(=O)([O-])[O-])CC(=O)[O-]>>C/C(=C\C(=O)[O-])CCOP(=O)([O-])[O-].[H]O[H]
4.2.1.182
C[C@@](O)(CCOP(=O)(O)O)CC(=O)O>>C/C(=C\C(=O)O)CCOP(=O)(O)O.O
MKATAKAHPIQGLVKYHGMRDTERRMPYHDSISVCTAPSHTQTTVEFRPDADEDVYVIGGEEVEGRGAERIQAVVDRVRELAGFDHRVRLESENSFPSNIGFGSSASGFAAAAMALAEAADLDMTRPEVSTIARRGSASAARAVTGAFSHLYSGMNDTDCRSERIETDLEDDLRIVAAHVPAYKETEQAHAEAADSHMFQARMAHIHAQIDDMRDALYDGDFDAAFELAEHDSLSLAATTMTGPAGWVYWQPRTIAVFNAVRKLRNEEDVPVYFSTDTGASVYINTTEEHVDRVEEAVADCGVETDVWGVGGPAEVLDES...
0
13,757
81,151
UN
81,151
A3MNG3
[NH3+]C(C(=O)[O-])C(=O)[O-].*N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@@H](O)/C=C/CCCC/C=C/CCCCCCC)C(*)=O>>CCCCCCC/C=C/CCCC/C=C/[C@H](O)CC(=O)[C@H](N)C(=O)[O-].*N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCS)C(*)=O.O=C=O
null
*N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@@H](O)/C=C/CCCC/C=C/CCCCCCC)C(*)=O.NC(C(=O)O)C(=O)O>>*N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCS)C(*)=O.CCCCCCC/C=C/CCCC/C=C/[C@H](O)CC(=O)[C@H](N)C(=O)O.O=C=O
MNPLATLEQGLADIDAQGLRRCRRVADTACGAHMTVDGRAIIGFASNDYLGLAAHPRLVEAFAEGARRYGSGSGGSHLLGGHSRAHATLEDELAAFSGGFSDAPRALYFSTGYMANLAALTALAGRGATIFSDALNHASLIDGARLSRANVQIYPHGDADALDARLRACDAPTKLIVSDTVFSMDGDVAPLARLVALAETHGAWLVVDDAHGFGVLGPQGRGALAAHGLRSPNLVYVGTLGKAAGVAGAFVVAHETVIEWLVQRARSYIFTTAAPPSVACAVSASLAVIASDEGDARRAHLGALIKRTRAILRATHWQPV...
0
13,758
74,523
UN
74,523
Q6DGD3
[NH3+]CCCC[C@H]([NH3+])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[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[NH+](C)CCCC[C@H]([NH3+])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.NC1=NC=NC2...
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.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.NCCCC[C@H](N)C(=O)O>>CN(C)CCCC[C@H](N)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O
MARDLKDCRVPCKLLLEDLQALCRRKKLVCKQLSVTKNNFNDYEVEYLCNYKKHKGREFFLVKWKGYEESENTWEPLKNLKCPILLHQFRKDMKAALLQANEPLDSASLSGPIISFLRQKATQRIRLKKWEDLMNQTCWHKGRIFVSNEVDMDGPPKNFTYINENKLGKGVDMNAVIVGCECEDCVSQPVDGCCPGLLKFRRAYNESRRVKVMPGVPIYECNSKCRCGPDCANRVVQRGIQYDLCIFKTDNGRGWGVRTLQRINKNSFVMEYLGEIITTDEAEQRGVLYDKQGVTYLFDLDYVDDVYTIDAAHYGNISHF...
0
13,759
79,283
UN
79,283
Q6G6P8
[NH3+]CCCCN(O)C(=O)CCC(=O)[O-].[NH3+]CCCCN(O)C(=O)CCC(=O)[O-].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O>>[NH3+]CCCCN(O)C(=O)CCC(=O)NCCCCN(O)C(=O)CCC(=O)[O-].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O.O=P([O-])([O-])OP(=O)([O-])O.[H+]
null
NCCCCN(O)C(=O)CCC(=O)O.NCCCCN(O)C(=O)CCC(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>NCCCCN(O)C(=O)CCC(=O)NCCCCN(O)C(=O)CCC(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O
MYSIKMRSSNQDVHISGAETICEFDKIEQTVQRFYNKGFFHENGQPDFLNIKIQKIMEPIQQIKALQIIEDDKANLQHLTQECGVTEQALNQGMTYIKNETVYTGAIILSAISGKRLDSFGQRGIRATHFSFEDINNKGDLNERVTDALAIASCINAHPYVKGELCVSDDLTYTTGYFASAKIGYHRLFDIKPVNTRYGGRIIFVDDRIDLNHYISFLESTPKQVVYERV
0
13,760
78,495
UN
78,495
Q8X097
NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])CCCNO)[C@@H](O)[C@H]2O)C=C1.CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]>>CC(=O)N(O)CCCP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O.CC(C)(COP(=O)([O-])OP(=O)...
null
CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.Nc1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)CCCNO)[C@@H](O)[C@H]2O)c(=O)n1>>CC(=O)N(O)CCCP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O.CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc...
MPSATTASTNGANGASASPAPGNLSANDNIRRFAAPSRPLSPLPAHALFNDKTRCFVYGLQPRAVQGMLDFDFICKRSTPSVAGIIYTFGGQFVSKMYWGTSETLLPVYQEVPKAIAKHPDVDVVVNFASSRSVYSSTMELMEYPQIKTIAIIAEGVPERRAREIAYVAKKKGITIIGPATVGGIKPGCFKIGNTGGMMDNIVASKLYRKGSVGYVSKSGGMSNELNNIISQTTDGVYEGVAIGGDRYPGTTFIDHLLRYQADPDCKILVLLGEVGGVEEYKVIDAVKQGIITKPIVAWAIGTCASMFKTEVQFGHAGAF...
0
13,761
75,723
UN
75,723
Q08C93
CCCCC/C=C\C/C=C\CCCCCCCC(=O)[O-].[H]O[H]>>CCCCC/C=C\C[C@@H](O)CCCCCCCCC(=O)[O-]
null
CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.O>>CCCCC/C=C\C[C@@H](O)CCCCCCCCC(=O)O
MRKRKGSADHDSSFTATLTDGSSDLKQCHKGTDADTDPGGSGKEMGRRCRRGGLMWRLRRILIWLLGIYIAIPVIIKVCPSIQAKLVFLNFVRVPYFIDLKRPQDQGMNHTHNFYLQPEEGINIGVWHTVPAGMWREAQAKDAEWYEKSFQSSHPVILYLHGNAGTRGGDHRVQLYKVLSSLGYHVVTFDYRGWGDSEGSPSERGMTSDALFLYQWIKQRIGPKPLYIWGHSLGTGVATNLVRRLCDRGTPPDALILESPFTNIREEAKSHPFSMVYRYLPGFDWFFLDAISANDIRFASDENVNHISCPVLILHAEDDT...
0
13,762
78,519
UN
78,519
H9BFW7
[H][C@]1([C@H](O)CO)O[C@]2(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@@]1([H])O2.[H]O[H]>>[H][C@@]1([C@H](O)[C@H](O)CO)O[C@@](O)(C(=O)[O-])C[C@H](O)[C@H]1NC(C)=O
null
CC(=O)N[C@H]1[C@H]2O[C@@](C(=O)O)(C[C@@H]1O)O[C@@H]2[C@H](O)CO.O>>CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](O)(C(=O)O)C[C@@H]1O
MEGGRCAQVSSVPASPSSGHRHRAALILARGGSKGIPLKNIKNLAGVPLIGWVLRAALDSDVDSVWVSTDHDEIERVAKLWGAKVHRRSPEVSKDSSSSLETIQEFIRLRPEVDVICHIQATSPCLHPHHINEALQKITHQGFSYVLSVVRRHQFRWEELQENEDRNPKSFNINVAQRPRRQDWPGELYENGSFYFSTRKAWESGLTELGRIAYYEMPPEFSVDIDVDIDWPVAEQRVLRFGYFGREENAAVRLFLCKVSGCLTNGQIYMSVSGEDLVTINARDVAGIQMLQKENIEVILISSVNEPLSRGVLEKVSQRA...
0
13,763
64,857
LR
64,856
A0A1G9VRW7
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
MTTRTESPTVVQLPPVYFPTALKVHPQIELMEERGLEWMARYGFCSDPVQATRVRDSRSAHFFGYLCPKADPDRLQAAVDWGYLMFAFDDVSSDGDSSALLDIAVRIVRTLEAPDANVLPSDNPYTAPIVDLATRVHRTCAPEHVRRLVDSHTKWLLGAAWECAVRQRPSINDYLSARVMYAGAEPTFTWFQLSEAVVVPEQEITSPRVRALTEMAGTVAAIDNDLYSHGKELWTRQSRSDLSGTGLDLPSCVALRDRIVARFFELRNEVLPTASPALARYLHNLTCALRGNFEWGLETERYSNPDGNHPGAVRTLGSVS...
1
13,764
59,232
UN
59,232
A0A291SJC7
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-].[H]O[H]>>[H][C@]12CC[C@@H](C)[C@]3([H])CC[C@]4(C)CCC[C@](C)(C[C@]1(C)O)[C@@]4([H])[C@]23[H].O=P([O-])([O-])OP(=O)([O-])O
4.2.3.202
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O.O>>C[C@@H]1CC[C@@H]2[C@@H]3[C@H]1CC[C@]1(C)CCC[C@](C)(C[C@]2(C)O)[C@@H]31.O=P(O)(O)OP(=O)(O)O
MHTHASRPHARQSALPRRAALFDFPASADLSPDTGAARQHTIQWLSRFRVFENHASVEEYDALRFDVLTGLFYPRATGADLNLGSDLVGWYFVFDDQFDGELGCRPEEVARLVADVIRVTEEDMAPGGTGGGEGPLLESFRDLWHRINSGRPRVWRDRFRHHWLEYLHSYHREALERTGAAPADGGGDAPRSVEDVLALRRHSIGVQPCLDLNEPFGGYTLPSALHGGFPLARMREATDDVVVFTNDIASLDKELAVGDVHNSVIVQWKLAGGGVEDAVRHIAGLANARYGWFEETAARLPELLAEAGADPGTHRAVGRY...
0