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t/Knapsack__dump.csv  view on Meta::CPAN

knapsack_id,compound_name,molecular_formula,exact_mass,cas,inchikey
C00000001,"Gibberellin A1,GA1",C19H24O6,348.1572885,545-97-1,JLJLRLWOEMWYQK-BKYUDGNBNA-N
C00000002,"Shikimic acid 3-phosphate,S3P",C7H11O8P,254.01915382,63959-45-5,QYOJSKGCWNAKGW-BIWBQAJPNA-N
C00038536,"Aurovertin D,(-)-Aurovertin D",C25H32O9,476.20463262,65256-31-7,UKPVUEBWITXZRF-YELUXDJBNA-N
C00038582,Bastadin 14,C34H25Br5N4O8,1011.75892831,146345-73-5,HXWATZFIMWEHEG-YUALJMAISA-N
C00038583,Bastadin 21,C34H29Br3N4O8,857.95355263,437762-27-1,TUYUXKVFCXANLL-QHTJZBTGSA-N
C00038584,"Bastadin 24,(-)-Bastadin 24",C34H26Br6N4O9,1107.68000586,1016170-12-9,MHAGECXZXFMEGD-OJYBBUQINA-N
C00038585,"Berkeleyamide A,(-)-Berkeleyamide A",C18H25NO3,303.18344367,1019854-19-3,XUYBKWQPNPBFTE-UVWHYCHGNA-N
C00038586,"Berkeleyamide B,(+)-Berkeleyamide B",C20H21NO6,371.13688741,1019854-22-8,TYALAHHUSALVLR-UHFFFAOYNA-N
C00038587,"Berkeleyamide C,(+)-Berkeleyamide C",C22H26N2O6,414.17908658,1019854-23-9,QLDSNWFOEOVFHQ-UHFFFAOYNA-N
C00038588,"Berkeleyamide D,(-)-Berkeleyamide D",C18H21NO5,331.14197279,1019854-25-1,XIINWDLLZRIJAK-UHFFFAOYNA-N
C00038589,beta-L-Homofuconojirimycin,C7H15NO4,177.10010798,125711-55-9,ZEWFPWKROPWRKE-QIJQUKAINA-N
C00038590,Betavulgaroside III,C47H72O20,956.46169474,168111-48-6,GNCYMXULNXKROG-YRMWMADHNA-N
C00038591,"Betavulgaroside V,(+)-Betavulgaroside V",C53H82O25,1118.51451817,168111-49-7,VYVPIFXAYNIMKK-BJVKLRLMNA-N
C00038592,"Betonyoside F,(-)-Betonyoside F",C34H44O19,756.24767923,181301-33-7,HDASKGQSKPVDTC-XHBZCXTENA-N
C00038593,Bidebiline E,C36H28N2O6,584.19473664,113425-61-9,ORORFDPGSXPOAI-UHFFFAOYSA-N
C00038594,Bipinnatin E,C23H24O10,460.13694699,99552-25-7,AMXQRHQMVKOSQE-ZNSZPHFHNA-N
C00038595,"Bipinnatin K,(-)-Bipinnatin K",C23H26O9,446.15768243,1020661-83-9,GXPJROHGAPZOAA-HIUAZFPXNA-N
C00038596,"Bipinnatin L,(+)-Bipinnatin L",C25H30O13,538.16864105,1020661-84-0,KQNTYLDBCDIZDP-YRHBYULONA-N
C00038597,"Bipinnatin M,(+)-Bipinnatin M",C25H30O12,522.17372642,1020661-85-1,XXCSCQVYTNDURK-VYZIPOFDNA-N
C00038598,Bipinnatin N,C20H24O6,360.1572885,1020661-91-9,SMFDDGNKJZPWQS-UHFFFAOYNA-N
C00038599,"Bipinnatin O,(+)-Bipinnatin O",C23H26O10,462.15259705,1020661-93-1,ZBWYJRQHHPDMIG-DNSXWDLYNA-N
C00038600,"Bipinnatin P,(+)-Bipinnatin P",C25H28O11,504.16316174,1020661-86-2,RNDAYVNSDZTQEQ-QQYWDQJINA-N
C00038601,"Bipinnatin Q,(+)-Bipinnatin Q",C23H26O11,478.14751167,1020661-88-4,KSXUAYYEMGKRGW-CGBYMSTNNA-N
C00038602,Bipinnatone A,C30H38O5,478.27192432,1065546-02-2,SJBBGMVJNAOUOI-VLURGLOZSA-N
C00038603,Bipinnatone B,C25H30O5,410.20932407,1065546-06-6,NJIYMLLTXNGJHV-REZTVBANSA-N
C00038604,"Bis(2,3,6-tribromo-4,5-dihydroxybenzyl) ether",C16H29Br3O3Si3,589.89746296,52897-70-8,PGWUCFFEOUVLTN-UHFFFAOYSA-N
C00038605,Bisaprasin,C44H46Br4N8O12S4,1321.88515351,112514-43-9,VVFUCWCIWIOTJW-QEYYFATHSA-N
C00038606,"Bisezakyne A,(-)-Bisezakyne A",C15H20BrClO,330.03860587,244247-14-1,CUPRGZVKNKNTTN-IMZWYYTHNA-N
C00038607,"Bisezakyne B,(-)-Bisezakyne B",C17H23BrCl2O3,424.02076292,244247-15-2,WLCJKJLAQCETBJ-NWVDLYHONA-N
C00038608,Bisgravillol,C27H40O4,428.29265977,932033-22-2,HACJVLBLYFAKNF-UHFFFAOYSA-N
C00038609,"Blepharolide A,(-)-Blepharolide A",C20H20O6,356.12598837,260969-76-4,RSPDYFDYHDJBLU-OMQMIFNENA-N
C00038610,"Blepharolide B,(-)-Blepharolide B",C20H20O5,340.13107375,260969-77-5,VXXMAEFQGRAWNP-KSGRVOAUNA-N
C00038611,Boehmerol acetate,C32H52O2,468.39673089999997,123409-83-6,LVDIOSHGTKUVMX-VGHIVREWNA-N
C00038612,Boivinide A,C36H54O14,710.35135643,960233-06-1,SPNFRQDQOJKTSQ-ZNZUWQLQNA-N
C00038613,Boivinide B,C36H54O13,694.35644181,960233-12-9,CSVNMGCNZRUZHN-LHNIQKSDNA-N
C00038614,Boivinide C,C36H56O12,680.37717725,960233-19-6,BPGWSHOXZQEBEG-PVEWUKRWNA-N
C00038615,Boivinide D,C35H52O13,680.34079175,960233-26-5,DNLXAKKKWMFLON-QMMKOHGYNA-N
C00038616,Boivinide E,C35H52O14,696.33570637,960233-32-3,ZVWJQICTCWWGNW-MNGQFYAGNA-N
C00038617,Boivinide F,C38H56O15,752.36192112,960233-36-7,PFTYEQWDSBMMNY-RFNQMGJHNA-N
C00038618,"Bonducellpin E,(+)-Bonducellpin E",C23H30O8,434.19406794,955999-16-3,ZYLJCUKCYXHXHV-BBUVWLLZNA-N
C00038619,"Bonducellpin F,(+)-Bonducellpin F",C22H28O6,388.18858863,955999-17-4,XKTJWVAVUXZAPA-MCDREQFLNA-N
C00038620,"Bonducellpin G,(+)-Bonducellpin G",C24H32O7,432.21480338,955999-18-5,IHXOABPCUNFFPZ-IHYGVPAINA-N
C00038621,"Botryolide A,(-)-Botryolide A",C10H14O5,214.08412356,1005344-34-2,BVFFUSVHPGHUFQ-ONCWJTSGNA-N
C00052018,"Nororientaline",C18H21NO4,315.14705817,,
C00052019,"Notoamide E",C26H31N3O3,433.23654188,,