MVP / data /app /identifier_to_candidates.json
yzhouchen001's picture
sample data
6937578
{"MassSpecGymID0383256": ["CC(C)C(C1=CC(=C(C=C1)OC)OC)NC(=O)C(CCSC)NC2=CC=C3C(=CC2=O)C(CCC4=CC(=C(C(=C43)OC)OC)OC)NC(=O)C", "CO[C@H]1/C=C/C=C\\C=C\\C[C@@H](OC(=O)[C@@H](C)NC(=O)C2=CCCCC2)[C@H](C)[C@H](O)/C(C)=C/CCc2c(O)c(cc3c2SCC(=O)N3)NC(=O)C1", "C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cncc(-c3ccccc3)c2)CN1C(=O)[C@@H](CC(=O)OC(C)(C)C)C(C)(C)C)C(=O)CS(=O)(=O)C1CC1", "CCCCC1(CCCC)CN(c2ccc(NC(=O)OC(C)(C)C)cc2)c2ccc(OCC(=O)NC(C(=O)O)c3ccccc3)cc2S(=O)(=O)C1", "COC1/C=C/C=C/C=C/CC(OC(=O)C(C)NC(=O)C2=CCCCC2)C(C)C(O)/C(C)=C\\CCc2cc3c(c(c2O)NC(=O)C1)SCC(=O)N3", "C=CC[C@H]1C(=O)C(C)(C)[C@@H](O)CC(=O)O[C@H](c2ccc3sc(C)nc3c2)CC=C(C)CCC[C@H](C)[C@@H]1OC(=O)NCCCN1C(=O)C=CC1=O", "CO[C@H]1/C=C/C=C/C=C/C[C@H](OC(=O)[C@@H](C)NC(=O)C2=CCCCC2)[C@H](C)[C@@H](O)/C(C)=C\\CCc2cc3c(c(c2O)NC(=O)C1)SCC(=O)N3", "COC1/C=C/C=C/C=C/CC(OC(=O)C(C)NC(=O)C2=CCCCC2)C(C)C(O)/C(C)=C\\CCc2c(O)c(cc3c2SCC(=O)N3)NC(=O)C1", "COC1C=C/C=C/C=C/CC(OC(=O)C(C)NC(=O)C2=CCCCC2)C(C)C(O)/C(C)=C\\CCc2cc3c(c(c2O)NC(=O)C1)SCC(=O)N3", "C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)CC(=O)OCCCCCCc1ccc3ccnc(c3c1)O2)C(=O)NS(=O)(=O)C1CC1", "COC1C=CC=CC=CCC(OC(=O)C(C)NC(=O)C2=CCCCC2)C(C)C(O)C(C)=CCCc2cc3c(c(c2O)NC(=O)C1)SCC(=O)N3", "CO[C@@H]1/C=C\\C=C/C=C\\C[C@H](OC(=O)[C@@H](C)NC(=O)C2=CCCCC2)[C@@H](C)[C@H](O)/C(C)=C\\CCc2cc3c(c(c2O)NC(=O)C1)SCC(=O)N3", "CO[C@H]1/C=C/C=C/C=C/C[C@@H](OC(=O)[C@@H](C)NC(=O)C2=CCCCC2)[C@H](C)[C@H](O)/C(C)=C/CCc2c(O)c(cc3c2SCC(=O)N3)NC(=O)C1", "C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1C[C@@H](Oc2nccc3cc(OC)ccc23)CN1C(=O)[C@@H](CC(=O)C1CCCC1)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1", "C=C[C@H]1C[C@]1(CC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)CC(=O)OCCCCCCc1ccc3ccnc(c3c1)O2)C(=O)NS(=O)(=O)C1CC1", "C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1CC(Oc2nccc3cc(OC)ccc23)CN1C(=O)[C@@H](CC(=O)C1CCCC1)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1", "CCCS(=O)(=O)[C@@]1(c2ccc(-c3ccccc3)cc2)C[C@H]2C(=O)N[C@]3(C(=O)O)C[C@H]3C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N2C1", "C=CC[C@H]1C(=O)C(C)(C)[C@@H](O)CC(=O)O[C@H](c2ccc3sc(C)nc3c2)C/C=C(/C)CCC[C@H](C)[C@@H]1OC(=O)NCCCN1C(=O)C=CC1=O", "CCCCC1(CCCC)CN(c2ccccc2)c2cc(OC)c(OCC(=O)N[C@@H](C(=O)NCC(=O)OCC)c3ccccc3)cc2S(=O)(=O)C1", "CC(=O)COCCNC(=O)c1cccc(S(=O)(=O)N[C@@H](Cc2ccc(OCCCCC3CCN(C)CC3)cc2)C(=O)OCc2ccccc2)c1", "CO[C@H]1/C=C/C=C/C=C/C[C@H](OC(=O)[C@@H](C)NC(=O)C2=CCCCC2)[C@H](C)[C@@H](O)/C(C)=C\\CCc2c(O)c(cc3c2SCC(=O)N3)NC(=O)C1", "COC(=O)CCc1ccc(OCCOCC(=O)C[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)c2ccc(-c3scnc3C)cc2)C(C)(C)C)cc1", "[H]/N=C(\\CC(=O)CCCC(=O)C(C)C)c1ccc(S(=O)(=O)C/C(=N/[H])[C@@H](Cc2ccc(OCCCNC(=C)/C=C(\\C=C/C)OC)cc2)C(=O)O)cc1", "CO[C@H]1/C=C\\C=C/C=C\\C[C@@H](OC(=O)[C@@H](C)NC(=O)C2=CCCCC2)[C@@H](C)[C@H](O)/C(C)=C\\CCc2c(O)c(cc3c2SCC(=O)N3)NC(=O)C1", "CCCCCCCCCCCCOc1ccccc1NC(=O)C(Oc1ccc(C(=O)O)cc1)C1=Nc2ccccc2S(=O)(=O)N1CCOCC", "COC1C=CC=CC=CCC(OC(=O)C(C)NC(=O)C2=CCCCC2)C(C)C(O)C(C)=CCCc2c(O)c(cc3c2SCC(=O)N3)NC(=O)C1", "C=CC[C@H]1C(=O)C(C)(C)[C@@H](OC(=O)NCCCN2C(=O)C=CC2=O)CC(=O)O[C@H](c2ccc3sc(C)nc3c2)CC=C(C)CCC[C@H](C)[C@@H]1O", "CO[C@@H]1/C=C/C=C/C=C/C[C@H](OC(=O)[C@@H](C)NC(=O)C2=CCCCC2)[C@H](C)[C@@H](O)/C(C)=C/CCc2cc3c(c(c2O)NC(=O)C1)SCC(=O)N3", "CCCS(=O)(=O)[C@@]1(c2ccc(-c3ccccc3)cc2)C[C@H]2C(=O)N[C@]3(C(=O)O)C[C@H]3/C=C\\CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N2C1", "CC(C)[C@H]1C(O)[C@@H](C(N)=O)C(=O)[C@]2(O)C(O)[C@H]3C(=O)c4c(ccc(Nc5nc(C6C7CC8CC(C7)CC6C8)cs5)c4O)[C@@H](C)[C@]3(C)[C@@H](O)[C@]12C", "COCCCN1CCOc2ccc(CO[C@H]3CN(S(=O)(=O)c4ccc(C)cc4)C[C@@H](OCC(=O)N4CCCC4)[C@@H]3c3ccc(OC)cc3)cc21", "CO[C@H]1C=CC=CC=CC[C@H](OC(=O)[C@H](C)NC(=O)C2=CCCCC2)[C@@H](C)[C@@H](O)C(C)=CCCc2c(O)c(cc3c2SCC(=O)N3)NC(=O)C1", "CCCS(=O)(=O)[C@@]1(c2ccc(-c3ccccc3)cc2)C[C@H]2C(=O)N[C@]3(C(=O)O)C[C@H]3/C=C/CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N2C1", "C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cccc(-c3ccccc3)n2)CN1C(=O)[C@@H](CC(=O)OC(C)(C)C)C(C)(C)C)C(=O)CS(=O)(=O)C1CC1", "CO[C@H]1/C=C\\C=C\\C=C\\C[C@H](OC(=O)C2(NC(=O)C3CCCCC3)CC2)[C@H](C)[C@@H](O)/C(C)=C/Cc2c(O)c(cc3c2SCC(=O)N3)NC(=O)C1", "C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1C[C@@H](Oc2nccc3cc(C)ccc23)CN1C(=O)[C@@H](CC(=O)CC1CCCC1)[C@H](C)OC)C(=O)NS(=O)(=O)C1CC1", "CCCCC1(CCCC)CN(c2ccc(NC(=O)OC(C)(C)C)cc2)c2ccc(OCC(=O)N[C@@H](C(=O)O)c3ccccc3)cc2S(=O)(=O)C1", "CC(C)(C)C1=C/C(=C\\C=C\\C2=[N+](CCCCCC(=O)ON3C(=O)CCC3=O)CC(S(=O)(=O)[O-])C2(C)C)c2cc3c4c(c2O1)CCCN4CCC3", "COC1C=C/C=C/C=C/CC(OC(=O)C(C)NC(=O)C2=CCCCC2)C(C)C(O)/C(C)=C\\CCc2c(O)c(cc3c2SCC(=O)N3)NC(=O)C1", "C=CC[C@H]1C(=O)C(C)(C)[C@@H](OC(=O)NCCCN2C(=O)C=CC2=O)CC(=O)O[C@H](c2ccc3sc(C)nc3c2)C/C=C(/C)CCC[C@H](C)[C@@H]1O"], "MassSpecGymID0191002": ["C[C@@H](C1=C[C@]2(C=C[C@H]3[C@@H]2[C@@H](OC=C3C(=O)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC1=O)OC(=O)/C=C/C5=CC=C(C=C5)O", "COc1ccc(C(=O)CC(=O)c2ccc(O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)cc2O)cc1", "CC(=O)OCC1OC(Oc2ccc(-c3cc(OC(C)=O)cc(OC(C)=O)c3)cc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O", "O=C1OC(=O)C1(CCOC1OC(CO)C(O)C(O)C1O)Cc1cc2cc3c(ccc(O)c3c1=O)C1C(O)C/C(=C/2)C(O)C1O", "CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc4c(c3)OCCO4)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O", "C[C@@]12C[C@@]3(O)O[C@@H](O1)[C@@]1(COC(=O)c4ccc(O)cc4)[C@H]3C[C@@]12O[C@@H]1O[C@H](COC(=O)c2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1O", "O=C1C(c2coc3cc(O)c(O)c(C(=O)OCCOCCOCCOCCOCCO)c3c2=O)=CCc2cc(O)c(O)cc21", "CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)Cc3ccc4c(c3)OCCO4)c(O)c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O", "COC(=O)CC(C1=C(O)C(=O)C(C(CC(=O)OC)c2cc(OC)c(O)c(OC)c2)=C(O)C1=O)c1cc(OC)c(O)c(OC)c1", "C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3ccc4ccc(=O)oc4c3)[C@H](OC(=O)C=Cc3ccc(O)cc3)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O", "C[C@@H]1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@H]1OC(=O)c1cccc(OC(=O)c2cccc(O)c2)c1", "C[C@@]12C[C@@]3(O)O[C@H](O1)[C@]1(COC(=O)c4ccc(O)cc4)[C@@H]3C[C@@]12O[C@@H]1O[C@H](COC(=O)c2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1O", "CC(=O)OCc1cc(OC(C)=O)ccc1O[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O", "CC(=O)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O", "CC1OC(OCC2OC(Oc3ccc4ccc(=O)oc4c3)C(OC(=O)C=Cc3ccc(O)cc3)C(O)C2O)C(O)C(O)C1O", "CC(=O)OCC1OC(Oc2ccccc2COC(=O)c2ccccc2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O", "COc1cc(/C=C/C(=O)O[C@@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(OC(C)=O)c(OC)c2)ccc1OC(C)=O", "CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)Cc3ccc4c(c3)OCCO4)c(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O", "C[C@@]12C[C@@]3(O)O[C@@H](O1)C1(COC(=O)c4ccc(O)cc4)[C@H]3C[C@@]12O[C@@H]1O[C@H](COC(=O)c2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1O", "COC(=O)c1cc(C(=O)OC)cc(-c2ccc(OC3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)cc2)c1", "CC(=O)OC[C@H]1O[C@@H](Oc2ccccc2COC(=O)c2ccccc2OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O", "CC12CC3(O)OC(O1)C1(COC(=O)c4ccc(O)cc4)C3CC21OC1OC(COC(=O)c2ccc(O)cc2)C(O)C(O)C1O", "CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc4c(c3)OCCO4)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O", "CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc4c(c3)OCCO4)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O", "CC(=O)OCC1OC(Oc2ccc(OC(C)=O)cc2COC(=O)c2ccccc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O", "CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)Cc3ccc4c(c3)OCCO4)c(O)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O", "COC(=O)C[C@H](C1=C(O)C(=O)C([C@@H](CC(=O)OC)c2cc(OC)c(O)c(OC)c2)=C(O)C1=O)c1cc(OC)c(O)c(OC)c1", "CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)Cc3ccc4c(c3)OCCO4)c(O)c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O", "C[C@@]12C[C@@]3(O)OC(O1)[C@]1(COC(=O)c4ccc(O)cc4)C3C[C@]12O[C@@H]1O[C@H](COC(=O)c2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1O", "CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)Cc3ccc4c(c3)OCCO4)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O", "COc1cc(C(=O)O)ccc1OC1OC(COC(=O)c2cc(OC)c(O)c(OCCc3ccccc3)c2O)C(O)C(O)C1O", "CC(=O)OCC1OC(Oc2ccc(OC(C)=O)cc2C(=O)OCc2ccccc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O", "C[C@@]12C[C@@]3(O)O[C@@H](O1)[C@]1(COC(=O)c4ccc(O)cc4)[C@H]3C[C@@]12O[C@@H]1O[C@H](COC(=O)c2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1O", "COC(=O)C[C@H](C1=C(O)C(=O)C([C@H](CC(=O)OC)c2cc(OC)c(O)c(OC)c2)=C(O)C1=O)c1cc(OC)c(O)c(OC)c1", "C[C@@]12C[C@]3(OC(=O)c4ccc(O)cc4)O[C@@H](O1)[C@]1(COC(=O)c4ccc(O)cc4)[C@H]3C[C@@]12O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O", "CC1CC(O)C2(O)C(=O)c3c(ccc(-c4ccc5c(c4O)C(=O)C4(O)C6(O)CC(C)C(O)C4(CO6)O5)c3O)OC2(CO)C1O", "CC(=O)OC[C@H]1O[C@@H](Oc2ccc(OC(C)=O)cc2C(=O)OCc2ccccc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O", "O=C(O)Cc1ccc2cc(CCOC3CC4OC(=O)C=C4C=C3O)cc(OCC3OC(CO)C(O)C(O)C3O)c(=O)c2c1O", "CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc4c(c3)OCCO4)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O", "CC(=O)OC[C@H]1O[C@H](Oc2ccc(C(=O)Cc3ccc4c(c3)OCCO4)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O", "COc1cccc(C(=O)CC(=O)c2ccc(O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)cc2O)c1", "O=C(O)CCCOc1cc(OCCCC(=O)O)c2c(c1)C(=O)c1c(OCCCC(=O)O)cc(OCCCC(=O)O)cc1C2=O", "CC(=O)OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)[C@@H](OC(C)=O)[C@H]1OC(C)=O", "CC(=O)OC[C@H]1O[C@@H](Oc2ccc(OC(C)=O)cc2COC(=O)c2ccccc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O", "O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(CO)C(OC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C12", "CCOC(=O)C(C)OC(=O)C(C(=O)O)c1cc(OC)c(C)c2c1Oc1c(C=O)c(OC(C)C(=O)OCC)cc(C)c1C(=O)O2", "CC(=O)O/C=C1/O[C@@H](OC2=C(C)C(=O)c3c(O)c(C)c(C4CCC4)c(O)c3C2=O)[C@H](OC(C)=O)C(OC(C)=O)[C@@H]1OC(C)=O", "CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc4c(c3)OCCO4)c(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O", "COC(=O)Cc1c(OC2CC(OC)C(O)C(C)O2)cc2cc3c(c(O)c2c1C)C(=O)C1(O)C(=O)C=C(OC)C(O)[C@]1(O)C3=O", "CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)Cc3ccc4c(c3)OCCO4)c(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O", "CC(=O)O[C@@H]1O[C@H](COC(=O)c2ccc(OCC(=O)OCc3ccccc3)cc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O", "C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3ccc4ccc(=O)oc4c3)[C@H](OC(=O)/C=C/c3ccc(O)cc3)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O", "CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc4c(c3)OCCO4)c(O)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O", "CCc1ccc(Cc2ccc3c(c2)[C@]2(OC3)O[C@H](CC3OC(=O)O3)[C@@H](OC(=O)OC)[C@H](OC(=O)OC)[C@H]2OC(=O)OC)cc1", "COC(=O)c1ccc(COc2cccc(OC3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)c2C=O)cc1", "COc1cc(C2c3cc4c(cc3[C@@H](OC3OC5COC(C)OC5C(O)C3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1C(=O)O", "CC(=O)OCCc1cc(OC(C)=O)c(OC(C)=O)cc1-c1c(OC(C)=O)c(CCOC(C)=O)cc(OC(C)=O)c1OC(C)=O", "CC(=O)OCC1OC(Oc2ccc(C(=O)Cc3ccc4c(c3)OCCO4)c(O)c2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O", "C=C(O)/C=C1/O[C@H](c2ccc(O)c(O)c2)[C@H](OC(=O)/C=C/c2cc(O)c(O)c(O)c2)C/C1=C(/C)OC1OCC(O)(CO)C1O", "COC(=O)C[C@@H](C1=C(O)C(=O)C([C@H](CC(=O)OC)c2cc(OC)c(O)c(OC)c2)=C(O)C1=O)c1cc(OC)c(O)c(OC)c1", "C[C@H]1C[C@]2(O)OC[C@]3(Oc4ccc(-c5ccc6c(c5O)C(=O)[C@@]5(O)[C@@H](O)C[C@H](C)[C@H](O)[C@]5(CO)O6)c(O)c4C(=O)[C@]32O)[C@H]1O", "COc1cc(C(=O)O)ccc1O[C@H]1O[C@H](COC(=O)c2cc(OC)c(O)c(OCCc3ccccc3)c2O)[C@@H](O)[C@H](O)[C@H]1O", "COC(=O)C1=CO[C@@H](O[C@@H]2O[C@@H]3COC(C)(C)O[C@H]3[C@H](O)[C@H]2O)[C@H]2[C@@H]1C=C[C@@]21C=C(C(=O)c2ccc(O)c(OC)c2)C(=O)O1", "CCOC(=O)C1CCC2(CC1)OC(=O)C(=CC=CC=CC1=C(O)OC3(CCC4(CC3)OC(=O)C(C)=C(O)O4)OC1=O)C(=O)O2", "COc1cc(/C=C/C(=O)OC2[C@@H](O)[C@H](O)C(OC(=O)/C=C/c3ccc(OC(C)=O)c(OC)c3)[C@H](O)[C@@H]2O)ccc1OC(C)=O", "COc1cc(C(=O)O)ccc1O[C@@H]1O[C@H](COC(=O)c2cc(OC)c(O)c(OCCc3ccccc3)c2O)[C@@H](O)[C@H](O)[C@H]1O", "CC1C(OC(=O)c2cccc(OC(=O)c3cccc(O)c3)c2)CC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O)C3O)C21", "C[C@@H]1[C@H]2[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@H]1OC(=O)c1cccc(OC(=O)c2cccc(O)c2)c1", "CCOC(=O)C1CCC2(CC1)OC(=O)C(=C/C=C/C=C/C1=C(O)OC3(CCC4(CC3)OC(=O)C(C)=C(O)O4)OC1=O)C(=O)O2"], "MassSpecGymID0376830": ["CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NC(CCSC)C(=O)N4CCCC4C5=NC6=CC=CC=C6S5)OC)OC)OC", "C#Cc1cc2c(s1)C(C1CCCCC1)=NC(OOCCCCOC(=O)C1N=C(C3CCCCC3)c3sc(C#C)cc3N(C)C1=O)C(=O)N2C", "[C-]#[N+]C(OOCCCC(C)CCOC(=O)C(C#N)=C1Sc2ccccc2N1CCOC(=O)C=C)=C1Sc2ccccc2N1CCC(C)CC", "COc1ccc([C@@H](CCCNS(=O)(=O)c2ccc(C)s2)N2C(=O)c3cccc(N4CCN(C(C)c5ccccc5)CC4)c3C2=O)cc1OC", "[C-]#[N+]/C(OOCCCC(C)CCOC(=O)/C(C#N)=C1\\Sc2ccccc2N1CCOC(=O)C=C)=C1/Sc2ccccc2N1CCC(C)CC", "COc1ccc(C(CCCNS(=O)(=O)c2ccc(C)s2)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC", "CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc32)ccc1OC(C(=O)NS(=O)(=O)c1ccc(CC(C)C)s1)c1ccc2c(c1)OCO2", "COc1ccc(CN2CCN(S(=O)(=O)c3ccc4c(c3)Cc3cc(S(=O)(=O)N5CCN(Cc6ccc(OC)cc6)CC5)ccc3-4)CC2)cc1", "CCOC(=O)[C@H]1CCCC(=S=S)[C@H](Oc2ccc(-c3nnn(C)c3CN(Cc3ccc(OC)cc3OC)C(=O)Cc3ccccc3)cc2)C1", "C#Cc1cc2c(s1)C(C1CCCCC1)=NC(COOCCCOC(=O)C1N=C(C3CCCCC3)c3sc(C#C)cc3N(C)C1=O)C(=O)N2C", "COC(=O)c1ccc(NS(=O)(=O)c2c(-c3ccc(N4CCOCC4)cc3)sc(C(=O)NCc3ccc(CN4CCCCC4)cc3)c2C)cc1", "COC(=O)c1ccc(N(C)S(=O)(=O)c2cc(C(=O)NCc3ccc(CN4CCCCC4)cc3)sc2-c2ccc(N3CCOCC3)cc2)cc1", "COc1ccc([C@@H](CCCNS(=O)(=O)c2ccc(C)s2)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC", "CN(CC(=O)N(CC1CCCCC1)c1cc(-c2ccccc2)sc1C(=O)O)S(=O)(=O)c1ccc(-c2ccc(CN3CCOCC3)cc2)nc1", "CN(CCCn1ccc2cc(NC[C@H](O)c3ccc(O)c(NC=O)c3)ccc21)C1CCC(OC(=O)C(O)(c2cccs2)c2cccs2)CC1"], "MassSpecGymID0249628": ["CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)NC6=CC=C(C=C6)N=NC7=CC=CC=C7)C)C)C)C", "O=C(CCCCCCCC(Cc1cccc(-c2cccc(CN(CCCCCCC(=O)NO)CCc3ccccc3)c2)c1)c1ccccc1)NO", "C[C@@H]1[C@H](CN2CCCCCCC2)O[C@H](c2ccc(-c3ccccc3CNC(=O)NC34CC5CC(CC(C5)C3)C4)cc2)O[C@@H]1c1ccc(CO)cc1", "C[C@@H]1[C@H](CN2CCCCCCC2)O[C@H](c2cccc(-c3cccc(CNC(=O)NC45CC6CC(CC(C6)C4)C5)c3)c2)O[C@@H]1c1ccc(CO)cc1", "C[C@H]1[C@@H](CN2CCCCCCC2)O[C@@H](c2ccc(-c3ccccc3CNC(=O)NC34CC5CC(CC(C5)C3)C4)cc2)O[C@H]1c1ccc(CO)cc1", "C[C@H](CCC(=O)NCc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2N)cc1)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C", "C=CCCCCC/C(=N/OC(=O)c1ccccc1)c1ccc2c(c1)-c1cc(C(=O)C(C)(C)N3CCOCC3)cc(CN(CC)CC)c1C2(C)CC", "C[C@H](CCC(=O)NCc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2N)cc1)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C", "C[C@H]1[C@@H](CN2CCCCCCC2)O[C@@H](c2ccc(-c3cccc(CNC(=O)NC45CC6CC(CC(C6)C4)C5)c3)cc2)O[C@H]1c1ccc(CO)cc1", "C[C@@H]1[C@H](CN2CCCCCCC2)O[C@H](c2ccc(-c3cccc(CNC(=O)NC45CC6CC(CC(C6)C4)C5)c3)cc2)O[C@@H]1c1ccc(CO)cc1", "CC1C(CN2CCCCCCC2)OC(c2ccc(-c3ccccc3CNC(=O)NC34CC5CC(CC(C5)C3)C4)cc2)OC1c1ccc(CO)cc1", "CC1C(CN2CCCCCCC2)OC(c2ccc(-c3cccc(CNC(=O)NC45CC6CC(CC(C6)C4)C5)c3)cc2)OC1c1ccc(CO)cc1", "CCCCCCCCCCCCCCCCCCOc1ccc(/C=C/C(=O)Oc2ccc(/N=C/c3c(C)[nH]n(-c4ccccc4)c3=O)cc2)cc1", "C[C@H]1[C@@H](CN2CCCCCCC2)O[C@@H](c2cccc(-c3cccc(CNC(=O)NC45CC6CC(CC(C6)C4)C5)c3)c2)O[C@H]1c1ccc(CO)cc1", "CC1C(CN2CCCCCCC2)OC(c2cccc(-c3cccc(CNC(=O)NC45CC6CC(CC(C6)C4)C5)c3)c2)OC1c1ccc(CO)cc1", "CCCCC(CC)COc1ccc(-c2nc(C3=CC(C)Cc4ccccc43)nc(-c3ccc(OCC(CC)CCCC)c(C)c3O)n2)c(O)c1C", "C=CCCCCC/C(=N\\OC(=O)c1ccccc1)c1ccc2c(c1)-c1cc(C(=O)C(C)(C)N3CCOCC3)cc(CN(CC)CC)c1C2(C)CC", "CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(CN3c4ccc(C(=O)NCCC5CCCCC5)cc4NC3c3cccc(OCC(=O)O)c3)CCC[C@]21C"], "MassSpecGymID0240781": ["CCOC1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)OS(=O)(=O)C4=CC=C(C=C4)Cl", "O=C(O)c1ccc2oc3ccc(OCC(O)CSc4ccc(Cl)cc4)cc3c(=O)c2c1", "CCOc1ccccc1C=C1Oc2cc(OS(=O)(=O)c3ccc(Cl)cc3)ccc2C1=O", "CCOC(=O)C1(C(=O)OCC)C2=C(Sc3c(Cl)cccc31)C(=O)c1ccccc1C2=O", "O=C(OCc1ccccc1)C1(OS(=O)(=O)c2ccc(Cl)cc2)Cc2ccccc2C1=O", "COc1ccc(-c2cc(OC(=O)COc3ccc(Cl)cc3C)cc3sc(=O)oc23)cc1", "CCOc1ccccc1/C=C1\\Oc2cc(OS(=O)(=O)c3ccc(Cl)cc3)ccc2C1=O", "CCOC(=O)C1(C(=O)OCC)C2=C(Sc3cc(Cl)ccc31)C(=O)c1ccccc1C2=O", "CCOc1ccc(C=C2Oc3cc(OS(=O)(=O)c4ccc(Cl)cc4)ccc3C2=O)cc1", "COc1ccc(-c2cc(OC(=O)COc3ccc(Cl)c(C)c3)cc3sc(=O)oc23)cc1", "CCOc1ccc(-c2cc(OC(=O)COc3ccc(Cl)cc3)cc3sc(=O)oc23)cc1", "COc1ccc(-c2oc3cc(C)c(Cl)cc3c(=O)c2OC(=O)c2cccs2)cc1OC", "COc1ccc(-c2c(C)c3cc(OS(=O)(=O)c4ccc(Cl)cc4)ccc3oc2=O)cc1", "COc1ccc(-c2oc3ccc(Cl)cc3c(=O)c2OS(=O)(=O)c2ccc(C)cc2)cc1", "CCOc1ccc(/C=C2\\Oc3cc(OS(=O)(=O)c4ccc(Cl)cc4)ccc3C2=O)cc1"], "MassSpecGymID0059650": ["C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N", "NC(=O)c1cncc([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", "NC(=O)c1cccc(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)n1", "NC(=O)c1cncc([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", "NC(=O)c1cncc([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)C(O)[C@H]3O)[C@H](O)C2O)c1", "NC(=O)c1cccc([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)C(O)[C@H]3O)C(O)[C@@H]2O)n1", "NC(=O)C1=CN(C2O[C@H](COP(=O)(O)OP(=O)(O)OCC3=C(O)[C@@H](O)[C@H](n4cnc5c(N)ncnc54)O3)C(O)C2O)C=CC1", "NC(=O)c1cncc([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)c1", "NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCC3=C(O)C(O)[C@H](n4cnc5c(N)ncnc54)O3)C(O)C2O)C=CC1", "NC(=O)c1cncc([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3OC(n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1", "NC(=O)c1cccc([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)[nH+]1", "NC(=O)c1cccc([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)n1", "NC(=O)c1cccc([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)[nH+]1", "[H]/N=c1\\nc([3H])[nH]c2c1nc([3H])n2[C@@H]1O[C@H](COP(=O)(O)OP(=O)([O-])O[C@H]2[C@@H](O)[C@H]([n+]3cccc(C(N)=O)c3)O[C@@H]2CO)[C@@H](O)[C@H]1O", "NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5ncnc(N)c54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1", "NC(=O)c1cncc(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)c1", "NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2[O-])c1", "NC(=O)c1cncc([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", "NC(=O)c1cccc([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)n1", "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]2[O-])c1", "NC(=O)c1cncc([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)C(O)[C@H]3O)C(O)[C@@H]2O)c1", "NC(=O)c1cccc([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)n1", "NC(=O)c1c[nH+]cc([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", "NC(=O)c1cccc([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@@H](O)C3O)C(O)[C@@H]2O)n1", "NC(=O)c1cccc(C2OC(COP(=O)([O-])OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)[nH+]1", "NC(=O)c1ccc[n+](C2OC(COP(=O)(OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)OP(=O)([O-])O)C(O)C2O)c1", "NC(=O)c1c[nH+]cc(C2OC(COP(=O)([O-])OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)c1", "NC(=O)c1cc[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)cc1", "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]2[O-])c1", "NC(=O)c1ccc[n+]([C@]2(O)COC(COP(=O)([O-])OP(=O)(O)OC[C@H]3OC(n4cnc5c(N)ncnc54)[C@@H](O)[C@H]3O)[C@H]2O)c1", "NC(=O)c1c[nH+]cc([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", "COOP1(=O)OC[C@H]2OC(n3ccc(=O)[nH]c3=O)C(OC)[C@@H]2OP(=O)(O)OC[C@@H]2C[C@@H](O1)[C@H](n1cnc3c(N)ncnc31)O2", "[3H]c1nc(N)c2nc([3H])n([C@@H]3O[C@H](COP(=O)(O)OP(=O)([O-])O[C@H]4[C@@H](O)[C@H]([n+]5cccc(C(N)=O)c5)O[C@@H]4CO)[C@@H](O)[C@H]3O)c2n1", "NC(=O)c1c[nH+]cc([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", "NC(=O)c1cncc([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@@H](O)C3O)C(O)[C@@H]2O)c1", "NC(=O)c1cccc([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)n1", "NC(=O)c1ccc[n+](C2OC(COP(=O)([O-])OP([O-])OOCC3OC([n+]4cnc(N)c5[nH]cnc54)C(O)C3O)C(O)C2O)c1", "NC(=O)c1cccc([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)C(O)[C@H]3O)[C@H](O)C2O)n1", "NC(=O)c1cncc([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"], "MassSpecGymID0207016": ["CC(C)(C)C1=NN=C(C=C1)N2CC3CN(CC3C2)S(=O)(=O)CCC(F)(F)F", "C/N=C(\\NCc1cccc(C)c1)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1", "Cc1c(CNCCN)sc2c1c(=O)n(CC(C)C)c(=O)n2CCC(F)(F)F", "CSCCN/C(=N\\Cc1ccc(OCC(F)(F)F)cc1)NCC(=O)N(C)C", "CC1CCCN(S(=O)(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)C1", "C/N=C(\\NCc1ccc(C(F)(F)F)cc1)NCC1CCN(S(C)(=O)=O)CC1", "[H]/N=C(\\CC(=O)NC(=O)C(C)(C)NCCC(F)(F)F)C(C)(C)c1cnc(C)s1", "CCN/C(=N\\CCS(C)(=O)=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1", "CS(=O)(=O)N1CCN(C2CCN(Cc3ccc(C(F)(F)F)nc3)CC2)CC1", "C/N=C(\\NCCc1ccc(C)cc1)NC1CCN(S(=O)(=O)C(F)(F)F)CC1", "CCN/C(=N\\CCc1nc(C(F)(F)F)cs1)N1CCOC(C2CCCO2)C1", "COC(=O)CCc1cnc([C@@H]2C[C@H](N3CCN(CC(F)(F)F)CC3)CN2)s1", "CC1CCCCN1S(=O)(=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1", "C/N=C(\\NCCc1ccccc1C)NC1CCN(S(=O)(=O)C(F)(F)F)CC1", "O=S(=O)(N1CCC(CCN2CC3C=CC=C4NCC(C2)N43)CC1)C(F)(F)F", "CCN/C(=N\\Cc1ccccc1)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1", "C=CCS(=O)(=O)N1CCC(c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](CC)N3)CC1", "CCN/C(=N\\CCc1nc(C(F)(F)F)cs1)N1CCCC(C(=O)OCC)C1", "CCOC(=O)C1CCC(N/C(=N/C)NCCc2nc(C(F)(F)F)cs2)CC1", "Cn1nc(C(F)(F)F)cc1SN1CCC2(CC1)C[C@H](N1CCOCC1)CO2", "Cn1nc(C(F)(F)F)cc1S(=O)N1CC2(CN(CC3(C)CCOCC3)C2)C1", "C/N=C(\\NCCC(F)(F)F)NCC1CCN(S(=O)(=O)c2ccccc2)CC1", "C/N=C(\\NCc1ccc(S(C)(=O)=O)cc1)N1CCN(C(C)C(F)(F)F)CC1", "CC1CN(c2ncccc2S(=O)(=O)N2CCCCC2)CCN1CC(F)(F)F", "C/N=C(\\NCc1ccc(S(C)(=O)=O)c(C)c1)NC1CCN(CC(F)(F)F)C1", "O=S(=O)(c1ccc(NCC2CCN(CC(F)(F)F)CC2)nc1)N1CCCC1", "CN1CCN(S(=O)(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)CC1", "CCN/C(=N\\CCN1CCCS1(=O)=O)NCCc1ccc(C(F)(F)F)cc1", "CCN/C(=N\\CC1(c2cccc(C(F)(F)F)c2)CCC1)NCCS(N)(=O)=O", "C/N=C(\\NCCCC(=O)OC1CCCC1)NCCc1nc(C(F)(F)F)cs1", "C=CCS(=O)(=O)N1CCCC[C@@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](CC)N2", "C/N=C(\\NCCc1cccc(C)c1)NC1CCN(S(=O)(=O)C(F)(F)F)CC1", "CCN/C(=N\\Cc1ccc(S(C)(=O)=O)cc1)NC1CCN(CC(F)(F)F)C1", "CCN/C(=N\\Cc1ccc(S(=O)(=O)N2CCCC2)cc1)NCCC(F)(F)F", "C[C@H]1CCCCN1S(=O)(=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1", "Cc1c(CNCCN)sc2c1C(=O)N(C1CCC1)C(O)N2CCC(F)(F)F", "C/N=C(/NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)N(C)Cc1ccccc1", "O=S(=O)(N1CCCCCC1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1", "C/N=C(\\NCCS(=O)(=O)c1ccccc1)N1CCN(C(C)C(F)(F)F)CC1", "C/N=C(\\NCCS(=O)(=O)NCC1CCC1)NCc1cccc(C(F)(F)F)c1", "COC(=O)CCc1cnc([C@@H]2CCCN2N2CCN(CC(F)(F)F)CC2)s1", "Cc1ncc(C(C)(C)/C(N)=C/C(=O)NC(=O)C(C)(C)NCCC(F)(F)F)s1", "CCN/C(=N\\Cc1cccc(C)c1)NC1CCN(S(=O)(=O)C(F)(F)F)CC1", "C/N=C(\\NCc1ccccc1C)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1", "C/N=C(\\NCCC(F)(F)F)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1", "C=CCS(=O)(=O)N1CCCC[C@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](CC)N2", "CS(=O)(=O)N1CCCCC[C@@H]1C1CCN(c2nccc(C(F)(F)F)n2)CC1", "C[C@H]1CCCN(S(=O)(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)C1", "CCN/C(=N\\CCN1CCCS1(=O)=O)N(C)Cc1ccc(C(F)(F)F)cc1", "C[C@@H]1CCCN(S(=O)(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)C1", "O=S(=O)(c1ccc(NCC2CCN(CC(F)(F)F)C2)nc1)N1CCCCC1", "C=CCS(=O)(=O)N1CCCCC1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](CC)N2", "CCN/C(=N\\Cc1cccc(C(F)(F)F)c1)NCCN1CCS(=O)(=O)CC1", "C/N=C(\\NCCc1ccc(S(C)(=O)=O)cc1)NC1CCN(CC(F)(F)F)C1", "Cn1nc(C(F)(F)F)cc1SN1CCC2(CC1)CC(N1CCOCC1)CO2", "C/N=C(\\NCc1nc(C(F)(F)F)cs1)N1CCC(OCC2CCCO2)CC1", "CCN/C(=N\\Cc1ccc(C(F)(F)F)cc1)NCCN1CCS(=O)(=O)CC1", "C/N=C(/NCCc1ccc(C(F)(F)F)cc1)NCCN1CCS(=O)(=O)CC1", "CCN/C(=N\\CCc1ccccc1)NC1CCN(S(=O)(=O)C(F)(F)F)CC1", "C/N=C(\\NCCS(=O)(=O)NCC1CCC1)NCc1ccc(C(F)(F)F)cc1", "CS(=O)(=O)N[C@@H]1CCN(c2cc(C(F)(F)F)ccc2CN2CCNCC2)C1", "C/N=C(\\NCCc1ccccc1)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1", "CCN/C(=N\\Cc1ccc(C)cc1)NC1CCN(S(=O)(=O)C(F)(F)F)CC1", "CCCn1c(CN(C)CCC(F)(F)F)nc2cc(S(=O)(=O)N(C)C)ccc21", "Cc1nc2c(c(N3CCC(N(CC(F)(F)F)S(C)(=O)=O)CC3)n1)CCCC2", "NCc1ccnc(OCC2CC(C(F)(F)F)CN(SN3CCOCC3)C2)c1", "CN1CCCC(N2CCN(c3ccc(S(N)(=O)=O)c(C(F)(F)F)c3)CC2)C1", "C/N=C(\\NCc1ccc(C)cc1)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1", "C/N=C(\\NCc1ccc(C)cc1C)NC1CCN(S(=O)(=O)C(F)(F)F)CC1", "C/N=C(\\NCCCc1ccccc1)NC1CCN(S(=O)(=O)C(F)(F)F)CC1", "CCN/C(=N\\Cc1nc(C(F)(F)F)cs1)NCCCC(=O)OC1CCCC1", "C/N=C(\\NCCS(C)(=O)=O)NC1CCN(Cc2ccc(C(F)(F)F)cc2)C1", "CC1CN(c2ccc(S(=O)(=O)N3CCCCC3)cn2)CCN1CC(F)(F)F", "CCN/C(=N\\Cc1ccccc1C)NC1CCN(S(=O)(=O)C(F)(F)F)CC1", "C/N=C(\\NCCC(F)(F)F)NCc1ccccc1S(=O)(=O)N1CCCCC1", "C/N=C(/NCc1cccc(C(F)(F)F)c1)NCC1CCN(S(C)(=O)=O)CC1", "O=S(=O)(c1cccnc1NCC1CCN(CC(F)(F)F)C1)N1CCCCC1", "CCN/C(=N\\CCS(=O)(=O)c1ccccc1)NC1CCN(CC(F)(F)F)C1", "C/N=C(/NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)NC(C)c1ccccc1", "C[C@@H]1CCCCN1S(=O)(=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1", "C=CCS(=O)(=O)N1CCC(c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C(C)C)N3)C1", "C/N=C(\\NCCN1CCS(=O)(=O)CC1)N(C)Cc1ccc(C(F)(F)F)cc1", "C/N=C(\\NCC(C)c1ccccc1)NC1CCN(S(=O)(=O)C(F)(F)F)CC1", "C/N=C(\\NCCCS(C)(=O)=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1", "CC1NNC(C)C1S(=O)(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1", "CCS(=O)(=O)CCN/C(=N\\C)N1CCN(c2cccc(C(F)(F)F)c2)CC1", "CS(=O)(=O)N1CCCCCC1C1CCN(c2nccc(C(F)(F)F)n2)CC1", "CS(=O)(=O)N1CCCCC[C@H]1C1CCN(c2nccc(C(F)(F)F)n2)CC1", "CCc1ccccc1CN/C(=N\\C)NC1CCN(S(=O)(=O)C(F)(F)F)CC1", "CN(C)/C(=N\\Cc1ccccc1)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1", "CCCO[C@H]1C[C@@H](C(=O)NCCSC(F)(F)F)CC[C@@H]1Nc1ncccn1", "CCN/C(=N\\Cc1nc(C(F)(F)F)cs1)NC1CCC(C(=O)OCC)CC1", "CC(C)c1cccc(N/C(N)=N/CC2CCN(S(=O)(=O)C(F)(F)F)CC2)c1", "Cc1ncc(C(C)(C)C(N)=CC(=O)NC(=O)C(C)(C)NCCC(F)(F)F)s1", "C/N=C(\\NCCCS(=O)(=O)c1ccccc1)NC1CCN(CC(F)(F)F)C1", "CC(C)(C)S(=O)NC(CC[C@H]1CCN(C(=O)C(F)(F)F)C1)c1cncnc1", "C/N=C(\\NCCC(F)(F)F)NCc1cccc(S(=O)(=O)N2CCCCC2)c1", "CCN/C(=N\\CCc1nc(C(F)(F)F)cs1)N1CCC(C(=O)OCC)CC1"], "MassSpecGymID0375801": ["CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NC(CCSC)C(=O)N4CCC5=C(C4)C6=C(N5)C=CC(=C6)OC)OC)OC)OC", "CN1C(=CC2=C(NC(CS(=O)(=O)[O-])C(=O)NCCCCC(=O)O)C(=C3CCC[N+]4=C3C(C)(C)c3ccccc34)C2=O)C(C)(C)c2ccccc21", "C=CCc1cccc(C(Nc2ccc3c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nccc3c2)C(=O)NCc2ccccc2S(C)(=O)=O)c1", "Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1N(C(=O)OC(C)(C)C)S(=O)(=O)C1CCN(C(=O)OCc2ccccc2)CC1", "COc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1Cn1cc(CCC(=O)N2CCOCC2)c2ccc(C(=O)NCC3CCCC3)cc21", "CN1/C(=C/C2=C(NC(CS(=O)(=O)[O-])C(=O)NCCCCC(=O)O)/C(=C3\\CCC[N+]4=C3C(C)(C)c3ccccc34)C2=O)C(C)(C)c2ccccc21", "CC[C@H](C)[C@H](NC(=O)C(=O)C(Cc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)Cc1ccccc1)C(=O)N1CSC[C@H]1C(=O)O", "COc1ccc(C2CCCCC2)c2c1cc1n2CC2=C(C(=O)NS(=O)(=O)C3CC3)C2=C2C=CC[C@@H](C(=O)N3CC4CCCN(C(=O)O)C4C3)C21", "COc1ccc2c(c1)C1CC1(C(=O)N1CC3CCCN(C(=O)O)C3C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C3CC3)cc21", "COc1c(C)cc2c(c1O)[C@@H]1C3[C@@H]4SC[C@]5(NCCc6cc(O)c(C)cc65)C(=O)NC[C@@H](c5c6c(c(C)c(C)c54)OCO6)N3[C@@H](O)[C@H](C2)N1C", "COC(=O)C1(S(=O)(=O)NC(=O)c2ccc3c(C4CCCCC4)c4n(c3c2)CC2(C(=O)N3C5CC3CN(C)C5)CC2c2cc(OC)ccc2-4)CC1", "CCC/C=C/[C@@H](O)CC(=O)NCC(=O)N[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NC1(C(=O)NCC(=O)O)CC1", "COc1ccc2c(c1)C=C(c1c(C(=O)O)cnn1C1CCOCC1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)CC(C)C)cc21", "COc1cc2c(c(C3CCOCC3)c1)-c1c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)CC(C)C)cc3n1CC(c1[nH]ncc1C(=O)O)=C2", "Cc1cccc(C)c1-c1cc(OCC2c3ccc(C(C)(C)C)cc3CCN2C(=O)OC(C)(C)C)nc(NS(=O)(=O)c2cccc(C(=O)O)c2)n1", "C=CCc1cccc(C(C(=O)NCc2ccccc2S(C)(=O)=O)N(c2ccc3cnccc3c2)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1", "CNC(=O)[C@H](Cc1ccccc1)N(C(=O)OCc1ccccc1)C(=O)[C@H](CC(C)C)NC(=O)C(S)CCCCN1C(=O)c2ccccc2C1=O", "C/C=C/N(C(=O)C12CC1c1cc(OC)ccc1-c1c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)C4(C(=O)OC)CC4)cc3n1C2)C1CN1C", "C=C1CCC(N2C(=O)c3ccc(OCCOCCOCCOCCN(C)CCCN4c5ccccc5Sc5ccccc54)cc3C2=O)C(=O)N1", "CC(C)[C@H](NC(=O)OC[C@@H]1O[C@@H]1[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)C(C)(C)S(C)(=O)=O)c1ccccc1", "CCOC(=O)OC(C)OC(=O)c1sc(-c2ccc3c(c2)OCn2c-3nc3ccccc32)cc1N(C(=O)C1CCC(C)CC1)C1CCN(C)CC1", "COc1ccc(C(CCCNS(=O)(=O)c2cc(C)oc2C)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC", "CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\\[C@@H]2C[C@@]2(C(=O)O)CC(=O)[C@@H]2C[C@@H](n3nc(-c4ccccc4)c(-c4ccsc4)cc3=O)CN2C1=O", "C[C@@H](NC(=O)c1cc(C(=O)NCC(O)(CN[C@H]2c3ccccc3C[C@H]2O)COCc2ccccc2)cc(N(C)S(C)(=O)=O)c1)c1ccccc1", "COc1ccc2c(c1)C=C(C(=O)N1CC34COCC3(C1)N(C(C)=O)C4)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)C)cc21", "COc1ccc(C(CCCNS(=O)(=O)c2cc(C)oc2C)N2C(=O)c3cccc(N4CCN(C(C)c5ccccc5)CC4)c3C2=O)cc1OC", "CCC(C)S(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(c1c(C(=O)O)cnn1C1CCOCC1)=Cc1cc(OC)ccc1-3", "Cc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)O)CC5/C=C\\CCCSC[C@H](NC(=O)OC(C)(C)C)C(=O)N4C3)cc(-c3ccccc3)nc2c1", "C=C(C)c1cccc(C(Nc2ccc3c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nccc3c2)C(=O)NCc2ccccc2S(C)(=O)=O)c1", "CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nccc2cc(NC(C(=O)NCc3ccccc3S(C)(=O)=O)c3cccc(C4CC4)c3)ccc12", "CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)/C=C\\c2ccc3ccnc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c3c2)cc1"], "MassSpecGymID0366392": ["CC(C)C(C(=O)N1CCN(CC1)CC2=C(C(=C(C=C2)OC)OC)OC)NC3=CC=C4C(=CC3=O)C(CCC5=CC(=C(C(=C54)OC)OC)OC)NC(=O)C", "COCC(C1COC(C)(C)O1)N1CCN(C(=O)OCc2ccccc2)CCN(C(=O)OCc2ccccc2)CCN(C(=O)OCc2ccccc2)CC1", "CCOC(=O)[C@@]12C[C@H]1/C=C\\CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@]3(CC(=O)c4c(c(C(C)C)nc5ccc(OC)cc45)O3)C[C@H]1C(=O)N2", "COC(=O)[C@@H](CC(C)C)NC(=O)CNC(=O)[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C", "COC(=O)[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H](C)O", "COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1cc(OC)c(OC)c(OC)c1)C1(C(=O)NCc2ccccc2)CCN(Cc2ccccc2)CC1", "C/C1=C/C=C/C(C)[C@H](O)CC(O)C[C@H](O)CC/C=C/OC2(C)Oc3c(C)c(O)c4c(O)c(c5c(c4c3C2=O)=NC2(CCN(CC(C)C)CC2)N=5)NC1=O", "COC(=O)C(CC(C)C)NC(=O)CNC(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)C(COCc1ccccc1)NC(=O)OC(C)(C)C", "C=CCOC(=O)Nc1cc(OCCCCCOc2cc(N)c(C(=O)N3CC(=C)C[C@H]3COC(C)=O)cc2C)c(OC)cc1C(=O)N1CC(=C)C[C@H]1CC", "COC(=O)C(NC(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)OC(C)(C)C)C(C)C)C(C)O", "COC(=O)[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@H](C)O", "CO[C@H]1/C=C\\C=C(/C)C(=O)NC2=CC(=O)C(NC(=O)c3ccc(CN4CCCC4)cc3)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\\C)[C@@H]1OC(N)=O)C2=O", "CO[C@H]1C=CC=C(C)C(=O)Nc2cc(O)c(NC(=O)c3ccc(CN4CCCC4)cc3)c(c2O)C=C(C)C[C@H](OC)[C@H](O)[C@@H](C)C=C(C)[C@@H]1OC(N)=O", "CCOC(=O)[C@H](CC(C)C)NC(=O)CC[C@@H]1C[C@@H](OC(=O)NCc2cccc3ccccc23)C[C@@]2(CCC[C@H](COC(=O)NCc3ccncc3)O2)O1", "CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)COC(C)(C)C", "CC(C)(C)OC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1", "CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1", "CCC(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)C(=O)OC(C)(C)C", "CO[C@H]1/C=C\\C=C(/C)C(=O)NC2=CC(=O)C(NC(=O)c3ccc(CN4CCCC4)cc3)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\\C)[C@H]1OC(N)=O)C2=O", "CC(C)C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)C(=O)O", "C[C@H]1C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]2[C@@H](OC(=O)NCCCCCCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)C1", "O=CCN1CCN(C(C=O)COCc2ccccc2)CCN(C(COCc2ccccc2)C(=O)O)CCN(C(COCc2ccccc2)C(=O)O)CC1", "CC(=O)NC(Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)COC(C)(C)C", "COC(=O)[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)[C@H](C)O", "CC1CCC(N2C(=O)C3CC4C(=O)N(C5CCC(OC6CCC(N7C(=O)C8CC9C(=O)N(C)C(=O)C9CC8C7=O)CC6)CC5)C(=O)C4CC3C2=O)CC1", "CO[C@@H]1/C=C\\C=C(\\C)C(=O)NC2=CC(=O)C(NC(=O)c3ccc(CN4CCCC4)cc3)=C(C[C@@H](C)C[C@@H](OC)[C@@H](O)[C@@H](C)/C=C(/C)[C@H]1OC(N)=O)C2=O", "CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(OC(=O)NCc2cccc3ccccc23)CC2(CCCC(COC(=O)NCc3ccncc3)O2)O1", "COC(=O)[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H](C)O", "COC(=O)[C@@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C", "COCCCN1CCOc2ccc(COC3CN(C(=O)CCCCCO[N+](=O)[O-])C(CC(=O)NCc4ccccc4)CC3c3ccc(OC)cc3)cc21", "C=C/C=N/c1c(O)cc2c(O)c1C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)C=C(C)[C@H](OC(N)=O)[C@@H](OC)C=CC=C(C)C(=O)N2C(=O)c1ccc(CNC)cc1", "COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C", "COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C", "CC(=O)NCCN1CCCc2ccc(COC3CN(C(=O)OCCCCO[N+](=O)[O-])CCC3c3ccc(OCCCOCc4ccccc4)cc3)cc21", "C=CCNC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\\C=C(/C)C(=O)N(C(=O)c3ccc(CNC)cc3)C(=CC1=O)C2=O"], "MassSpecGymID0383258": ["CC(C)C(C1=CC(=C(C=C1)OC)OC)NC(=O)C(CCSC)NC2=CC=C3C(=CC2=O)C(CCC4=CC(=C(C(=C43)OC)OC)OC)NC(=O)C", "CO[C@H]1/C=C/C=C\\C=C\\C[C@@H](OC(=O)[C@@H](C)NC(=O)C2=CCCCC2)[C@H](C)[C@H](O)/C(C)=C/CCc2c(O)c(cc3c2SCC(=O)N3)NC(=O)C1", "C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cncc(-c3ccccc3)c2)CN1C(=O)[C@@H](CC(=O)OC(C)(C)C)C(C)(C)C)C(=O)CS(=O)(=O)C1CC1", "CCCCC1(CCCC)CN(c2ccc(NC(=O)OC(C)(C)C)cc2)c2ccc(OCC(=O)NC(C(=O)O)c3ccccc3)cc2S(=O)(=O)C1", "COC1/C=C/C=C/C=C/CC(OC(=O)C(C)NC(=O)C2=CCCCC2)C(C)C(O)/C(C)=C\\CCc2cc3c(c(c2O)NC(=O)C1)SCC(=O)N3", "C=CC[C@H]1C(=O)C(C)(C)[C@@H](O)CC(=O)O[C@H](c2ccc3sc(C)nc3c2)CC=C(C)CCC[C@H](C)[C@@H]1OC(=O)NCCCN1C(=O)C=CC1=O", "CO[C@H]1/C=C/C=C/C=C/C[C@H](OC(=O)[C@@H](C)NC(=O)C2=CCCCC2)[C@H](C)[C@@H](O)/C(C)=C\\CCc2cc3c(c(c2O)NC(=O)C1)SCC(=O)N3", "COC1/C=C/C=C/C=C/CC(OC(=O)C(C)NC(=O)C2=CCCCC2)C(C)C(O)/C(C)=C\\CCc2c(O)c(cc3c2SCC(=O)N3)NC(=O)C1", "COC1C=C/C=C/C=C/CC(OC(=O)C(C)NC(=O)C2=CCCCC2)C(C)C(O)/C(C)=C\\CCc2cc3c(c(c2O)NC(=O)C1)SCC(=O)N3", "C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)CC(=O)OCCCCCCc1ccc3ccnc(c3c1)O2)C(=O)NS(=O)(=O)C1CC1", "COC1C=CC=CC=CCC(OC(=O)C(C)NC(=O)C2=CCCCC2)C(C)C(O)C(C)=CCCc2cc3c(c(c2O)NC(=O)C1)SCC(=O)N3", "CO[C@@H]1/C=C\\C=C/C=C\\C[C@H](OC(=O)[C@@H](C)NC(=O)C2=CCCCC2)[C@@H](C)[C@H](O)/C(C)=C\\CCc2cc3c(c(c2O)NC(=O)C1)SCC(=O)N3", "CO[C@H]1/C=C/C=C/C=C/C[C@@H](OC(=O)[C@@H](C)NC(=O)C2=CCCCC2)[C@H](C)[C@H](O)/C(C)=C/CCc2c(O)c(cc3c2SCC(=O)N3)NC(=O)C1", "C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1C[C@@H](Oc2nccc3cc(OC)ccc23)CN1C(=O)[C@@H](CC(=O)C1CCCC1)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1", "C=C[C@H]1C[C@]1(CC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)CC(=O)OCCCCCCc1ccc3ccnc(c3c1)O2)C(=O)NS(=O)(=O)C1CC1", "C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1CC(Oc2nccc3cc(OC)ccc23)CN1C(=O)[C@@H](CC(=O)C1CCCC1)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1", "CCCS(=O)(=O)[C@@]1(c2ccc(-c3ccccc3)cc2)C[C@H]2C(=O)N[C@]3(C(=O)O)C[C@H]3C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N2C1", "C=CC[C@H]1C(=O)C(C)(C)[C@@H](O)CC(=O)O[C@H](c2ccc3sc(C)nc3c2)C/C=C(/C)CCC[C@H](C)[C@@H]1OC(=O)NCCCN1C(=O)C=CC1=O", "CCCCC1(CCCC)CN(c2ccccc2)c2cc(OC)c(OCC(=O)N[C@@H](C(=O)NCC(=O)OCC)c3ccccc3)cc2S(=O)(=O)C1", "CC(=O)COCCNC(=O)c1cccc(S(=O)(=O)N[C@@H](Cc2ccc(OCCCCC3CCN(C)CC3)cc2)C(=O)OCc2ccccc2)c1", "CO[C@H]1/C=C/C=C/C=C/C[C@H](OC(=O)[C@@H](C)NC(=O)C2=CCCCC2)[C@H](C)[C@@H](O)/C(C)=C\\CCc2c(O)c(cc3c2SCC(=O)N3)NC(=O)C1", "COC(=O)CCc1ccc(OCCOCC(=O)C[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)c2ccc(-c3scnc3C)cc2)C(C)(C)C)cc1", "[H]/N=C(\\CC(=O)CCCC(=O)C(C)C)c1ccc(S(=O)(=O)C/C(=N/[H])[C@@H](Cc2ccc(OCCCNC(=C)/C=C(\\C=C/C)OC)cc2)C(=O)O)cc1", "CO[C@H]1/C=C\\C=C/C=C\\C[C@@H](OC(=O)[C@@H](C)NC(=O)C2=CCCCC2)[C@@H](C)[C@H](O)/C(C)=C\\CCc2c(O)c(cc3c2SCC(=O)N3)NC(=O)C1", "CCCCCCCCCCCCOc1ccccc1NC(=O)C(Oc1ccc(C(=O)O)cc1)C1=Nc2ccccc2S(=O)(=O)N1CCOCC", "COC1C=CC=CC=CCC(OC(=O)C(C)NC(=O)C2=CCCCC2)C(C)C(O)C(C)=CCCc2c(O)c(cc3c2SCC(=O)N3)NC(=O)C1", "C=CC[C@H]1C(=O)C(C)(C)[C@@H](OC(=O)NCCCN2C(=O)C=CC2=O)CC(=O)O[C@H](c2ccc3sc(C)nc3c2)CC=C(C)CCC[C@H](C)[C@@H]1O", "CO[C@@H]1/C=C/C=C/C=C/C[C@H](OC(=O)[C@@H](C)NC(=O)C2=CCCCC2)[C@H](C)[C@@H](O)/C(C)=C/CCc2cc3c(c(c2O)NC(=O)C1)SCC(=O)N3", "CCCS(=O)(=O)[C@@]1(c2ccc(-c3ccccc3)cc2)C[C@H]2C(=O)N[C@]3(C(=O)O)C[C@H]3/C=C\\CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N2C1", "CC(C)[C@H]1C(O)[C@@H](C(N)=O)C(=O)[C@]2(O)C(O)[C@H]3C(=O)c4c(ccc(Nc5nc(C6C7CC8CC(C7)CC6C8)cs5)c4O)[C@@H](C)[C@]3(C)[C@@H](O)[C@]12C", "COCCCN1CCOc2ccc(CO[C@H]3CN(S(=O)(=O)c4ccc(C)cc4)C[C@@H](OCC(=O)N4CCCC4)[C@@H]3c3ccc(OC)cc3)cc21", "CO[C@H]1C=CC=CC=CC[C@H](OC(=O)[C@H](C)NC(=O)C2=CCCCC2)[C@@H](C)[C@@H](O)C(C)=CCCc2c(O)c(cc3c2SCC(=O)N3)NC(=O)C1", "CCCS(=O)(=O)[C@@]1(c2ccc(-c3ccccc3)cc2)C[C@H]2C(=O)N[C@]3(C(=O)O)C[C@H]3/C=C/CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N2C1", "C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cccc(-c3ccccc3)n2)CN1C(=O)[C@@H](CC(=O)OC(C)(C)C)C(C)(C)C)C(=O)CS(=O)(=O)C1CC1", "CO[C@H]1/C=C\\C=C\\C=C\\C[C@H](OC(=O)C2(NC(=O)C3CCCCC3)CC2)[C@H](C)[C@@H](O)/C(C)=C/Cc2c(O)c(cc3c2SCC(=O)N3)NC(=O)C1", "C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1C[C@@H](Oc2nccc3cc(C)ccc23)CN1C(=O)[C@@H](CC(=O)CC1CCCC1)[C@H](C)OC)C(=O)NS(=O)(=O)C1CC1", "CCCCC1(CCCC)CN(c2ccc(NC(=O)OC(C)(C)C)cc2)c2ccc(OCC(=O)N[C@@H](C(=O)O)c3ccccc3)cc2S(=O)(=O)C1", "CC(C)(C)C1=C/C(=C\\C=C\\C2=[N+](CCCCCC(=O)ON3C(=O)CCC3=O)CC(S(=O)(=O)[O-])C2(C)C)c2cc3c4c(c2O1)CCCN4CCC3", "COC1C=C/C=C/C=C/CC(OC(=O)C(C)NC(=O)C2=CCCCC2)C(C)C(O)/C(C)=C\\CCc2c(O)c(cc3c2SCC(=O)N3)NC(=O)C1", "C=CC[C@H]1C(=O)C(C)(C)[C@@H](OC(=O)NCCCN2C(=O)C=CC2=O)CC(=O)O[C@H](c2ccc3sc(C)nc3c2)C/C=C(/C)CCC[C@H](C)[C@@H]1O"]}