MonarchInit/C3PO huggingface dataset:
Compound: Gymnasterone B
SMILES: O=C1C=C2[C@@]34O[C@@H]3C[C@@H]([C@]4(CC[C@@H]2[C@@]5([C@H]1CC(=O)CC5)C)C)[C@@H](/C=C/[C@@H](C(C)C)C)C
Compound: CJ-12,371
SMILES: O1C=2C3=C(C=CC=C3C=CC2)OC14C5=C(C(O)=CC=C5)[C@@H](O)CC4
Compound: JBIR-102
SMILES: O=C(O[C@H]1[C@](O)([C@@H]2[C@H]3O[C@H]3CCN2[C@@H]1/C=C(/C=C/C4CC4)\C)C)CC(C)C
Compound: Variecolorin C
SMILES: O=C/1N[C@H](C(=O)N\C1=C/C=2C3=C(C=CC(=C3)C[C@@H](O)C(=C)C)NC2C(C=C)(C)C)C
Compound: Myrothecol H
SMILES: O=C1C=C(C(=O)C[C@]1(O)C[C@H]2C(=C)CC[C@@H]3[C@@]2(CCC[C@]3(CO)C)C)CO
Compound: Trungapeptin B
SMILES: O=C1O[C@H](C(=O)N2[C@H](C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(N[C@H](C(N([C@H]1C(C)C)C)=O)C(C)C)=O)C)CCCC=C)[C@H](CC)C)CCC2)CC3=CC=CC=C3
Compound: Largamide A
SMILES: O=C/1N[C@@H](C(=O)N[C@H](C(=O)O[C@H](C)[C@@H](C(N[C@H](C(N\C1=C/C)=O)C)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C=C(C)C)C(C)C)CC2=CC=C(O)C=C2)CC(C)C)CCC(=O)O
Compound: 5-N-acetyl-8-isopropylardeemin
SMILES: O=C1N2C(=NC3=C1C=CC=C3)[C@H]4N([C@@H]5N(C=6C=CC=CC6[C@@]5(C4)C(C=C)(C)C)C(=O)C)C([C@H]2C(C)C)=O
Compound: Terrestrol H
SMILES: O(CC1=C(O)C=C(CC2=C(O)C=CC(=C2)O)C(=C1)O)C
Compound: Pyrenolide D
SMILES: O=C1O[C@]2(O[C@@H]3[C@@H](O)[C@@H](C)O[C@@H]3C2)C=C1
Compound: Versicol
SMILES: O=C1C2=C(O)C3=C(OC[C@@H]3CCO)C=C2C(=O)C=4C1=C(O)C=C(O)C4
Compound: Adda-D-Glu(gamma)-Mdha-D-Ala-L-Leu-D-MeAsp(beta)-L-Arg-OH
SMILES: O=C(N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)[C@@H](C(=O)N[C@H](C(=O)O)CCCN=C(N)N)C)CC(C)C)C)C(N(C(=O)[C@H](NC(=O)[C@H]([C@@H](N)/C=C/C(=C/[C@@H]([C@@H](OC)CC1=CC=CC=C1)C)/C)C)CCC(=O)O)C)=C
Compound: Protoconstipatic acid
SMILES: O=C1O[C@@H](CCCCCCCCCCCCC[C@@H](O)C)[C@@H](C1=C)C(=O)O
Compound: Daldinone E
SMILES: Cl[C@@H]1C(O)=C2C(=C(O)C=C3C2=C4C=5C(C(=O)C=C4)=C(O)C=CC35)[C@@H]([C@@H]1O)O
Compound: Ustilipid D2
SMILES: O=C(O[C@@H]1[C@@H](O[C@H](COC(=O)C)[C@H]([C@@H]1OC(=O)CCCCCCCCCCCCCCC)O)OC[C@@H](O)[C@@H](O)CO)C(C)C
Compound: Gliocladride
SMILES: O=C1N[C@H](C(=O)N[C@H]1CC2=CC=C(OC/C=C(/CCC=C(C)C)\C)C=C2)C
Compound: Beauvenniatin A
SMILES: O=C1O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(O[C@@H](C(N([C@H]1C(C)C)C)=O)C(C)C)=O)CC2=CC=CC=C2)C)C(C)C)CC3=CC=CC=C3)C)C(C)C
Compound: Hypochromin A
SMILES: O=C1C(C=2C(=O)C=C(O)C=3C2C=C4OC(C[C@@H](O)C)=CC(=C4C3O)O)=C5C(=C(O)C6=C(O)C=C(OC6=C5)CC(=O)C)C(=C1)O
Compound: Radianspene E
SMILES: O=C(O[C@@H]1[C@H](O)[C@H](C(C)C)[C@@]2([C@H]1[C@H]3OCC4=C3[C@](CC[C@@H]4O)(C)CC2)C)C
Compound: Ammosamide B
SMILES: ClC1=C(N)C2=NC(C(=O)N)=CC3=C2C(=C1N)N(C3=O)C
Compound: Pestalotether D
SMILES: O=C(OC)C1=C(OC2=C(O)C=C(OC)C=C2C(=O)OC)C=C(C)C=C1O
Compound: Phenylnannolone C
SMILES: O=C1OC(=CC=C1)/C=C/C(=C/C=C/C2=CC=C(O)C=C2)/CC
Compound: Gymnoprenol A9
SMILES: OC(C(O)CO)(CC/C=C(/CC/C=C(/CCCC(O)(CCCC(O)(CCCC(O)(CCCC(O)(CCCC(O)(CCC=C(C)C)C)C)C)C)C)\C)\C)C
Compound: 2,3-Dihydroalbocycline
SMILES: O=C1O[C@@H]([C@H](CCC=C(C)[C@H](C=C[C@](CC1)(O)C)OC)C)C
Compound: Cheimonophyllal
SMILES: O=C(C=1O[C@H]2[C@H](O)[C@@](O)(C)CC[C@H]2C1C=O)C(C)C
Compound: 3′-hydroxy-beta-rubromycin
SMILES: O=C1OC(C(=O)OC)=CC=2C1=C(O)C=3OC4(OC=5C(=O)C=6C(O)=C(OC)C=C(C6C(C5C4O)=O)OC)CCC3C2
Compound: 4,8-diphenyl-[1,3]dioxolo[4,5-d]azepine-5,7-dione
SMILES: O=C1NC(=O)C(C2=CC=CC=C2)=C3C(=C1C4=CC=CC=C4)OCO3
Compound: Decarestrictine A1
SMILES: O=C1O[C@@H](C[C@@H]2O[C@@H]2C=C[C@@H](C1)O)C
Compound: Pumilacidin B
SMILES: O=C1OC(CC(=O)NC(C(=O)NC(C(=O)NC(CC(C)C)C(NC(C(N[C@H](C(NC(C(N[C@H]1C(C)C)=O)CC(C)C)=O)CC(=O)O)=O)CC(C)C)=O)CC(C)C)CCC(=O)O)CCCCCCCCCC(C)C
Compound: 1-(1-b-Glucopyranosyl)-1H-indole-3-carbaldehyde
SMILES: O=CC=1C2=C(C=CC=C2)N(C1)C3OC(C(O)C(C3O)O)CO
Compound: 3-(3-amino-3-carboxypropyl)uridine
SMILES: NC(CCn1c(=O)ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1=O)C(O)=O
Compound: Parnafungin A1
SMILES: O=C1C2=C(O)C3=C(O)C=4C5=C6N(OC(C6=CC=C5)=O)CC4C=C3O[C@]2(C(=O)OC)[C@@H](O)CC1
Compound: Benzocamphorin B
SMILES: O1C2=C(OC)C(OC)=C(C)C(=C2OC1)C#CC(=C)C
Compound: 16-methyl-9E-nonadecenoic acid
SMILES: O=C(O)CCCCCCC/C=C/CCCCC[C@H](CCC)C
Compound: Tricycloalternarene 11a
SMILES: O=C1C2=C(OC3(CC=C(C3C2)C(CCCC(CO)C)C)C)C(OC)CC1
Compound: (2'S,3'S)-[(2E,4E)-2-methyl-hexa-2,4-dienoic acid isoleucinaldehyde]
SMILES: O=C(N[C@H](C=O)[C@H](CC)C)/C(=C/C=C/C)/C
Compound: JBIR-149
SMILES: ClC1=CC(O)=C2C(C=3OC[C@](N3)(C(=O)N[C@H](C(=O)NC(=O)OC)[C@@H]4NCCC4)C)=CN(C2=C1)C
Compound: Geumsanol E
SMILES: O=C1C=C2C=C(OC[C@H]2[C@@H]([C@@]1(O)C)OC(=O)C)/C=C/C(=C/C(CC)C)/C
Compound: Hypnosin
SMILES: O=C(O)C1=NC=CN=C1NC(=O)C
Compound: 6,7-dihydroxy-4,5,6,7-tetrahydroindole-4-one
SMILES: O=C1C2=C(NC=C2)[C@@H](O)[C@@H](C1)O
Compound: 3-hydroxy-3-phenylpropionic acid
SMILES: OC(CC(O)=O)c1ccccc1
Compound: Calcaripeptide B
SMILES: O=C1N2[C@H](C(=O)O[C@@H](CC[C@@H](C)C=C(C(CC(N[C@H]1CC3=CC=CC=C3)=O)=O)C)C)CCC2
Compound: (8E,12Z)-10,11-dihydroxyoctadeca-8,12-dienoic acid
SMILES: O=C(O)CCCCCC/C=C/C(O)C(O)/C=C\CCCCC
Compound: Aeruginosin GE642
SMILES: ClC1=C(O)C(Cl)=CC(=C1)C[C@@H](O)C(=O)N[C@@H](C(=O)N2[C@@H]3[C@@H](CC[C@H](C3)O)C[C@H]2C(=O)NCCCCN=C(N)N)C(C)C
Compound: T988 A
SMILES: S1S[C@@]2(N(C)C([C@]3(S1)N([C@H]4NC=5C=CC=CC5[C@]4([C@@H]3O)C=6C7=C(C=CC=C7)NC6)C2=O)=O)CO
Compound: Saponaceolide M
SMILES: O=C1[C@@]2(O[C@]3(OC[C@@H](CC[C@H]4C([C@H](C(=C)CC4)[C@@H](OC(=O)C)C=C5C(=O)OCC5)(C)C)CC3)[C@@](C1)(C)OC2(C)C)O
Compound: 8-epi-isochromophilone III
SMILES: ClC=1C(=O)[C@](O)([C@@H](O)[C@@H]2C1C=C(OC2)/C=C/C(=C/[C@H](CC)C)/C)C
Compound: FL-120-A
SMILES: O=C1C2=C(O)C=CC=C2C(=O)C3=C1C(=[N+]=[N-])C=4[C@@H](OC(=O)C)[C@](OC(=O)C(C)C)(C)[C@@H]([C@H](C34)O)OC(=O)C
Compound: Trichodermamide C
SMILES: O=C1OC2=C(OC)C(OC)=CC=C2C=C1N(C(=O)C3=NO[C@H]4[C@H](O)C=C[C@H]([C@]4(C3)O)O)C
Compound: Azaphilone Multiformin C
SMILES: O=C1C=C2C(=COC(=C2)C3=C(O)C=CC=C3C)C=4[C@@]1(OC(=O)C4C(=O)C(CC)C)C
Compound: Guanacastepene E
SMILES: O=C1[C@H](OC(=O)C)[C@H](C(C)C)[C@@]2([C@H]1[C@H]3OCC4=C3[C@](CC[C@@H]4O)(C)CC2)C
Compound: (22E, 24R)-23-methylergosta-7, 22-diene-3beta, 5alpha, 6beta-triol
SMILES: O[C@]12[C@@]([C@@H]3C([C@H]4[C@]([C@@H]([C@@H](/C=C(/[C@@H](C(C)C)C)\C)C)CC4)(C)CC3)=C[C@H]1O)(CC[C@@H](C2)O)C
Compound: 3-epi-petasol
SMILES: O=C1C=C2[C@]([C@H]([C@@H](O)CC2)C)(C)C[C@H]1C(=C)C
Compound: Pestalotiopyrone C
SMILES: O=C1OC=C([C@@H](O)C)C(=C1C)OC
Compound: A83094A
SMILES: O=C(C=1NC=CC1)[C@@H]2[C@@H](C=C[C@H]3[C@H]2CCC3)C=CC=C([C@@H]4O[C@@H]([C@H](C(=O)O)C)CC[C@@H]4C)CC
Compound: Saponaceolide I
SMILES: O=C1OCCC1=C[C@H](OC(=O)C)[C@H]2C(=C)CC[C@H](C2(C)C)CC[C@@H]3CO[C@]4(O[C@]5(O)C(C)(C)O[C@]4(CC5)C)CC3
Compound: 5-(3',3'-dimethylallyloxy)-7-hydroxy-6-methylphthalide
SMILES: O=C1OCC=2C1=C(O)C(=C(OCC=C(C)C)C2)C
Compound: Chondrosterin E
SMILES: O=C1C=C(C)[C@@H]2[C@]1([C@@H](O)[C@H]3CC(C)(C)C[C@@H]23)C
Compound: (S)-Malic acid-1-O-beta-D-glucopyranoside
SMILES: O=C(O)[C@@H](OC1OC(C(O)C(C1O)O)CO)CC(=O)O
Compound: Epi-Fumonisin B3
SMILES: O=C(O)[C@@H](CC(=O)O[C@@H]([C@@H](OC(=O)C[C@H](C(=O)O)CC(=O)O)C[C@H](C[C@H](O)CCCCCC[C@@H](O)[C@@H](N)C)C)[C@@H](CCCC)C)CC(=O)O
Compound: NFAT-133
SMILES: O=C(C(C(O)C(C1=C(C=C(C)C=C1)/C=C/CO)C)C)C
Compound: Akashin A
SMILES: ClC1=CC=2C(=O)C(C=3N(C=4C=CC(=CC4C3O)Cl)[C@H]5O[C@@H]([C@@H](N)[C@@H]([C@H]5O)O)C)=NC2C=C1
Compound: Penarine C
SMILES: O=C(O)[C@@]1(C[C@@]23[C@@H](C=C([C@H]2C1)C=O)CC[C@H]3C)C
Compound: (1S,8R,11S,18R,21S,24R)-10,11-dimethyl-21-(2-methylpropyl)-24-[(S)-1-methylpropyl]-3,4,10,13,14,20,23,26,27-nonaazatetracyclo[24.4.0.03,8.013,18]triacontane-2,9,12,19,22,25-hexaone
SMILES: O=C1N2NCCC[C@H]2C(=O)N3NCCC[C@@H]3C(=O)N([C@H](C(=O)N4[C@@H](C(N[C@H](C(N[C@@H]1[C@H](CC)C)=O)CC(C)C)=O)CCCN4)C)C
Compound: 5-[7-[(3R,5aR,5bR,9S,11aS,13bS)-5a,5b,8,8,9,10,11a,13b-octamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,13a-tetradecahydrocyclopenta[a]chrysen-3-yl]-2,3,4-trihydroxy-5-methyloctoxy]-4-amino-1-(hydroxymethyl)cyclopentane-1,2,3-triol
SMILES: O(C1C(O)(C(O)C(C1N)O)CO)CC(O)C(O)C(O)C(CC([C@@H]2C3[C@](C4C=CC5[C@@]6(C(C([C@@H](C)C(C6)C)(C)C)CC[C@]5([C@]4(C)CC3)C)C)(C)CC2)C)C
Compound: Acetyl-leucyl-isoleucyl-argininal
SMILES: O=C(NC(C=O)CCCN=C(N)N)C(NC(=O)C(NC(=O)C)CC(C)C)C(CC)C
Compound: Isopimara-2-one-3-ol-8,15-diene
SMILES: O=C1[C@H](O)C([C@@H]2CCC3=C([C@]2(C1)C)CC[C@@](C3)(C=C)C)(C)C
Compound: Falconensin D
SMILES: ClC1=C(OC)C(Cl)=C(C)C(=C1OC)C(=O)O[C@]2(C(=O)C=C3C=C(CCC)OC[C@H]3[C@@H]2OC(=O)C)C
Compound: Colletol
SMILES: O=C1O[C@@H](CC=CC(=O)OC(C[C@H](CC=C1)O)C)C
Compound: 3-methyl-5-(3-methylbut-2-en-1-yl)-1H-isochromen-6-ol
SMILES: O1C(=CC=2C(=C(O)C=CC2C1)CC=C(C)C)C
Compound: Anafp
SMILES: SCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CC(C)C)CO)CCCCN)CC1=CC=C(O)C=C1)CCC(=O)O)CS)CO)CC(C)C)CCC(=O)O)CC=2N=CNC2)CC(=O)N)C(O)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)CC(=O)O)CCCCN)CCCNC(=N)N)CC3=CC=C(O)C=C3)C(O)C
Compound: Didemethylallosamidin
SMILES: O=C(NC1C(OC(CO)C(C1O)OC2OC(C(O)C(C2NC(=O)C)O)CO)OC3C(O)C4N=C(N)OC4C3CO)C
Compound: Drimene-2,11-diol
SMILES: O[C@@H]1C[C@]2([C@@H](CC=C([C@@H]2CO)C)C(C1)(C)C)C
Compound: Chaetopenoid E
SMILES: O=C1C=CC2=C[C@@H](O)[C@](C[C@@]2([C@H]1C)C)(O)C(=C)CO
Compound: 2-hydroxymethyl-6-methoxymethyleugenin
SMILES: O=C1C2=C(O)C(=C(OC)C=C2OC(=C1)CO)COC
Compound: 3beta-p-hydroxybenzoyldehydrotumulosic acid
SMILES: O=C(O[C@@H]1C([C@H]2[C@](C=3C([C@]4([C@]([C@@H]([C@H](C(=O)O)CCC(=C)C(C)C)[C@@H](C4)O)(C)CC3)C)=CC2)(C)CC1)(C)C)C5=CC=C(O)C=C5
Compound: Ficiolide F
SMILES: O=C1O[C@@H](CCC(=O)CCC(=O)O[C@@H](CC[C@H](C=C1)O)C)C
Compound: Gallicynoic acid F
SMILES: O=C(O)CCCCCCCC(O)C(O)C(O)C#CC(O)CCCC
Compound: Allahabadolactone A
SMILES: O=C1O[C@@H](/C=C/[C@@H](O)C)[C@H]2[C@@]1([C@H]3[C@H](C=C2)C[C@H](C)CC3)C
Compound: Bauerine A
SMILES: ClC1=CC=2N(C=3C=NC=CC3C2C=C1)C
Compound: Inotodiol
SMILES: O[C@@H]1C([C@H]2[C@](C3=C([C@]4([C@]([C@@H]([C@@H]([C@H](O)CC=C(C)C)C)CC4)(C)CC3)C)CC2)(C)CC1)(C)C
Compound: (E)-6-(4′-hydroxy-2′-butenoyl)-strobilactone A
SMILES: O=C1OCC=2[C@@]1(O)[C@@]3([C@H](C(CCC3)(C)C)[C@@H](C2)OC(=O)/C=C/CO)C
Compound: [(2R,3R,4S,5R,6R)-6-[[(3aS,7R,7aS)-7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[(3S)-3-acetamido-6-[[(3S)-3,6-diaminohexanoyl]amino]hexanoyl]amino]-3,4-dihydroxyoxan-2-yl]methyl carbamate
SMILES: O=C1NC[C@@H](O)[C@@H]2[C@@H]1N=C(N[C@@H]3O[C@@H]([C@H](O)[C@H]([C@H]3NC(=O)C[C@@H](NC(=O)C)CCCNC(=O)C[C@@H](N)CCCN)O)COC(=O)N)N2
Compound: (2E,10Z)-2-tridecylnonadeca-2,10-dienal
SMILES: O=C/C(=C/CCCCCC/C=C\CCCCCCCC)/CCCCCCCCCCCCC
Compound: Elfvingic acid H Me ester
SMILES: O=C1C=C2[C@]([C@H](C(=C)C)C[C@@H]3[C@]2(O3)[C@]4([C@]1([C@@H](/C(=C\C(O)CC(C(=O)O)C)/C)C[C@H]4O)C)C)(CCC(=O)OC)C
Compound: Alterporriol W
SMILES: O=C1C2=C(C(=O)C=3C1=C(O)C=C(OC)C3)C(O)=C(C)C(=C2C4=C(O)C(=CC5=C4C(=O)C6=C(O)C=C(OC)C=C6C5=O)C)O
Compound: Anhydropseudophlegmacin-9,10-quinone-3'-amino-8'-O-methyl ether
SMILES: O=C1C2=C(C(=O)C=3C1=C(O)C=C(C)C3)C(C4=C5C(=C(O)C=6C4=CC=CC6OC)C(=O)CC(=C5)N)=C(O)C=C2O
Compound: (2Z,10Z,13Z)-2-tridecylnonadeca-2,10,13-trienal
SMILES: O=C/C(=C\CCCCCC/C=C\C/C=C\CCCCC)/CCCCCCCCCCCCC
Compound: TMC-95 D
SMILES: O=C1N[C@@H](C(=O)N[C@H](C(=O)N/C=C\C)[C@@H](O)[C@]2(O)C(=O)NC3=C(C=4C=C(C[C@@H]1NC(=O)C(=O)[C@@H](CC)C)C=CC4O)C=CC=C23)CC(=O)N
Compound: 18-O-b-D-Glucopyranosyl-18R-hydroxydihydroalloprotolichesterinate21-O-a-l-rhamnopyranoside
SMILES: O=C1O[C@@H](CCCCCCCCCCCCC[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@@H]([C@H]2O)O)CO)C)[C@H]([C@H]1C)C(=O)O[C@@H]3O[C@H]([C@H](O)[C@H]([C@H]3O)O)C
Compound: 5a-Cholestan-3beta-ol
SMILES: O[C@@H]1C[C@H]2[C@](C3C(C4[C@]([C@@H]([C@@H](CCCC(C)C)C)CC4)(C)CC3)CC2)(C)CC1
Compound: Penicillisterol
SMILES: O=C1[C@@H]2C3=C([C@@]4([C@@](O)(C[C@@H](O)CC4)[C@H]([C@@H]3O)O)C)CC[C@]2(C)[C@H](C1)[C@@H](/C=C/[C@@H](C(C)C)C)C
Compound: Hamigeran H
SMILES: O=C1[C@](O)(C2=C(O)C=C(C)C=C2[C@@H]3[C@]([C@H]1OC(=O)C)(CC[C@@H]3C(C)C)C)C
Compound: Dihydroepiepoformin
SMILES: O=C1[C@@H](C[C@H](O)[C@@H]2[C@H]1O2)C
Compound: Phomol
SMILES: O=C1OC(C(OC(=O)/C(=C/C(CC)C)/C)C(O)C=CC(C(C1)O)O)CCCCC
Compound: Maridomycin III
SMILES: O=C1OC(CC2OC2C=CC(O)C(CC(C(C(C(C1)OC(=O)CC)OC)OC3OC(C(OC4OC(C(OC(=O)CC)C(C4)(O)C)C)C(C3O)N(C)C)C)CC=O)C)C
Compound: Selma-4(14),7(1 I)-dlene-9-01 (I)
SMILES: OC1C2(C(C(=C)CCC2)CC(C1)=C(C)C)C
Compound: Tumescenamide A
SMILES: O=C/1O[C@@H]([C@@H](NC(=O)C(CC(CCC)C)C)C(=O)N[C@@H](C(=O)N[C@@H](C(N[C@H](C(N\C1=C/C)=O)CC2=CC=C(O)C=C2)=O)C(C)C)CC(C)C)C
Compound: Regulosone
SMILES: O=C1C=C[C@H](C1)/C=C(\[C@H]2C(=C[C@]3(CC(=C[C@@]2([C@@H]3C(C(=O)CC)=C)C)C)C)C)/C
Compound: Guineamide B
SMILES: S1C2=NC(=C1)C(=O)NC(C(C(=O)O[C@@H](C(C)C)C(N([C@H](C(N([C@H](C(N[C@H]2C)=O)CC3=CC=CC=C3)C)=O)C(C)C)C)=O)C)C
Compound: Pleosporallin E
SMILES: O=C1C(=O)C(=C(CC2=C(OC)C(=C(O)C=C2C)C)C(=C1C)O)C
Compound: 10-Methyldodecan-4-olide
SMILES: O=C1OC(CCCCCC(CC)C)CC1
Compound: Lolitrem N 10-O-propionate
SMILES: O=C1C2=C(C3=C(NC4=C3C[C@@H]5CC[C@@]6([C@@]([C@@]45C)(CC[C@H]7[C@@]68OC8[C@H](OC(=O)CC)[C@H](O7)C(O)(C)C)C)O)C=C2)C[C@H]9[C@@H]1C(OC9(C)C)(C)C
Compound: Pyriferine B
SMILES: O=C1OC(NC(=O)CC[C@H]1N)(C(O)=C2C(=O)C(OC)CCC2=C)C
Compound: A-90289 A
SMILES: S(=O)(=O)(OC1C(OC(C1O)C(OC2OC(CN)C(C2O)O)C3N(CC(OC(=O)CC(OC(=O)CC(CC(=O)OC4OC(C(OC)C(C4OC)OC)C)C)CCCCCCCCCCCCC)C(N(C3=O)C)C(=O)O)C)N5C(=O)NC(=O)C=C5)O
Compound: 4-hydroxybenzenediazonium
SMILES: OC1=CC=C([N+]#N)C=C1
Compound: Ampullosporin E1
SMILES: O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CO)CC(C)C)CCC(=O)N)C)CC(C)C)CCC(=O)N)(C)C)(C)C)C)CCC(=O)N)(C)C)CC(C)C)(C)C)C(NC(=O)C(NC(=O)C(NC(=O)C)CC=1C2=C(C=CC=C2)NC1)C)(C)C
Compound: 9-methyl-10-hexadecenoic acid
SMILES: O=C(O)CCCCCCC[C@@H](/C=C/CCCCC)C
Compound: Emestrin G
SMILES: S1[C@]23N(C)C([C@]14N([C@@H]5[C@@H](OC(=O)C=6C=CC(=C(OC=7C=C([C@@H]2O)C=CC7O)C6)OC)C=COC=C5[C@H]4O)C3=O)=O
Compound: Phomactin K
SMILES: O=C1C=2C(=C)[C@](C(C)C(C2)=O)(CC[C@@]3(C)[C@H](CC[C@@]4([C@@H]1O4)C)O3)C
Compound: Hypsiziprenol-A9
SMILES: OC(C=C)(CC/C=C(/CCCC(O)(CCCC(O)(CCCC(O)(CCCC(O)(CCCC(O)(CCCC(O)(CCC=C(C)C)C)C)C)C)C)C)\C)C
Compound: Kapurimycin A2
SMILES: O=C1C2=C(OC(=C1)C3(OC3CC)C)C4=C(O)C5=C(C(OC(=O)C)CCC5=O)C=C4C=C2CC(=O)O
Compound: Peniciadametizine A
SMILES: S([C@]12N(O[C@H]3[C@H](O)C=CC=C3C1)C(=O)[C@]4(OC=5C(OC)=C(OC)C=CC5[C@H]4SC)N(C2=O)C)C
Compound: Malevamide B
SMILES: O=C1O[C@@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N(C(C(=O)N(C(C(=O)N2[C@H](C(=O)N(C(C(C)C)C(N[C@H](C(N3[C@H](C(N(C(C(N4[C@H](C(N([C@H](C(NC(C1C)CCC)=O)CC5=CC=CC=C5)C)=O)CCC4)=O)C(C)C)C)=O)CCC3)=O)[C@H](CC)C)=O)C)CCC2)C(C)C)C)C(C)C)C)C(C)C)C)C)C(C)C
Compound: (6E)-3,5-Dihydroxy-2,6-dimethyl-7-(2-methyl-1,3-thiazol-4-yl)-6-heptenoic acid
SMILES: S1C(=NC(=C1)/C=C(/C(O)CC(O)C(C(=O)O)C)\C)C
Compound: N-salicyloyl-2-aminopropan-1,3-diol
SMILES: O=C(NC(CO)CO)C1=C(O)C=CC=C1
Compound: Salinamide C
SMILES: O=C1O[C@@H]([C@H](NC(=O)[C@@H]([C@H](O)C(C)C)C)C(=O)N[C@@H](C(=O)N[C@@H](C2=CC=C(OC)C=C2)C(N([C@H](C(N[C@@H](C(N[C@H]1COC(=O)CNC(=O)/C=C/C(=C/C)/C)=O)[C@H](O)C)=O)CC3=CC=CC=C3)C)=O)[C@H](CC)C)C
Compound: Penicibrocazine E
SMILES: S([C@@]12N(C(=O)[C@]3(SC)C[C@H]4[C@@H](N3C1=O)[C@@H](O)CCC4=O)[C@H]5[C@H](O)C=CC([C@@H]5C2)=O)C
Compound: Sterostrein H
SMILES: O=C1C=2C(=C(CO)OC2)[C@@](O)(C)[C@@H]3C1=CC(C)(C)C3
Compound: Neomacrophorin I
SMILES: O=C1C=C(C(=O)[C@H]2[C@@]1(O2)C[C@H]3C(=C)CC[C@@H]4[C@@]3(CC[C@H](C4(C)C)O)C)COC(=O)[C@H](O)[C@@H](O)C
Compound: Grecoketide A
SMILES: O=C1C(O)=C(C(=O)C2=C1C=CC(=C2O)C3O[C@H](C(OC4OC(C(O)CC4)C)CC3)C)CC(=O)O
Compound: Niduloic acid
SMILES: O=C(O)C1=CC[C@@H](C2=COC(=C2)/C=C(\C(=O)O)/C)CC1
Compound: 2',3'-diacetoxy-3,4,5',6',4''-pentahydroxy-p-terphenyl
SMILES: O=C(OC1=C(OC(=O)C)C(=C(O)C(=C1C2=CC(O)=C(O)C=C2)O)C3=CC=C(O)C=C3)C
Compound: Oxepinamide B
SMILES: O=C1N2C(=NC3=C1C=C(OC)C=CO3)[C@](O)(NC([C@H]2C)=O)[C@H](CC)C
Compound: Phomonaphthalenone A
SMILES: O=C1C2=C(O)C=C(OC)C(=C2[C@H]3O[C@@]4(C[C@H]3[C@H]1CO4)C)O
Compound: Neobulgarone C/D
SMILES: ClC1=C(O)C=C(O)C2=C1C(C=3C=C(C)C=C(C3C2=O)OC)C4C5=C(C(=O)C6=C4C=C(C)C=C6OC)C(O)=CC(=C5)O
Compound: Insuetolide A
SMILES: O=C1OC([C@@H]2CC[C@@]34[C@H]([C@]2(C=C1)C)C[C@]5(C(=O)[C@@](C3)(C[C@H]6C5(O4)COC6=O)C)C)(C)C
Compound: Lipoxazolidinone A
SMILES: O=C1N/C(=C\C(=O)/C=C(/CCCCCCC)\C)/O[C@H]1CCCC
Compound: Arenaric acid
SMILES: O=C(O)[C@H](O)[C@]1(O[C@H]([C@@](OC)(C)[C@H]([C@@H]1C)OC)C[C@H]2O[C@]3(O[C@@]([C@@H]4O[C@H]([C@@H]5O[C@@H]([C@@H](O)[C@H](/C=C(/C(=O)C)\C)C)CC5)CC4)(C)[C@@H]([C@H]3C)OC)[C@H](C)[C@@H](C2)OC)O
Compound: Neothramycin A
SMILES: O=C1N2[C@@H](O)CC[C@H]2C=NC3=C1C=C(OC)C(=C3)O
Compound: Fomefficinic acid E
SMILES: O=C1C(C2[C@](C3C([C@]4(C([C@@H]([C@H](C(=O)O)CCC(=C)C(C)C)C[C@@H]4OC(=O)C)(C)CC3)C)=CC2)(C)CC1)(C)C
Compound: Nectriapyrone C
SMILES: O=C1OC(C(=CC)CO)=CC(=C1C)OC
Compound: Sistodiolynne
SMILES: O[C@@H]1C(C#CC#C)=C[C@@H](C1)O
Compound: 16-methyloxazolomycin
SMILES: O=C1N([C@]2(C(=O)O[C@@H]2C)[C@]([C@H]1C)(O)[C@@H](OC)C[C@H]([C@@H](O)/C=C/C=C/CNC(=O)C([C@H](O)/C(=C\C=C/C=C/CC=3OC=NC3)/C)(C)C)C)C
Compound: Tanzawaic acid E
SMILES: O=C(O)/C=C/C=C/[C@H]1[C@H]2[C@H](C=C[C@H]1C)C[C@](O)(C)C[C@@H]2C
Compound: 14-hydroxypaspalinine
SMILES: O=C1C=C2[C@@]3(O)[C@@]([C@]4(C=5NC=6C=CC=CC6C5C[C@@H]4C[C@@H]3O)C)(CC[C@@]27O[C@@H]1C(O7)(C)C)C
Compound: (3'-hydroxybutan-20-yl)5-oxopyrrolidine-2-carboxylate
SMILES: O=C1N[C@H](C(=O)OC(C(O)C)C)CC1
Compound: Gymnasterol
SMILES: O1[C@@]23C4=C[C@H](O)C5=C[C@@H](O)CC[C@@]5([C@H]4CC[C@@]2([C@@H](C(/C=C/C(C(C)C)C)C)C[C@@H]13)C)C
Compound: 6,12-dihydroxy-8-methoxy-3-methyl-1-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-12H-benzo[a]anthracen-7-one
SMILES: O=C1C=2C(O)=CC3=CC(C)=CC(=C3C2C(O)C=4C1=C(OC)C=CC4)O[C@@H]5O[C@H]([C@H](O)[C@H]([C@H]5O)O)C
Compound: Orfamide B
SMILES: O=C1OC(C(NC(=O)C(NC(=O)C(NC(=O)CC(O)CCCCCCCCCCC)CC(C)C)CCC(=O)O)C(=O)NC(C(=O)NC(C(=O)NC(CO)C(NC(C(NC(C(NC(C(NC1C(C)C)=O)CO)=O)CC(C)C)=O)CC(C)C)=O)CC(C)C)C(C)C)C
Compound: Lapidosin
SMILES: O=C1C2=C(OC=C1/C(/O)=C/C(=O)C)C(O)=C(OC)C=C2C(=O)OC
Compound: Misakimycin
SMILES: O=C1C(OC)=CC(=O)C2=C1C=C(OC)C(=C2O)C
Compound: Aestivophoenin B
SMILES: O=C(O[C@@H]1O[C@H](C(O)C(C1O)O)C)C2=C3NC4=C(C=C(C(=O)C5=CC=CC=C5)C=C4CC=C(C)C)N(C3=CC=C2)CC=C(C)C
Compound: Resormycin
SMILES: ClC1=C(O)C=C(/C=C(\NC(=O)[C@@H](NC(=O)C[C@@H](N)CCCCN)C(O)(C)C)/C(=O)O)C=C1O
Compound: [1-(2′-methylpropoxy)-2-hydroxy-2-methylpropoxy]butane
SMILES: O([C@H](OCCCC)C(O)(C)C)CC(C)C
Compound: 2-amino-3-cyclopropyl-butanoic acid
SMILES: O=C(O)[C@@H](N)C(C1CC1)C
Compound: Flammulinolide E
SMILES: O=C1OCC2=C1C3=CC(C)(C)C[C@@H]3C[C@@]2(O)C
Compound: Fumiquinazoline P
SMILES: O=C1N2C(=NC3=C1C=CC=C3)C(N(C)C([C@H]2C[C@@]4(O)C5=C(C=CC=C5)N6[C@@H]4N(C(=O)C)C7(CC7)C6=O)=O)=C
Compound: Verrucarin Z
SMILES: O=C1O[C@H]2[C@@]3([C@@]4([C@@H](C=C(C(=O)O)CC4)O[C@H](C2)[C@]35OC5)COC(=O)C6OC6(C)CCOC(C=CC=C1)=O)C
Compound: Pestaloficiol K
SMILES: O=C(OC=1C2=C(OC(C1)(C)C)C(=CC(=C2)O)CC=C(C)C)C
Compound: Azolemycin B
SMILES: S1C(=NC(=C1)C=2OC(C)=C(N2)C(=O)N[C@H](C(=O)OC)[C@H](CC)C)C=3N=C(C=4N=C([C@@H](NC(=O)/C(=N/O)/C(C)C)C(C)C)OC4)OC3C
Compound: Flagranone B
SMILES: O=C1C=C(C(=O)C2C1(O2)C(OC(=O)C)/C=C(/C=C/C=O)\C)COC(=O)C
Compound: Rubrocashmeriquinone
SMILES: O=C1C(O)=CC(O)=C2C1=CC3OC(C)=CC(C3C2=O)=O
Compound: Paraphaeosphaerin A
SMILES: O=C1OC(=CC=2C1=C(O)C=C(O)C2)/C=C/C=C\[C@H]3O[C@@H]3C[C@H](O)C
Compound: Cladobotric acid E
SMILES: O=C(OC)C1=CC[C@H]2[C@H](/C=C/C=C/C=C/C(=O)O)[C@](O)([C@]3(O[C@@H]3[C@@H](CC)C)C)C(=C[C@@H]2C1)C
Compound: Solphenazine E
SMILES: O=C(OC)C=1C2=NC=3C(=C(O[C@@H]4O[C@H]([C@H](O)[C@H]([C@H]4O)O)C)C=CC3)N=C2C=CC1
Compound: Pezizolide E
SMILES: O=C1OCC(=C1C=CC)[C@@H](O)[C@@H](O)CC
Compound: Salinipostin G
SMILES: [P@]1(=O)(OC(=C2C(=O)OC[C@H]2CO1)CCC)OCCCCCCCCCCCCCC
Compound: Tenellic acid C
SMILES: O=C(O)C1=C(OC)C(=CC=C1OC2=C(O)C=C(C)C=C2C=O)[C@@H](OC(=O)C)CC(C)C
Compound: Fomitellanol A
SMILES: O=C1C=C(CO)C=2[C@H]1[C@@]3(C=4C(=CC=C(C4C2)O)O[C@@H]3OC(C)C)C
Compound: VM48130
SMILES: O=C1O[C@@H]2C[C@@]3(O[C@H](/C(=C/C)/C)[C@@H](C)[C@@H]([C@H]3O)OC(=O)C(C)C)O[C@@H](C2)CC=C(C[C@H](C=CC=C4[C@]5([C@H]1C=C([C@@H](O)C5OC4)C)O)C)C
Compound: Platensimycin A3
SMILES: O=C1C=C[C@@]23C[C@@]4(O)C[C@@H](C2[C@@]1(CCC(=O)NC5=C(O)C(C(=O)O)=CC=C5O)C)O[C@]4(C3)C
Compound: Terrenolide S
SMILES: O=C1O[C@](C(=O)OC)(CC2=CC=C(O)C=C2)C(=C1OCC)C3=CC=C(O)C=C3
Compound: Guignardone J
SMILES: O=C1C2=C(O[C@@]3(CC[C@H]([C@@H]3C2)C(=C)C)C)[C@@H](O)C[C@@]1(O)CO
Compound: Mycophenolic acid ethyl ester
SMILES: O=C1OCC=2C1=C(O)C(=C(OC)C2C)C/C=C(/CCC(=O)OCC)\C
Compound: (E)-5,9-Dihydroxydodec-6-enoic acid
SMILES: O=C(O)CCCC(O)/C=C/CC(O)CCC
Compound: Thalabetaospiramide A3
SMILES: O=C1N[C@H](C(=O)N([C@H](C(=O)OC[C@@H](C=C1)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCCCCCCCC)CC2=CC=C(O)C=C2)C(C)C)CO)C(C)C)CC3=CC=C(O)C=C3)C)C(C)C
Compound: Bafilomycin B1
SMILES: O=C1OC(C(OC)C=CC=C(CC(C(C(C=C(C=C1OC)C)C)O)C)C)C(C(O)C(C2(OC(C(C)C(C2)OC(=O)/C=C/C(=O)NC3=C(O)CCC3=O)C(C)C)O)C)C
Compound: Penidilamine
SMILES: O=C1OC(C)C=C1NC=2C(=O)OC(C2)C
Compound: Malyngamide E
SMILES: O=C1C(=CC(C)C(C1(C)C)O)C(O)C(NC(=O)CC/C=C/CC(OC)CC(CCCCCCC)C)COC
Compound: Heptaibin
SMILES: O=C(N1[C@H](C(=O)N[C@H](C(=O)NC(C(=O)N2[C@H](C(=O)NC(C(=O)N[C@H](CO)CC3=CC=CC=C3)(C)C)C[C@H](C2)O)(C)C)CCC(=O)N)C[C@H](C1)O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)[C@@H](NC(=O)C)CC4=CC=CC=C4)(C)C)(C)C)(C)C)C(C)C)CC(C)C)(C)C)(C)C
Compound: Panosialin B
SMILES: S(=O)(=O)(OC1=CC(OS(=O)(=O)O)=CC(=C1)CCCCCCCCCCCCCCC)O
Compound: Curacin C
SMILES: S1C(=N[C@@H](C1)/C=C\CC/C=C/C=C(\CC[C@@H](OC)CC=C)/C)[C@H]2[C@@H](C)C2
Compound: (7-Isopropenyl-4-methyl-6,7-dihydro-1-az
SMILES: O=C(OCC=1C=2C(C(=CC[C@@H](C2)C(=C)C)C)=CC1)CCCCCCCCCCCCCCCCC
Compound: Curvularin-7-O-beta-D-glucopyranoside
SMILES: O=C1O[C@H](CCCCCC(C2=C(C1)C=C(O)C=C2O[C@@H]3O[C@@H]([C@@H](O)[C@@H]([C@H]3O)O)CO)=O)C
Compound: Mabetaarigenin C
SMILES: O=C1C=C[C@H](C)[C@]2([C@@H]1O)C(=O)OC([C@H]2O)=C
Compound: Erinacerin A
SMILES: O=C1N(CC2=C1C=C(OC)C3=C2O[C@](CC3)(CC(=O)C=C(C)C)C)CCC4=CC=CC=C4
Compound: Luminacin H
SMILES: O=C(C1=C(O)C(=C(O)C(=C1)CC(C)C)C(=O)C)C(C2O[C@@H](O)C3(O[C@H]3CC)[C@@H](C2)O)CCC
Compound: Nigerrimin B
SMILES: O=C(N[C@H](CO)CC1=CC(O)=C(O)C=C1)C2=CC(O)=C(O)C=C2
Compound: JBIR-16
SMILES: O=C1N(O)CCCC1NC(=O)CNC(=O)C(NC(=O)C2=C(O)C(O)=CC=C2)CCCNC(=O)C3=C(O)C(O)=CC=C3
Compound: Mycemycin D
SMILES: ClC1=C(C=2OC3=C(C=CC=C3)C(NC2C(=C1)C(=O)N)=O)C
Compound: Chevalone A
SMILES: O=C1OC(=CC2=C1C[C@H]3[C@]4([C@@H]([C@@]5([C@H](C([C@@H](O)CC5)(C)C)CC4)C)CC[C@@]3(O2)C)C)C
Compound: Epicocconigrone A
SMILES: O=C1C2=C(O)C(O)=C(O)C(=C2[C@H]3OC4=C([C@@H]1O3)C(=C(C)C(=C4O)O)C=O)C
Compound: Asterriquinone CT4
SMILES: O=C1C(O)=C(C(=O)C(=C1C=2C3=C(C(=CC=C3)CC=C(C)C)NC2)O)C=4C5=C(C(=CC=C5)CC=C(C)C)NC4
Compound: 7'-Hydroxyseiridin
SMILES: O=C1OCC(=C1C)C(O)CCCCC(O)C
Compound: NP25301
SMILES: O=C(N)C1=CC(OC(C(=O)OC)=C)=CC=C1
Compound: Fumarylcarboxyamido-L-2, 3-diaminopropionyl-L-alanine
SMILES: O=C(NC[C@H](N)C(=O)N[C@H](C(=O)O)C)/C=C/C(=O)N
Compound: Solonamide B
SMILES: O=C1O[C@@H](CC(=O)N[C@H](C(=O)N[C@@H](C(N[C@@H](C(N[C@H]1CC(C)C)=O)C)=O)CC(C)C)CC2=CC=CC=C2)CCCCC
Compound: Saquayamycin Z
SMILES: O=C1C2=C(OC3=C1[C@@]4(O)C(=O)C[C@@](O[C@@H]5O[C@H]([C@@H](O[C@@H]6O[C@@H]([C@@H](O)[C@@H](C6)O[C@@H]7O[C@H]([C@@H](O[C@@H]8O[C@@H]([C@@H](O)[C@@H](C8)O[C@@H]9O[C@H]([C@@H](O)CC9)C)C)CC7)C)C)CC5)C)(C)C[C@@]4(O)C=C3)C(O)=C([C@@H]%10O[C@@H]([C@@H](O[C@@H]%11O[C@H](C(O[C@@H]%12O[C@H]([C@@H](O[C@@H]%13O[C@H](C(=O)C=C%13)C)CC%12)C)[C@H](C%11)O)C)[C@@H](C%10)O)C)C=C2
Compound: 13-Demethoxy-13-methylascomycin
SMILES: O=C1N2[C@H](C(=O)O[C@H](/C(=C/[C@H]3C[C@@H](OC)[C@H](O)CC3)/C)[C@@H]([C@@H](O)CC(=O)[C@H](CC)C=C(C[C@@H](C[C@@H]([C@H]4O[C@](C1=O)(O)[C@@H](C[C@@H]4C)C)OC)C)C)C)CCCC2
Compound: Cytosporone Q
SMILES: O=C1O[C@@H](CCCCCCCO)C2=C1C=C(O)C(=C2O)O
Compound: Brasilamide C
SMILES: O=C(N)/C(=C/C(=O)CC12C3[C@@H](C(CO)(CC1C3)OC2)C)/C
Compound: Saquayamycin F
SMILES: O=C1C2=C(O)C(=CC=C2C(=O)C3=C1C=CC4(C3(O)C(=O)CC(OC5OC(C(OC6OC(C(=O)C=C6)C)CC5)C)(C)C4)O)C7OC(C(OC8OC(C(=O)CC8)C)C(C7)O)C
Compound: Waikialoid B
SMILES: O=C1N2[C@@]3(C(=O)NC14C(C(C5=[N+]([O-])C6=C(C75[C@@H]4N8C(=O)[C@@]9%10N(CCC9)C(C8%11C(C(C)(C)C=%12[C@]([C@H]7%11)(O)C%13=C(C%14=C(OC(C)(C)C=C%14)C=C%13)[N+]%12[O-])C%10)=O)C=CC%15=C6C=CC(O%15)(C)C)(C)C)C3)CCC2
Compound: Aeruginosin GE766
SMILES: BrC1=C(O)C(Cl)=CC(=C1)C[C@@H](O)C(=O)N[C@@H](C(=O)N2[C@@H]3[C@@H](CC[C@H](C3)OS(=O)(=O)O)C[C@H]2C(=O)NCCCCN=C(N)N)[C@H](CC)C
Compound: Inubosin C
SMILES: OC=1C2=NC3=C(O)C=CC=C3C=C2C=C(C1)CO
Compound: Chlorophellin C
SMILES: ClC1=C(Cl)C(OC)=C(Cl)C(=C1OC2=C(Cl)C(OC)=C(Cl)C(=C2OC3=C(Cl)C(OC)=C(Cl)C(=C3O)Cl)Cl)Cl
Compound: 6-(16-D-Mannosyl-heptadecanyl)-salicylic
SMILES: O=C(O)C1=C(O)C=CC=C1CCCCCCCCCCCCCCC[C@H](O[C@@H]2OC([C@@H](O)C(C2O)O)CO)C
Compound: Clerocidin
SMILES: O=CC1=CCCC2C1(CCC(C2(CC3OC4OC5(O)C6(OC6)C(CC7(C8C(C(=CCC8)C=O)(CCC7C)C)C)OC5OC4(C39OC9)O)C)C)C
Compound: BE-32030B
SMILES: O=C1N(O)CCCCC1NC(=O)CC(OC(=O)C(NC(=O)C2(N=C(C3=C(O)C=CC=C3)OC2)C)CCCCN(O)C(=O)CCCCCCCCCCCCC)C
Compound: YM-254890
SMILES: O=C1NC(C(=O)N(C(C(=O)NC(C(=O)N(C(C(OC)C)C(OC(C(C(OC(C(N(C1=C)C)=O)CC2=CC=CC=C2)=O)NC(=O)C)C)=O)C)C(OC(=O)C(NC(=O)C)C(O)C(C)C)C(C)C)C)C)C
Compound: AAL Toxin Tb1
SMILES: O=C(O)[C@@H](CC(=O)O[C@H]([C@H](O)[C@@H](CC)C)C[C@H](CCCCCC[C@@H](O)C[C@H](O)CN)C)CC(=O)O
Compound: Marinobactin B
SMILES: O=C1NCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CCCN(O)C(=O)C)CO)CCCN(O)C(=O)C)CO)NC(C(C1O)NC(=O)CCCCC/C=C\CCCCCC)=O
Compound: 11-hydroxy-4,5-dioxododecanoic acid
SMILES: O=C(O)CCC(=O)C(=O)CCCCC[C@@H](O)C
Compound: Epi-Herbarumin II
SMILES: O=C1O[C@@H]([C@@H](O)[C@@H](O)C=CCC[C@@H]1O)CCC
Compound: Antascomicin D
SMILES: O=C1N2[C@H](C(=O)O[C@H]([C@@H](C[C@H]3C[C@@H](O)[C@H](O)CC3)C)CC[C@@H](C=CCCC=CC([C@@H]([C@H]4O[C@](C1=O)(O)[C@@H](CC4)C)C)=O)C)CCC2
Compound: Antascomicin B
SMILES: O=C1N2[C@H](C(=O)O[C@H]([C@@H](C[C@H]3[C@H](O)[C@@H](O)[C@H](O)CC3)C)CC[C@@H](C=CCCC=CC([C@@H]([C@H]4O[C@](C1=O)(O)[C@@H](CC4)C)C)=O)C)CCCC2
Compound: Isofunicone
SMILES: O=C1C(OC)=C(OC=C1C(=O)C2=C(OC)C=C(O)C=C2C(=O)OC)/C=C/C
Compound: Nigrospin C
SMILES: O=C(CC(O)(C)C)C[C@H]1O[C@@H]([C@@H](C)C=2C1=C(O)C=C(O)C2C)C
Compound: 4'-Deoleandrosyl-6,8a-seco-6,8a-deoxyave
SMILES: O=C1OC2CC3(OC(C(C)C=C3)C(CC)C)OC(C2)CC=C(C(OC4OC(C(O)C(C4)OC)C)C(C=CC=C(C5(C1C=C(C(O)C5)C)O)C)C)C
Compound: Deflectin 1b
SMILES: O=C1C=C2C(=COC(=C2)C)C=3[C@]1(OC(=O)C3C(=O)CCCCCCCCC)C
Compound: Peronatin A
SMILES: O=C1C2=C(C=CC=C2N[C@]1([C@@]3(NC=4C=CC=C(C4C3=O)C)C)C)C
Compound: Roseoferin E2
SMILES: O=C(NC(C(=O)NC(CNCCO)C)(C)C)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(CCCCCC)C)CCC1)CC(CC(O)CC(=O)CC)C)C)(C)C)C(CC)C)C(C)C)(C)C
Compound: Fisheacid
SMILES: O=C(O)C1C(C2=CC3=C(C=CC=C3)CC2C(=O)O)=CC=4C=CC=CC4C1
Compound: Etrogol acetate
SMILES: O=C(OCCC1=CC=C(OCC=C(C)C)C=C1)C
Compound: Microginin 99-A
SMILES: ClCCCCCCC[C@@H](N)CC(=O)N[C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N1[C@H](C(=O)O)CCC1)CC2=CC=C(O)C=C2)C)CC(C)C)CC3=CC=C(O)C=C3
Compound: Tanzawaic acid D
SMILES: O=C(O)/C=C/C=C/C1=C2C(=CC=C1C)C[C@@](O)(C)C[C@H]2C
Compound: Actinoranone
SMILES: O=C1C2=C(OC)C=C(OC)C=C2[C@H]([C@H](O)/C=C(/CC[C@@H]3C(=CC[C@H]4[C@]3(CCCC4(C)C)C)C)\C)CC1
Compound: Brasilinolide C
SMILES: O=C1O[C@@H]([C@H]([C@@H]2O[C@H]2[C@@H](O)CCC[C@@H](O)C[C@H](O)C[C@H]3O[C@](C[C@H]([C@@H](CC[C@@H](C[C@H](C[C@H](CC=C1)O)O)O)C)O)(O)[C@H](O)[C@H](C3)O)C)[C@H]([C@@H](O)[C@@H]([C@@H](O)[C@H]([C@@H](O[C@@H]4O[C@H]([C@@H](O)[C@H](C4)O)C)C)C)C)C
Compound: Cosmomycin C
SMILES: O=C1C2=C(O)C3=C([C@@H](O[C@@H]4O[C@H]([C@@H](O[C@@H]5O[C@H]([C@@H](O[C@@H]6O[C@H]([C@@H](O)CC6)C)CC5)C)[C@H](C4)N(C)C)C)[C@@](O)(CC)C[C@@H]3O[C@@H]7O[C@H]([C@@H](O[C@@H]8O[C@H]([C@@H](O[C@@H]9O[C@H]([C@@H](O)CC9)C)[C@H](C8)O)C)[C@H](C7)N(C)C)C)C(=C2C(=O)C=%10C1=C(O)C=CC%10)O
Compound: 7-hydroxydeacetylbotryenalol
SMILES: O=CC1=C2[C@]([C@H](O)C([C@@H]2[C@@H](O)C[C@H]1C)(C)C)(CO)C
Compound: Phlebiachrysoic acid D
SMILES: O=C1C(OC)=CC(=O)C(=C1CCCCCCC/C=C\CCCCCCCC(=O)O)O
Compound: Micropeptin 478-B
SMILES: ClC1=C(O)C=CC(=C1)C[C@@H]2N(C(=O)[C@@H](N3C(=O)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC([C@H]([C@H](OC([C@@H](NC2=O)C(CC)C)=O)C)NC(=O)[C@H](OS(=O)(=O)O)COS(=O)(=O)O)=O)CC[C@H]3O)C(CC)C)C
Compound: SF2809-I
SMILES: O=C1N(C2=C(C=CC=C2)C(=C1CC=3NC=4C=CC=CC4C3CCNC(=O)C)O)C
Compound: Maltacine B1a
SMILES: O=C1OCCCCC(NC(=O)C(NC(=O)C(NC(=O)C2NCCC2)CCC(=O)N)CC3=CC=C(O)C=C3)C(=O)NC(C(=O)NC(C(=O)NC(C(O)C)C(NC(C(NC(C(NC(C(NC(C(NC1C(CC)C)=O)CC4=CC=C(O)C=C4)=O)CCCCO)=O)CCCN)=O)CC5=CC=C(O)C=C5)=O)CCC(=O)O)C
Compound: Daldiniside B
SMILES: O=C1OC(=CC=2C1=C(O)C=C(O[C@H]3O[C@H](CO)[C@H]([C@H]3O)O)C2)C
Compound: Tasipeptin A
SMILES: O=C1O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)CCC)C(C)C)C(=O)N[C@H](C(=O)N[C@H]2CC[C@H](N([C@H](C(N([C@H](C(N[C@H]1C(C)C)=O)CC3=CC=CC=C3)C)=O)CC(C)C)C2=O)O)CC(C)C)C
Compound: Lutoside
SMILES: O=C(OC[C@H]1O[C@H](OC[C@@H](O)COC(=O)CCCCCCCCCCCCCC)[C@@H](O)[C@H]([C@@H]1O)O[C@H]2O[C@@H]([C@@H](O)[C@@H]([C@@H]2O)O)CO)CCCCCCCCCCCC(C)C
Compound: Berkeleyacetal A
SMILES: O=C1[C@@]2(C(=O)OC)[C@@]3([C@H](C(=C4CC(=O)OC(C4=CC3)(C)C)C)C[C@@]5([C@H]2[C@@H](OC5=O)O[C@H]1C)C)C
Compound: 24-hydroxyverruculogen
SMILES: O=C1N2[C@H](C(=O)N3[C@@]1(O)[C@@H](O)C=4C5=C(C=C(OC)C=C5)N6C4[C@@H]3CC(OO[C@@H]6/C=C(/CO)\C)(C)C)CCC2
Compound: 13-hydroxy-apotrichothec-9-ene
SMILES: O1[C@]2([C@@](CCC2)(C)[C@@]3([C@@H]1C=C(CC3)C)C)CO
Compound: Penipaline C
SMILES: O=CC=1C2=C(C(=CC=C2)C/C=C(/CO)\C)NC1
Compound: 5aTHQ-9n
SMILES: N1C2=C(C(=CC=C2)CCCCCCCCC)CCC1
Compound: 8,2'-Demethoxy-steffimycin C
SMILES: O=C1C2=C(O)C3=C(C[C@](O)(C)C[C@@H]3OC4OC(C(O)C(C4O)O)C)C=C2C(=O)C=5C1=C(O)C=C(OC)C5
Compound: Plocamenol C
SMILES: BrC([C@H](O)C/C=C(/C(=O)CBr)\C)(CCl)C
Compound: Viridicatic acid
SMILES: O=C1O[C@@H](CC(=O)O)C(=C1C(=O)CCCCC)O
Compound: Terretrione B
SMILES: O=C1N(C(=O)C(CC2=CC=CC=C2)C(N(C1C(C)C)C)=O)C
Compound: Tanzawaic acid K
SMILES: O=C(O)/C=C/C=C/[C@H]1[C@](O)(C=C[C@@H]2[C@@H]1[C@@H](C[C@@H](C2)C)C)C
Compound: Norquinadoline A
SMILES: O=C1N2C(=NC3=C1C=CC=C3)C(NC([C@H]2C[C@]4(O)C5=C(C=CC=C5)N6[C@H]4N[C@@H](C)C6=O)=O)=C(C)C
Compound: Coprophilin
SMILES: O=C(OC)/C=C/C=C/[C@@H]1[C@@H]2[C@@H](C=C[C@@H]1C)C[C@@H](C)[C@@H]([C@H]2C)O
Compound: Asterriquinone SU-5500
SMILES: O=C1C(OC(=O)C)=C(C(=O)C(=C1C=2C3=C(C=CC=C3)NC2CC=C(C)C)O)C=4C5=C(C=CC=C5)NC4CC=C(C)C
Compound: Pigmentosin A
SMILES: O=C1OC(CC=2C1=C(O)C3=C(O)C=C(OC)C(=C3C2)C4=C(OC)C=C(O)C=5C4=CC=6CC(C)OC(C6C5O)=O)C
Compound: 5-[(5-hydroxymethyl-furan-2-yl)methoxy-methoxymethyl]-furan-2-carbaldehyde
SMILES: O=CC=1OC(CO[C@H](OC)C=2OC(CO)=CC2)=CC1
Compound: Pinicolic acid E
SMILES: O=C1C([C@H]2[C@](C3=C([C@]4([C@]([C@@H]([C@H](C(=O)O)CCC=C(C)C)[C@@H](C4)O)(C)CC3)C)CC2)(C)CC1)(C)C
Compound: Palmarumycin CP2
SMILES: O=C1C2=C(O)C=CC=C2C3(OC=4C=5C(C=CC4)=CC=CC5O3)CC1
Compound: Trichorovin-IXa
SMILES: O=C(N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C(C(=O)NC(CO)CC(C)C)CCC2)(C)C)CC(C)C)CC(C)C)CCC1)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)(C)C)CCC(=O)N)C(C)C)CC(C)C)(C)C
Compound: TMC-151 D
SMILES: O=C(OC[C@@H](O)[C@H](O)[C@H](O)CO)/C(=C/[C@@H]([C@H](O)/C(=C/[C@@H]([C@H](O)/C(=C/[C@@H]([C@H](O[C@@H]1O[C@@H]([C@@H](O)[C@@H]([C@@H]1O)O)CO)[C@H](C[C@H](C[C@H](CC)C)C)C)C)/C)C)/C)C)/C
Compound: Theibetaenolactone C
SMILES: O=C1O[C@H](C)[C@@H]2C1=C[C@@H](O)[C@H](/C=C/C)O2
Compound: Aspergione E
SMILES: O=C1C2=C(OC(=C1C)C)C3=C(C[C@](OC)(C)OC3)C=C2
Compound: 2,3-hydro-7-deacetoxyyanuthone A
SMILES: O=C1C=C([C@@H](O)[C@H]([C@@]1(O)C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)O)C
Compound: (7S,8S,8aS)-7,8-dihydroxy-3,5,7-trimethyl-8,8a-dihydro-1H-isochromen-6(7H)-one
SMILES: O=C1C(=C2C=C(OC[C@H]2[C@@H]([C@@]1(O)C)O)C)C
Compound: 5,6-Dehydrokawain
SMILES: COc1cc(\C=C\c2ccccc2)oc(=O)c1
Compound: 3-O-methylgallate
SMILES: COc1cc(cc(O)c1O)C([O-])=O
Compound: 12a-dehydroxyisoterreulactone A
SMILES: O=C1OC([C@]2(O)CC[C@@]3([C@@H]([C@]2(CC1)C)CC=4C(=O)OC(=CC4O3)C5=CC=C(OC)C=C5)C)(C)C
Compound: Virescenoside T
SMILES: O=C1C2=C([C@]3(CCC([C@@]([C@@H]3C1)(CO[C@@H]4O[C@@H]([C@@H](O)[C@H]([C@@H]4O)O)CO)C)=O)C)CC[C@@](C2)(C=C)C
Compound: Selesconol
SMILES: O=C1C2=C(O)C=CC=C2C3=C4C5=C(C(=O)C=C4)C(O)=CC=C5C=6C=7C3C(C1)CC(=O)C7C(O)=CC6
Compound: Pityriacitrin B
SMILES: O=C(O)C1=NC(=C2NC3=C(C2=C1)C=CC=C3)C(=O)C=4C5=C(C=CC=C5)NC4
Compound: C-1027 chromophore-V
SMILES: ClC1=C2C=CC3=C1C4=CC=C[C@]4(O[C@@H]5OC([C@@H](N(C)C)[C@H]([C@H]5O)O)(C)C)[C@@H]3OC6=C(Cl)C=C([C@H](CC(OC[C@@H]2OC(=O)C7=C8NC(=O)C(=C)OC8=CC(=C7)OC)=O)N)C=C6O
Compound: Heronamide A
SMILES: O=C1N2[C@@H]([C@@H](O)C[C@H]2C/C=C/C=C/CCC)[C@H]3[C@@H]1C=CC=C([C@H]4[C@H](O)[C@H](O)C=C[C@@H]4C=C3C)C
Compound: 1,1,3-tris(3-indolyl)butane
SMILES: N1C2=C(C=CC=C2)C(=C1)C(C=3C4=C(C=CC=C4)NC3)C[C@@H](C=5C6=C(C=CC=C6)NC5)C
Compound: YM-47515 degradation product
SMILES: O=C(O)CCCCCCCCCCC[C@@H]1O[C@H]1C(=O)C
Compound: Altromycin I
SMILES: O=C1C2=C3OC(=CC(C3=C(O)C=C2C(=O)C=4C1=C(O)C(=CC4)C5OC(C(OC6OC(C(O)C(C6)OC)C)C(C5)(N(C)C)C)C)=O)C7(OC7C)C
Compound: Acropyrone
SMILES: O=C1OC(/C(=C/C(=O)O)/C)=CC(=C1C)OC
Compound: Rubetauphelin B
SMILES: ClC1=C(OC2=C(OC)C(OC3=C(Cl)C=C(O)C=C3Cl)=CC(=C2)O)C(Cl)=CC(=C1)O
Compound: (2Z,6S)-3-Chloromethyl-1-methoxylocta-2,7(10)-dien-6-ol
SMILES: ClC/C(=C\COC)/CC[C@H](O)C(=C)C
Compound: Striatoid A
SMILES: O1[C@]2(O)[C@@]3(O)[C@@H](OC[C@H]2O)O[C@H]4[C@H]3[C@@H]([C@H]1OC)CC[C@@H]5C6=C(C(C)C)C[C@@H]([C@]6(C)CC[C@@]45C)O
Compound: TMC-2A
SMILES: O=C(N[C@H](C(=O)O)CC(CO)CO)[C@H]1N(C(=O)[C@@H](N)CC=2C3=C(C=CC=C3)NC2)CC=4C(O)=C(OC)C(=CC4C1)O
Compound: Expansol B
SMILES: O(C1=CC(O)=C(CC2=CC(O)=C([C@@](O)(CCCC(C)C)C)C=C2)C(=C1)C)C3=CC(O)=CC(=C3)C
Compound: Grabetaypeptolide C
SMILES: S1C2=N[C@@H](C1)C(=O)N[C@@H](C=3SC[C@H](N3)C(=O)N([C@@H](C(=O)N[C@@H](C(=O)N[C@@H]([C@H](C(O[C@H](C(N([C@H](C(N4[C@H](C(N([C@H]2CC5=CC=CC=C5)C)=O)CCC4)=O)C(C)C)C)=O)CC6=CC=CC=C6)=O)C)C)[C@H](O)C)CC(C)C)C)CC
Compound: 7-Hydroxysordaricin
SMILES: O=C(O)C12C(=CC3C1(C[C@H]4[C@H](C2(C=O)C3)CC[C@@]4(O)C)CO)C(C)C
Compound: Leptosphaerone B
SMILES: O=C1C=C(C[C@@H]([C@@]1(O)C)O)C
Compound: Brasilamide H
SMILES: O=C1O/C(=C/[C@@H](C(=O)N)C)/C=C1C2CCC(=C)CC2
Compound: Shearinine D
SMILES: O=C1C=C2[C@@]3(O)[C@@]([C@]4(C=5NC=6C=C7C8=CC(OC([C@H]8[C@@H](C7=CC6C5C[C@@H]4CC3)O)(C)C)(C)C)C)(CC[C@@]29O[C@@H]1C(O9)(C)C)C
Compound: methyl 25-hydroxy-3-epidehydrotumulosate
SMILES: O=C(OC)C([C@@H]1[C@@]2([C@@](C=3C([C@@]4([C@H](C([C@H](O)CC4)(C)C)CC3)C)=CC2)(C)C[C@H]1O)C)CCC(=C)C(O)(C)C
Compound: Pentenocin A
SMILES: O=C1C(O)C(O)(C(O)C)C2C1O2
Compound: Aspochalasin N
SMILES: O=C1[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3C=C(CCCC(C[C@H]1CC(=O)C)=O)C)C)CC(C)C
Compound: (E)-3',4'-didehydro-beta,psi-caroten-16'-ol
SMILES: OC/C(=C/C=C/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(CCCC1(C)C)C)\C)\C)/C)/C)/C)/C
Compound: Carbazoquinocin A
SMILES: O=C1C(=O)C2=C(NC3=C2C=CC=C3)C(=C1C)CC[C@H](CC)C
Compound: Quinomeran
SMILES: O=C(OC)[C@@H](O)CC(=O)C1=NC=2C(=CC=CC2)C=C1
Compound: Cladosporol D
SMILES: O=C1C2=C(C(O)=CC=C2[C@@H]3C4=C(C(O)=CC=C4)C(=O)CC3)[C@@H](O)[C@H](C1)O
Compound: Grincamycin E
SMILES: O=C1C2=C(O)C(=CC=C2C(=O)C3=C1C=C4C(=O)C[C@@](CC4=C3O)(O[C@@H]5O[C@H]([C@@H](O[C@@H]6O[C@H](C(=O)CC6)C)CC5)C)C)[C@@H]7O[C@@H]([C@@H](O[C@@H]8O[C@H]([C@@H](O[C@@H]9O[C@H](C(=O)CC9)C)CC8)C)[C@@H](C7)O)C
Compound: Oteromycin
SMILES: O=C1NC(O)(CC2=CC=CC=C2)C=C1C(=O)C3[C@@H](C(=C[C@]4([C@H]3CC[C@H](C4)C)C)C)/C(=C/C(=C/C)/C)/C
Compound: Germicidin B
SMILES: O=C1OC(=CC(=C1CC)O)C(C)C
Compound: HMP-M3
SMILES: O=C1C2=C(OC(=C1)CCC)C(=C(C(=O)O)C=C2CC(=O)O)C(=O)C3=C(O)C=CC=C3O
Compound: (+)-applanatumol I
SMILES: O=C1OC[C@]2([C@@]1(CC[C@H]2O)CC(=O)C3=C(O)C=CC(=C3)O)C(=O)O
Compound: Chrysospermin A
SMILES: O=C(N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CO)CC=2C3=C(C=CC=C3)NC2)CCC(=O)N)(C)C)(C)C)(C)C)CCC1)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CC4=CC=CC=C4)(C)C)CO)(C)C)(C)C)CC(C)C)CCC(=O)N)(C)C)(C)C)C)C)(C)C
Compound: FR901512
SMILES: O=C(O)CC(O)CC(O)/C=C/C1=C2C(=CC=C1C)CC(C)CC2OC(=O)C
Compound: A-25822-L
SMILES: O=C1N=C2C3=C([C@@]4([C@H](C[C@@H](O)CC4)CC3)C)CC[C@]2(C)C(C1)[C@@H](CCC(=C)C(C)C)C
Compound: Pestalrone B
SMILES: O=C1O[C@](OC)(C[C@@H]2[C@H]1O2)CCCCC
Compound: Aspergione F
SMILES: O=C1C2=C(OC(=C1C)C)C3=C(C[C@](O)(C)OC3)C=C2
Compound: 11,12-dihydroxysydonic acid
SMILES: O=C(O)C1=CC(O)=C([C@@](O)(CCCC(O)(CO)C)C)C=C1
Compound: WS-5995 A
SMILES: O=C1OC=2C(=O)C3=C(O)C=CC=C3C(C2C4=C1C=C(C)C=C4OC)=O
Compound: 2-deoxy-4alpha-hydroxyoblongolide X
SMILES: O=C1[C@@]2([C@@H](C=C[C@H]3[C@H]2CC[C@H](C3)C)[C@H](O)O[C@@H]1CO)C
Compound: 3-O-acetylecdysone 2-phosphate
SMILES: [H][C@@]1(CC[C@@]2(O)C3=CC(=O)[C@]4([H])C[C@@H](OC(C)=O)[C@H](C[C@]4(C)[C@@]3([H])CC[C@]12C)OP(O)(O)=O)[C@H](C)[C@H](O)CCC(C)(C)O
Compound: Colisiderin A
SMILES: O=C1O[C@@H](C(O)CCCCCC)C(=C1C)C(=O)O
Compound: Phomactin C
SMILES: O=C1C2=CC[C@@H](C)[C@@]([C@H]2C=O)(CCC(C)=CCC[C@@]3([C@@H]1O3)C)C
Compound: Gostatin
SMILES: O=C1C(=C(NC[C@@H]1N)C(=O)O)CC(=O)O
Compound: Splenocin J
SMILES: O=C1O[C@H]([C@H](O)[C@@H](CC2=CC=CC=C2)C(O[C@@H]([C@@H]1NC(=O)C3=C(O)C(NC=O)=CC=C3)C)=O)C
Compound: Antimycin A20
SMILES: O=C1O[C@H]([C@H](OC(=O)C)[C@@H](CCCCCC)C(O[C@@H]([C@@H]1NC(=O)C2=C(O)C(NC=O)=CC=C2)C)=O)C
Compound: Varitriol
SMILES: O1[C@@H](/C=C/C2=C(C(OC)=CC=C2)CO)[C@H](O)[C@@H]([C@H]1C)O
Compound: (1S,2R)-3-oxo-2-pentylcyclopentane-1-hexanoic acid
SMILES: O=C1[C@@H]([C@@H](CCCCCC(=O)O)CC1)CCCCC
Compound: (+)-applanatumol O
SMILES: O=C(O)[C@]1(CC(=CCC1)C=O)CC(=O)C2=C(O)C=CC(=C2)O
Compound: Virescenoside Z6
SMILES: O=C(O)C1OC(OC[C@]2([C@@H](O)CC[C@]3([C@H]2C[C@@H](O)C=4[C@@H]3CC[C@@](C4)(C=C)C)C)C)C(O)C(C1O)O
Compound: Pseudouridimycin
SMILES: O=C1NC(=O)C([C@@H]2O[C@H](CNC(=O)[C@@H](N(O)C(=O)CN=C(N)N)CCC(=O)N)[C@H]([C@H]2O)O)=CN1
Compound: Caryolane-1,7alpha-diol
SMILES: O[C@@]12[C@@H]3[C@H](C(C)(C)C3)C[C@@H]([C@@](C1)(CCC2)C)O
Compound: Blennolide J
SMILES: O=C1C2=C(O)C(C3=C(O)C=4C(O)=C5C(=O)C[C@@H](C)[C@@H]([C@@]5(C(=O)OC)OC4C=C3)O)=CC=C2O[C@](C1)(C(=O)OC)[C@H]6OC(=O)C[C@@H]6C
Compound: Cytosporin J
SMILES: O1C([C@@H](O)C[C@@]23[C@@H]1C(=C(C=CCCC(O)CC)[C@@H](O)[C@@H]2O3)CO)(C)C
Compound: [D-Asp3, (Z)-Dhb7]microcystin-HtyR
SMILES: O=C/1N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)CC(=O)N[C@@H](CCCN=C(N)N)C(N[C@H]([C@@H](C(N[C@H](CCC(N\C1=C/C)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](OC)CC2=CC=CC=C2)C)/C)=O)CCC3=CC=C(O)C=C3)C
Compound: Ganotropic acid
SMILES: O=C1C2=C([C@@]3([C@@H](O)C[C@]4([C@]3(C1)C)O[C@]5(OC(=O)C(C5)C)C[C@H]4C)C)[C@@H](O)C[C@@H]6[C@@]2(CC[C@@H](C6(C)C)O)C
Compound: MKN-004C
SMILES: O=C1O[C@@H](C)[C@@H]([C@@H]1CCC(C)C)O
Compound: Taxlllaid F
SMILES: O=C(O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCCC(C)C)[C@H](O)C)C)CC(C)C)CC(C)C)CC(C)C)CC(C)C)C
Compound: (2S)-2-amino-4-(3,4-dihydroxy-5-methoxybenzoyl)oxybutanoic acid
SMILES: O=C(OCC[C@H](N)C(=O)O)C1=CC(OC)=C(O)C(=C1)O
Compound: 4,25-dehydrominiolutelide B
SMILES: O=C1OC(C2=C[C@H]3O[C@]4(O)[C@@H](O[C@H]5[C@]6([C@@]4([C@@]3([C@H](C(C2=C1)=C)C[C@]6(C(=O)O5)C)C)C(=O)OC)O)C)(C)C
Compound: Methoxyhygromycin
SMILES: O=C(NC1[C@H](O)[C@@H](O)C(OC)[C@H]([C@@H]1O)O)/C(=C/C2=CC(O)=C(O[C@@H]3O[C@H](C(=O)C)[C@H]([C@@H]3O)O)C=C2)/C
Compound: 5'-hydroxystaurosporine
SMILES: O=C1NCC=2C1=C3C=4N([C@H]5O[C@@](N6C4C2C7=C6C=CC=C7)([C@@H](OC)[C@H]([C@@H]5O)NC)C)C8=C3C=CC=C8
Compound: Ganoleucoin K
SMILES: O=C1C2=C(C(=O)C[C@@H]3[C@@]2(CCC([C@]3(COC(=O)C[C@@](O)(CC(=O)O)C)C)=O)C)[C@@]4(C(=O)C[C@@H]([C@]4([C@H]1O)C)[C@@H](CC/C=C(/C(=O)O)\C)C)C
Compound: Cyclocarbamide A
SMILES: O=C1OC(NC(=O)CC(C)C)=C(C)C([C@H]2N1CCC2)=O
Compound: Phomopsolidone A
SMILES: O=C1OC(C(OC(=O)/C(=C/C)/C)/C=C/[C@H](O)[C@@H](O)C)C=C1
Compound: 2-chloro-3-hydroxy-alpha-chamigren-9-one
SMILES: ClC1C(O)(CC[C@@]2(C1)C(=CC(=O)CC2(C)C)C)C
Compound: Georgamide
SMILES: O=C1N[C@H](C(=O)N([C@H](C(=O)N2[C@H](C(=O)O[C@@H]([C@@H](CC)C)C(N([C@H](C(N[C@H](C(OC(C1(C)C)CCCC#C)=O)C(C)C)=O)C(C)C)C)=O)CCC2)CC3=CC=CC=C3)C)[C@H](O)C
Compound: Nodulisporisteroid D
SMILES: O=C(OC)CC[C@@]1(C2=C([C@H]3[C@]([C@@H](C(=O)C)CC3)(C)CC2)CC[C@H]1[C@@H](O)C)C
Compound: Marfuraquinocin C
SMILES: O=C1C(OC)=CC(=O)C2=C1C=C(O)C3=C2O[C@H](CO)[C@]3(CCC4C(=C)CCCC4(C)C)C
Compound: IB-96212
SMILES: O=C1OC2C(C3(OC(C(C)CC3)C(C(O)CC)C)OC(C2C)CCC(C=CC=CCC(C)C(C(C(C(C(C(C(C(C(C(C=C1)C)O)C)O)O[C@@H]4O[C@@H]([C@H](O)CC4)C)O)O)O)(O)CCC)O)CC(O)C)C
Compound: Malevamide E
SMILES: O=C1N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N2[C@H](C(=O)N([C@H](C(=O)N([C@@H](C(OC(CCCC=CCCC(CC=CC=C1C)OC)C)=O)C)C)CC(=O)NC)C)CCC2)C(C)C)C)C(C)C)C)CC3=CC=CC=C3)C)C(C)C
Compound: TMC-2B
SMILES: O=C(N[C@H](C(=O)O)CC(CO)C)[C@H]1N(C(=O)[C@@H](N)CC=2C3=C(C=CC=C3)NC2)CC=4C(O)=C(OC)C(=CC4C1)O
Compound: Gymnopilin A-10
SMILES: O=C(OC[C@@H](O)C(O)(CC/C=C(/CC/C=C(/CCCC(O)(CCCC(O)(CCCC(O)(CCCC(O)(CCCC(O)(CCCC(O)(CCC=C(C)C)C)C)C)C)C)C)\C)\C)C)CC(O)(CC(=O)O)C
Compound: Ganosinoside A
SMILES: O=C1C(C2[C@](C3=C([C@]4([C@]([C@@H]([C@H](C(=O)O[C@@H]5O[C@@H]([C@@H](O)[C@@H]([C@H]5O)O)CO)CCC=C(C)C)CC4)(C)CC3)C)CC2)(C)CC1)(C)C
Compound: Brevicompanine H
SMILES: O=C1N2[C@@H]3N(C=4C=CC=CC4[C@]3(C(C=C)(C)C)C[C@H]2C(=O)N[C@H]1C(C)C)C(=O)CC
Compound: N-methylsansalvamide
SMILES: O=C1O[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](C(N[C@H](C(N[C@H]1CC(C)C)=O)CC2=CC=CC=C2)=O)CC(C)C)C(C)C)CC(C)C
Compound: A-1437-B
SMILES: O=C1N2C(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NCC(NC(C(NC(C(N3C(C(NC(C1NC(=O)C(NC(=O)C/C=C/CCCCCCCC(C)C)CC(=O)O)C)=O)CCC3)=O)C(C)C)=O)C(N)C)=O)CC(=O)O)CC(=O)O)C(C(=O)O)C)CCCC2
Compound: 4'-Demethyl-Af-formyl-7V-hydroxy-staurosporine
SMILES: O=C1NCC=2C1=C3C=4N([C@@H]5O[C@](N6C4C2C7=C6C=CC=C7)([C@H](OC)[C@@H](C5)N(O)C=O)C)C8=C3C=CC=C8
Compound: TU-185
SMILES: O=C1NC(=NCCC[C@H](N)C(=O)O)NC1C
Compound: Variecolorin N
SMILES: O=C/1N[C@H](C(=O)N\C1=C/C=2C3=C(C(=CC=C3)CC4OC4(CO)C)NC2C(C=C)(C)C)C
Compound: Gymnoascolide B
SMILES: O=C1O[C@@H](OC)C(=C1C2=CC=CC=C2)C(O)C3=CC=CC=C3
Compound: Sarcodonin
SMILES: O=C1OC2=C(C=CC(=C2)C3=C(OC(=O)C)C(OC(=O)C)=C(C4=CC=C(OC(=O)C)C=C4)C(=C3O)O)OC1(N(O)C(=O)/C(=N/O)/[C@H](CC)C)[C@H](CC)C
Compound: Chlorocyclinone A
SMILES: ClC1=C(OC)C2=C3C(=O)C4=C(C(O)=C(CC)C(=C4)C(=O)OC)C(C3=C(O)C=C2C=C1C)=O
Compound: CJ-14515
SMILES: O=C1OC(O)[C@@]23O[C@@H]2[C@H]4OC([C@@]5([C@H]4[C@@](C3=C1)(CCC5)C)C)=O
Compound: 10,11,12-Guaianetriol
SMILES: S(=O)(=O)(OCC(O)([C@H]1C[C@@H]2[C@@H](CC[C@@H]2C)[C@@](CC1)(O)C)C)O
Compound: Pestaloporonin B
SMILES: O1[C@]23C(C[C@@H]2C(CO)=C[C@H]1[C@](CO)(C)C[C@@H]3O)(C)C
Compound: Syringolin E
SMILES: O=C1NCCCCC(NC(=O)C(NC(=O)NC(C(=O)O)C(CC)C)C(C)C)C(NC(C=C1)C(C)C)=O
Compound: Stereumin K
SMILES: O=C1O[C@@H]2C(=CC[C@@H]3[C@@H]2C(=C1CO)[C@H](O)C[C@H]3C)C
Compound: Annullatin D
SMILES: O=C1O[C@@H](CCCC)C=2C1=C3O[C@@H](C(O)(C)C)CC3=CC2
Compound: Griseoviridin
SMILES: S1C=2C(=O)NCC=CC=C[C@@H](O)C[C@@H](CC3=NC(C(N[C@H](C1)C(=O)O[C@@H](CC2)C)=O)=CO3)O
Compound: 7-Chlororubrocashmeriquinone
SMILES: ClC1=C(O)C2=C(O)C=3C(=O)C=C(C)OC3C=C2C(C1=O)=O
Compound: Appenolide A
SMILES: O=C1OCC(=C1C)/C=C/CCCCCC(=O)C
Compound: Phomenin B
SMILES: O=C1OC(/C(=C/C(=C\C)/C)/C)=CC(=C1C)OC
Compound: Homoorsellinic acid
SMILES: O=C(O)C1=C(O)C=C(O)C=C1CC
Compound: Chaetochiversin A
SMILES: ClC1=C(O)C=C(O)C2=C1C=C(/C=C/C=C\[C@H]3O[C@@H]3C[C@H](O)C)OC2=O
Compound: Teicoplanin product II
SMILES: ClC1=C2OC3=C(OC4OC(C(O)C(C4NC(=O)CCC(O)CCCCCC)O)CO)C=5OC6=C(Cl)C=C(CC7NC(=O)C(N)C=8C=CC(=C(OC=9C=C(C(C(NC(C(=C3)C5)C(=O)NC%10C(NC(C(C(=C1)C=C2)OC%11OC(C(O)C(C%11NC(=O)C)O)CO)C(=O)NC(C%12=C(C(OC%13OC(C(O)C(C%13O)O)CO)=CC(=C%12)O)C=%14C=C%10C=CC%14O)C(=O)O)=O)=O)NC7=O)C=C(O)C9)C8)O)C=C6
Compound: Prototenellin C
SMILES: O=C1N[C@@H](CC2=CC=C(O)C=C2)C(C1=C(O)/C(=C/C(=C/C(O)(C(O)C)C)/C)/C)=O
Compound: Cordyheptapeptide B
SMILES: O=C1N([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N(C)[C@@H](C(N2[C@H](C(N(CC(N[C@H]1CC3=CC=CC=C3)=O)C)=O)CCC2)=O)CC4=CC=CC=C4)CC(C)C)[C@H](CC)C)CC5=CC=CC=C5)C
Compound: Chloropupukeanolide D
SMILES: Cl[C@]12C(OC)=C[C@]3(C(=O)OC)[C@]4([C@@]1(O)C(C5=C[C@H](O)[C@H]6[C@@]([C@@H]5O)(O6)CC=C(C)C)=C[C@]2(C3)C)OC(=O)C=7C(O)=CC(=CC7O4)C
Compound: N-methoxyseptorinol
SMILES: O=C1N(OC)C(=C(OC)N=C1C(CC)C)C(O)C2=CC=C(O)C=C2
Compound: (2S,3R,6R)-3-methoxy-2-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaene-4,16-dione
SMILES: O=C1[C@H](OC)[C@@]2(O[C@H](C1)N3C=4C(=C5C(=O)NCC5=C6C4N2C7=C6C=CC=C7)C8=C3C=CC=C8)C
Compound: 5,6-Dehydrolupanine
SMILES: O=C1CCC=C2[C@@H]3C[C@@H](CN12)[C@@H]1CCCCN1C3
Compound: 3-amino-3-(4-hydroxyphenyl)propanoate
SMILES: NC(CC([O-])=O)c1ccc(O)cc1
Compound: 4-hydroxybenzoyl alpha-L-rhamnopyranoside
SMILES: O=C(O[C@@H]1O[C@H]([C@H](O)[C@H]([C@H]1O)O)C)C2=CC=C(O)C=C2
Compound: Fasciculol G
SMILES: O=C(OC)CNC(=O)CC(O)(CC(=O)O[C@@H]1C(C2[C@](C3=C([C@]4([C@]([C@@H]([C@@H](CC[C@@H](O)C(O)(C)C)C)CC4)(C)[C@H](C3)O)C)CC2)(C)C[C@H]1O)(C)C)C
Compound: Umbilicaxanthone B
SMILES: O=C1C2=C(OC3=C1C(=C(O)C=C3O)CC=C(C)C)C(OC)=CC(=C2O)CC=C(C)C
Compound: Cochliodone A
SMILES: O=C1C(C=2C(=O)[C@](OC(=O)C)(C(=O)C=3C2C[C@@]4(O[C@@H](CCC4)C)OC3)C)=C5C(=CO[C@@]6(C5)O[C@@H](CCC6)C)C([C@@]1(OC(=O)C)C)=O
Compound: Serantrypinone
SMILES: O=C1N2C(=NC3=C1C=CC=C3)[C@@]4(NC([C@H]2C[C@@]45C(=O)NC6=C5C=CC=C6)=O)CO
Compound: Binchamide B
SMILES: O=C1N(C(C(=O)NC(C(=O)NC(C(NC(C(NC1CC2=CC=CC=C2)=O)CC3=CC=CC=C3)=O)C(CC)C)CC(C)C)CC4=COC=C4)C
Compound: Pseudonocardian A
SMILES: O=C1C2=C(N(C(=O)C=C2C)C)[C@]3(O)C[C@@](N4C3=C1C(=CC4=O)C)(O)C
Compound: Icosalide A1
SMILES: O=C1OC(CC(=O)N[C@H](C(=O)N[C@H](C(=O)OC(CC(N[C@@H](C(N[C@H]1CO)=O)CC(C)C)=O)CCCCC)CC(C)C)CO)CCCCCCC
Compound: Ambiguine J isonitrile
SMILES: O1[C@@H]2C(C3=NC=4C=CC=C5C4[C@@]3(O)[C@@]6([C@]([C@H]12)([N+]#[C-])[C@](C=C)(CC[C@H]6C5(C)C)C)O)(C)C
Compound: (+)-(1R,5R,6R,7S,10R)-cadinan-3-ene-1,5-diol
SMILES: O[C@]12[C@@H]([C@@H](O)C(C)=CC1)[C@H](C(C)C)CC[C@H]2C
Compound: Penicidone D
SMILES: O=C1C(OC)=C(NC=C1C(=O)C2=C(OC)C=C(OC)C=C2C(=O)OC)/C=C/C
Compound: A32390A
SMILES: O=C(OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)COC(=O)C(N=C)=C(C)C)C(N=C)=C(C)C
Compound: Lactaroscrobiculide A
SMILES: O=C1OC[C@H]2C1=CC3=C(CC(C3)(C)C)[C@@H](C2)C
Compound: Aerucyclamide C
SMILES: S1C2=NC(=C1)C(=O)N[C@H](C=3O[C@H](C)[C@H](N3)C(=O)N[C@H](C4=NC(C(N[C@@H]2[C@H](CC)C)=O)=CO4)C(C)C)C
Compound: 3R*,4R*-1-hydroxy-3-isobutyl-4-[4-(3-methyl-2-butenyloxy)phenyl]pyrrolidine-2,5-dione
SMILES: O=C1N(O)C(=O)[C@H]([C@@H]1C2=CC=C(OCC=C(C)C)C=C2)CC(C)C
Compound: Terresterol
SMILES: O=C(O[C@@H](C(O)(C)C)C[C@@H](O)[C@H]([C@@H]1[C@@]2([C@@](C3=C([C@@]4([C@H](C([C@@H](O)CC4)(C)C)CC3)C)CC2)(C)CC1)C)COC(=O)C)C
Compound: CJ-13,014
SMILES: O=C1OC(CCCCCC[C@H]2O[C@]3(O[C@H](C)CC3)CC2)C=4C1=C(OC)C=C(OC)C4
Compound: VM48641
SMILES: O=C1O[C@@H]2C[C@@]3(O[C@H](/C(=C/C)/C)[C@@H](C)C[C@H]3O)O[C@@H](C2)CC=C(C[C@H](C=CC=C4[C@]5([C@H]1C=C([C@@H](OC)C5OC4OC)C)O)C)C
Compound: 15-deoxyoxalicine A
SMILES: O=C1OC(C2=CN=CC=C2)=CC3=C1C[C@@]4(C(=CC[C@H]5[C@]4(CC[C@H]([C@@]56COC(=O)CC6)C(=C)C)C)C)O3
Compound: Plicatilisin B
SMILES: O=C1[C@@H]([C@]2(CC[C@@]3(CC[C@@H](C(=C3C(=C2C1)O)CO)O)C)C)C(C)C
Compound: 12E-dechloroisorumbrin
SMILES: O=C1OC(/C(=C/C=C/C=C/C=C/C=2NC=CC2)/C)=CC(=C1C)OC
Compound: Scopararane B
SMILES: O=C1C2=C([C@@]34CCCC([C@]4([C@@]1(OC3)O)O)(C)C)[C@H](O)C[C@]([C@H]2O)(C=C)C
Compound: Thielavin G
SMILES: O=C(OC1=C(C(OC)=C(C(=O)O)C(=C1C)C)C)C2=C(OC)C=C(OC(=O)C3=C(O)C(=C(O)C=C3C)C)C(=C2C)C
Compound: Cochliodone G
SMILES: O=C1C(C2=C3C(C(=O)[C@@](C2=O)(OC(=O)C)C)=COC(=C3)CCCC(O)C)=C4C(=COC(=C4)CCCC(OC=O)C)C([C@]1(OC(=O)C)C)=O
Compound: Graphislactone A
SMILES: O=C1OC2=C(O)C(OC)=CC(=C2C=3C1=C(O)C=C(OC)C3)C
Compound: Cytochalasin Z4
SMILES: O=C1O[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C([C@H]([C@@H]3C=CC[C@H](C)CCC[C@H](C=C1)O)O)=C)CC4=C(O)C=CC=C4
Compound: Uvidin-A lactarinate
SMILES: O=C1C2[C@@]([C@@H](COC(=O)CCCCC(=O)CCCCCCCCCCCCC)[C@@]3([C@H]1O3)C)(CCCC2(C)C)C
Compound: (14R)-oxoglyantrypine
SMILES: O=C1N2C(=NC3=C1C=CC=C3)C(=O)NC([C@H]2CC=4C5=C(C=CC=C5)NC4)=O
Compound: 4'-oxomacrophorin D
SMILES: O=C1C=C(C(=O)[C@@H]2[C@]1(O2)C[C@H]3C(=C)CC[C@@H]4[C@@]3(CCCC4(C)C)C)COC(=O)CC(O)(CC(=O)O)C
Compound: Cladosporide C
SMILES: O=C[C@]1([C@H](O)CC[C@]2([C@H]1CCC3=C2CC[C@]4([C@]3(CC[C@@H]4[C@@H](CO)C)C)C)C)C
Compound: 3-aminobenzenesulfonate
SMILES: Nc1cccc(c1)S([O-])(=O)=O
Compound: 16beta,17-dihydroxyaphidicolan-18-oic acid
SMILES: O=C(O)[C@]1([C@H]2[C@@]([C@]34[C@H](C[C@H](C3)[C@@](CC4)(O)CO)CC2)(CCC1)C)C
Compound: EI-1507-2
SMILES: O=C1C2=C(C=CC34C2(O3)C(O)C=5C=CC=C(C5C4O)OC)CC(C1)(O)C
Compound: Obetaamycin
SMILES: O=C1O[C@@H]2[C@@H]([C@@H](O[C@]3(C2)O[C@H](CCC3)C[C@H](O)CC)C[C@@]4(OC(C)(C)C[C@H]4C=CCCCCC[C@]([C@@H]([C@H]([C@@H]([C@H]([C@@H]([C@@](C=C1)(O)C)O)C)O)O[C@@H]5O[C@H]([C@@H](N(C)C)CC5)C)O)(O)C)O)C
Compound: Myrotoxin B
SMILES: O=C1O[C@H]2[C@@]3([C@@]4(C(C=C(C)[C@H](C4)OC(=O)C)OC(C2)C35OC5)COC(=O)[C@@H]6[C@@]7(C(C(=CCC=C1)OCC7)O)O6)C
Compound: Mannopeptimycin epsilon
SMILES: O=C1N[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(N[C@@H](C(NC1[C@@H](O)[C@H]2NC(N)=NC2)=O)CC3=CC=C(O[C@H]4O[C@@H]([C@@H](O[C@H]5O[C@@H]([C@@H](OC(=O)CC(C)C)[C@@H]([C@@H]5O)O)CO)[C@@H]([C@@H]4O)O)CO)C=C3)=O)[C@H](C6=CC=CC=C6)C)CO)[C@@H](O)[C@H]7N(C(N)=NC7)[C@H]8O[C@@H]([C@@H](O)[C@@H]([C@@H]8O)O)CO
Compound: Rel-(2R,3R,4R)-2,3,4-trihydroxypentyl 2,4-dihydroxy-6-methylbenzoate
SMILES: O=C(OC[C@H](O)[C@@H](O)[C@@H](O)C)C1=C(O)C=C(O)C=C1C
Compound: Acrostalidic acid
SMILES: O=C1OC[C@@H]2C=C[C@@H]3[C@@]([C@H]2C1)(CCC[C@@]3(C(=O)O)C)C
Compound: Circumdatin B
SMILES: O=C1N2[C@H](C3=NC=4OC=CC(=CC4C(N3C5=C1C=CC=C5)=O)OC)CCC2
Compound: Cyclothiazomycin
SMILES: S1[C@@]2(NC(=O)/C(/NC(=O)[C@H]3N=C([C@@H](NC(=O)C4=C(N=C(C=5SC=C(N5)C6=N[C@H](C(NC(C7=NC(C8=NC(C9=N[C@H](C(N[C@@H](C1)C(=O)O)=O)CS9)=CS8)=CS7)=C)=O)CS6)C=C4)[C@@H](C)NC([C@H]%10N(C(\C(\NC(CNC([C@@H](NC2=O)[C@H](O)C)=O)=O)=C\C)=O)CCC%10)=O)CC(=O)N)SC3)=C/C)C