MonarchInit/C3PO huggingface dataset:
Compound: Tenvermectin D
SMILES: O=C1O[C@@H]2C[C@]3(O[C@@H](C2)CC=C([C@@H](O[C@@H]4O[C@H]([C@H](O[C@@H]5O[C@H]([C@H](O)[C@H](C5)OC)C)[C@H](C4)OC)C)[C@H](C=CC=C6[C@]7([C@H]1C=C([C@H](O)[C@H]7OC6)C)O)CC)C)O[C@@H]([C@@H](C)CC3)C
Compound: Amycofuran
SMILES: O1[C@@H](OC2=C3O[C@@H](/C=C/C=C/C)CC3=CC(=C2)O)[C@H](O)[C@H](O)[C@H]([C@@H]1C)O
Compound: Tubulysin I
SMILES: S1C(=NC(=C1)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C[C@@H](C(=O)O)C)[C@H](OC(=O)C)C[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H]3N(CCCC3)C)[C@H](CC)C)COC(=O)C)C(C)C
Compound: 5-Hydroxyphomopsinone A
SMILES: O=C1OC2=C([C@@H](O[C@H](C2)CCC)O)C(=C1)OC
Compound: Phomoxanthone J
SMILES: O=C1C2=C(OC3=C1C(=CC(=C3)CO)CO)C=C(O)C=C2O
Compound: Penicitol A
SMILES: O1C2=C3C(=C(C)C(=C2)O)[C@@H]([C@@H](C)O[C@@H]3[C@H]4[C@]1(OC)CCCC4)C
Compound: 11,14-dihydroxylneoechinulin E
SMILES: O=C1N(O)C(O)=C(C=C2C3=C(C=CC=C3)N=C2C(C=C)(C)C)N(C1=O)O
Compound: 7-hydroxy-5,8-bis(methylsulanyl)-4H-1,4-benzothiazin-3-one
SMILES: S1C2=C(SC)C(O)=CC(=C2NC(C1)=O)SC
Compound: Fusaperazine B
SMILES: S([C@H]1NC(=O)[C@@](OC)(CC2=CC=C(OCC=C(C)C)C=C2)NC1=O)C
Compound: Phomoxanthone K
SMILES: O=C1C2=C(OC3=C1C(=CC(=C3)C(=O)O)CO)C=C(O)C=C2O
Compound: Pyrenocine R
SMILES: O=C1OC(=C(C)C(=C1)OC)CO
Compound: Penixanacid A
SMILES: O=C1C2=C(OC3=C1C=CC(=C3O)C(=O)OC)C(C(=O)O)=CC(=C2)O
Compound: Xeromphalinone D
SMILES: O=C1C(=C2[C@H]3[C@H](CC(C3)(C)C)C[C@]2(C1)O)COC
Compound: (S)-4-(4-methylpent-3-en-1-yl)butyrolactone
SMILES: O=C1OC[C@H](C1)CCC=C(C)C
Compound: (3S,7R)-11-hydroxy-15-methoxy-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1(12),2(9),10,14(19),15,17-hexaen-13-one
SMILES: O=C1C2=C(OC3=C1C(O)=CC4=C3[C@H]5[C@H](OCC5)O4)C=CC=C2OC
Compound: Fusariumin B
SMILES: O=C(O[C@@H]([C@H](NCC(=O)O)C)CCCCCCCCCCC)CCCCCCC
Compound: (+/-)-7-Hyrdoxypyrenocine M
SMILES: O=C1OC(=C(CO)C(=C1)OC)C[C@@H](O)CCC
Compound: Isochaetominine C
SMILES: O=C1N(C=NC2=C1C=CC=C2)C3C(=O)N4[C@@H]5N(C([C@@H]4C(C)C)=O)C6=C([C@@]5(C3)O)C=CC=C6
Compound: Cardinalin 10
SMILES: O=C1C2=C(C(O)=C(C3=C(O)C=4C(=O)[C@H]5[C@@H](C[C@H](C)O[C@@H]5C)[C@H](C4C=C3OC)O)C(=C2)OC)C(=O)[C@H]6[C@@]1(O)C[C@H](C)O[C@@H]6C
Compound: 4,25-diethyl-4,25-demethyl-milbemycin beta3
SMILES: O=C1O[C@@H]2C[C@]3(O[C@@H](C2)CC=C(C[C@H](C=CC=C(C4=C1C=C(CC)C(=C4)O)C)C)C)O[C@@H]([C@@H](C)CC3)CC
Compound: Stagonolide H
SMILES: O=C1O[C@@H]([C@@H]2O[C@@H]2C=C[C@H](C=C1)O)C
Compound: 5-Deoxy-7-hyrdoxypyrenocine M
SMILES: O=C1OC(=C(C)C(=C1)OC)C[C@H](O)CCC
Compound: Okilactomycin
SMILES: O=C1C(=C)[C@@H]2O[C@@H]3[C@]1(C(=O)O[C@@]34[C@H](C=C(C(=O)O)[C@H](C4)C)CCC[C@H](C[C@H]2C)C)C
Compound: 6,8-Dihydroxy-3-methoxy-3,7-dimethylisochroman-1-one
SMILES: O=C1O[C@@](OC)(CC=2C1=C(O)C(=C(O)C2)C)C
Compound: 27-formaldehyde-milbemycin beta14
SMILES: O=C1O[C@@H]2C[C@]3(O[C@@H](C2)CC=C(C[C@H](C=CC=C(C4=C1C=C(C)C(=C4)O)C=O)C)C)O[C@@H]([C@@H](C)CC3)CC
Compound: Stachybogrisephenone A
SMILES: O=C(C1=C(O)C=C(OC)C=C1O)C2=C(O)C=C(OC)C=C2C
Compound: Epi-aculin A
SMILES: O=C1C(COC(C1)O)CC(=O)N2C(C(=O)O[C@@H]3[C@]4(C(C(CC)=CC4=O)=CC=C(C3)C)C)CCC2
Compound: Pyrenocine P
SMILES: O=C1OC2=C(CO[C@H](C2)CO)C(=C1)OC
Compound: Polymyxin Ile-E8
SMILES: O=C1NC(C(=O)NC(C(=O)NC(C(=O)NCCC(C(NC(C(NC(C(NC1C(CC)C)=O)CC(C)C)=O)CCN)=O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CCCCCC(CC)C)CCN)C(O)C)CCN)C(O)C)CCN)CCN
Compound: (2S,3S)-3-Hydroxy-1,4-diphenylbutan-2-yl-acetate
SMILES: O=C(O[C@H]([C@@H](O)CC1=CC=CC=C1)CC2=CC=CC=C2)C
Compound: Oxirapentyn L
SMILES: ClC(=C=C1[C@@H](O)[C@@H]2OC([C@H](O)C[C@]23[C@H]([C@@H]1O)O3)(C)C)C(=C)C
Compound: Dimethyl 2,3-dimethylosoate
SMILES: O=C(OC)C1=C(OC2=C(OC)C=C(O)C=C2C(=O)OC)C=C(C)C=C1OC
Compound: cis-Dihydro-8-hydroxyblennolide H
SMILES: O=C1C2=C(O[C@]3([C@H]1[C@H](O)C[C@H]([C@@H]3O)C)C(=O)OC)C=CC=C2O
Compound: Novoamauromine
SMILES: O=C1N2[C@H]3NC=4C=CC=CC4[C@@]3(C(C=C)(C)C)C[C@H]2C(=O)N5[C@H]1C[C@@]6(C=7C=CC=CC7N[C@H]56)C(C=C)(C)C
Compound: Phomasatin
SMILES: O=C1O[C@@H](C(=O)O)CC=2C1=C(O)C=CC2
Compound: Aeruginosin BH604
SMILES: O=C(N[C@H](CO)CCCN=C(N)N)[C@H]1N(C(=O)[C@@H](NC(=O)[C@@H](O)CC2=CC=C(O)C=C2)[C@H](CC)C)[C@H]3C[C@H](O)CC[C@H]3C1
Compound: PM100117
SMILES: O=C1O[C@@H]([C@H](C=C[C@@H](O)CCC[C@@H](O)C[C@@H](O)C[C@H](O)C[C@H]2O[C@](C([C@H]([C@@H](CC[C@@H](CCC[C@H](C[C@H](CC=C1)O)O)O)C)O)=O)(O)C[C@H](C2)O)C)[C@H]([C@@H](O)[C@@H]([C@@H](O)[C@H]([C@@H](O[C@@H]3O[C@H]([C@@H](O[C@@H]4O[C@H]([C@@H](OC(=O)[C@@H]([C@H](O[C@@H]5O[C@H]([C@@H](O)CC5)C)C6=CC=7C(=O)C=C(C)C(C7C=C6)=O)C)[C@H](C4)O)C)[C@@](C3)(O)C)C)CC)C)C)C
Compound: 2-carene-5,8-diol
SMILES: O[C@H]1[C@@H]2[C@](CO)(C)[C@@H]2C=C(C1)C
Compound: Delitschiapyrone A
SMILES: O=C1OC2=C([C@@H]3[C@@H]4C(=O)C5=C([C@@](C2)(O)[C@]4(O)O[C@H]3CC)C=C(OC)C(=C5O)CC)C(=C1)OC
Compound: 4-O-Methylphysodic acid
SMILES: O=C1OC2=C(C(=C(C(=O)O)C(=C2)O)CCCCC)OC3=C1C(=CC(=C3)OC)CC(=O)CCCCC
Compound: 8-Hydroxyblennolide H
SMILES: O=C1C2=C(O)C3=C(C=CC=C3O)O[C@]2(C(=O)OC)[C@@H](O)[C@@H](C1)C
Compound: Aeruginosin BH462B
SMILES: O=C(O)[C@H]1N(C(=O)[C@H](NC(=O)[C@@H](O)CC2=CC=C(O)C=C2)CC(C)C)[C@H]3C[C@H](O)CC[C@H]3C1
Compound: PM100118
SMILES: O=C1O[C@@H]([C@H](C=C[C@@H](O)CCC[C@@H](O)C[C@@H](O)C[C@H](O)C[C@H]2O[C@](C([C@H]([C@@H](CC[C@@H](CCC[C@H](C[C@H](CC=C1)O)O)O)C)O)=O)(O)C[C@H](C2)O)C)[C@H]([C@@H](O)[C@@H]([C@@H](O)[C@H]([C@@H](O[C@@H]3O[C@H]([C@@H](O[C@@H]4O[C@H]([C@@H](OC(=O)[C@@H]([C@H](O[C@@H]5O[C@H]([C@@H](O)CC5)C)C6=CC=7C(=O)C=C(C)C(C7C=C6)=O)C)CC4)C)[C@@](C3)(O)C)C)CC)C)C)C
Compound: 2-carene-8,10-diol
SMILES: OCC1=C[C@H]2[C@@](CO)(C)[C@H]2CC1
Compound: TMC-256C1
SMILES: O=C1C=C(OC)C2=C3OC(=CC(=C3C(=CC2=C1)O)O)C
Compound: 2-(furan-2-yl)-6-(2S,3S,4-trihydroxybutyl)pyrazine
SMILES: O1C(C2=NC(=CN=C2)C[C@H](O)[C@@H](O)CO)=CC=C1
Compound: (+/-)-Pyrenocine Q
SMILES: O=C1OC(=CC(=C1C)OC)[C@@H](O)CCCC
Compound: Aeruginosin BH462A
SMILES: O=C(O)[C@H]1N(C(=O)[C@H](NC(=O)[C@@H](O)CC2=CC=C(O)C=C2)[C@H](CC)C)[C@H]3C[C@H](O)CC[C@H]3C1
Compound: 2-carene-8-acetamide
SMILES: O=C(NC[C@]1([C@@H]2C=C(C)CC[C@H]12)C)C
Compound: Arthriniumnin A
SMILES: O=C1C(=CCC(=O)O[C@@]23C(=O)NC([C@@H]2[C@H](C)C(=C[C@@H]3C=CC[C@@H]1C)C)CC4=CC=CC=C4)C
Compound: 3beta-acetoxylanosta-7,9(11),24-trien-21-oic acid
SMILES: O=C(O)[C@@H]([C@@H]1[C@@]2([C@@](C=3C([C@@]4([C@H](C([C@@H](OC(=O)C)CC4)(C)C)CC3)C)=CC2)(C)CC1)C)CCC=C(C)C
Compound: Pseudoanguillosporin C
SMILES: O=C(O)C1=C(O)C2=C(C[C@@H](CCCCCCC)OC2)C(=C1O)C
Compound: Arenimycin B
SMILES: O=C1C(N[C@H]2O[C@H]([C@H](O[C@H]3O[C@H]([C@@H](N(C)C)CC3)C)[C@@H]([C@H]2OC)O)C)=CC(=O)C4=C1C=C5C(=O)[C@]6(O)C7=C(O)C(=C(C)C=C7CC[C@@]6(C(C5=C4O)=O)OC)C(=O)OC
Compound: Arthriniumnin B
SMILES: O=C1[C@@]2(O[C@H]2CC(=O)O[C@@]34C(=O)N[C@H]([C@@H]3[C@H](C)C(=C[C@@H]4C=CC[C@@H]1C)C)CC5=CC=CC=C5)C
Compound: Norverrucosidinol acetate
SMILES: O=C1OC(=C(C)C(=C1)OC)[C@@](O)([C@@H](OC(=O)C)/C(=C/C(=C/[C@@]2(O[C@H](C)[C@@]3([C@H]2O3)C)C)/C)/C)C
Compound: 8-hydroxy-1,7-epoxy-2-menthene
SMILES: O1[C@]([C@H]2CCC(=C[C@@H]12)C)(CO)C
Compound: Inonotin F
SMILES: O=C1[C@@](O)([C@H]2[C@H]([C@@H](CO)CC2)[C@@H]3[C@H](C1)C3(C)C)C
Compound: Pestalpolyol H
SMILES: O=C(/C(=C/[C@@H]([C@H](O)/C(=C/[C@@H]([C@H](O)/C(=C/[C@@H]([C@H](O)/C(=C/[C@H](CC)C)/C)C)/C)C)/C)C)/C)CC
Compound: Trichoacorenol B
SMILES: O[C@H]1C(=CC[C@@]2(C1)[C@H](C(C)C)CC[C@@H]2C)CO
Compound: 9a-Hydroxy-1,8(14),15-isopimaratrien-3,11-dione
SMILES: O=C1C=C[C@@]2([C@@]3(O)C(=O)C[C@@](C=C)(C)C=C3CC[C@H]2C1(C)C)C
Compound: Arthriniumnin C
SMILES: O=C1C(=CCC(=O)O[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3C=CC[C@@H]1CO)C)CC4=CC=CC=C4)C
Compound: Nordeoxyverrucosidin
SMILES: O=C1OC(=C(C)C(=C1)OC)/C(=C/C(=C/C(=C/[C@@]2(O[C@H](C)[C@@]3([C@H]2O3)C)C)/C)/C)/C
Compound: Ascosalipyrrolidinone A
SMILES: O=C1NC(OCCCC)(C)C=C1C(=O)[C@@H]2[C@@H](C(=C[C@H]3[C@@H]2[C@H](C[C@H](C3)C)C)C)/C(=C/C)/C
Compound: Chrysomycin B
SMILES: O=C1OC=2C=3C(C(OC)=CC2C4=C1C=C(C)C=C4OC)=C(O)C=CC3[C@@H]5O[C@@H]([C@H](O)[C@]([C@H]5O)(O)C)C
Compound: Trichoacorenol C
SMILES: O[C@]1(C=C[C@]2([C@H](C(C)C)CC[C@@H]2C)C[C@H]1O)CO
Compound: Speciosin T
SMILES: O=C1C=C(/C=C/C(O)(C)C)[C@@H](O)CC1
Compound: (1S,2R,4R,5S)-14-deoxy-aspergiketone
SMILES: O=C1[C@H](C=C(C)C)[C@@]2(O)C[C@@H]([C@@H]1C)C(=C)CC2
Compound: Arthriniumnin D
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(C(=CC1)C)O)C)O)=C)CC4=CC=CC=C4
Compound: Diffusible extracellular factor
SMILES: O=C1OCCC1C[C@H](C(=O)C)C
Compound: 12-hydroxy-8-ene-3-oxodrimenol
SMILES: O=C1C(C2[C@](C(=C(CO)CC2)CO)(C)CC1)(C)C
Compound: Cyclonerodiol B
SMILES: O[C@]1([C@H]([C@H]([C@](O)(CCC(O)C(O)(C)C)C)CC1)C)C
Compound: Pestalpolyol G
SMILES: O=C(/C(=C/[C@@H]([C@H](O)/C(=C/[C@@H]([C@H](O)/C(=C/[C@@H]([C@H](O)/C(=C/C)/C)C)/C)C)/C)C)/C)C(C(=O)CC)C
Compound: Varioxiranol I
SMILES: O=C1OC2=C(C(O)=CC=C2CC=C(C)C)[C@@H](C=3C1=C(O)C=C(C)C3OCC=C(C)C)O
Compound: Xylariol A
SMILES: O(C1=C2C(=CC=C1)[C@H](O)C[C@@H]([C@H]2O)O)C
Compound: Aureoverticillactam
SMILES: O=C1NC(CC=CC=C(C=CC=CC(CC(C(C=CC=CC=C1)O)O)O)C)C/C=C/CCC
Compound: Dikojiacid A
SMILES: O=C1C(O)=C(OC(=C1)COC(=O)C)[C@H](C=2OC(=CC(C2O)=O)CO)C
Compound: Panosialin wD
SMILES: S(=O)(=O)(OC1=CC(O)=CC(=C1)CCCCCCCCCC[C@H](CCC)C)O
Compound: N(4)-methylcytosine
SMILES: CNc1cc[nH]c(=O)n1
Compound: (2R,3R)-1,2,3,4-butanetetraol-1,4-diorsellinate
SMILES: O=C(OC[C@@H](O)[C@H](O)COC(=O)C1=C(O)C=C(O)C=C1C)C2=C(O)C=C(O)C=C2C
Compound: Varioxiranol J
SMILES: O=C1OC2=C(C(O)=CC=C2CC=C(C)C)[C@H](C=3C1=C(O)C=C(C)C3OCC=C(C)C)O
Compound: 22E, 24R-ergosta-7,22-diene-3beta,5alpha-diol-6beta-inoleate
SMILES: O=C(O[C@@H]1C=C2[C@H](CC[C@]3([C@H]2CC[C@@H]3[C@@H](/C=C/[C@@H](C(C)C)C)C)C)[C@@]4([C@]1(O)C[C@@H](O)CC4)C)CCCCCCC/C=C\C/C=C\CCCCC
Compound: No. 2106 A
SMILES: O=C1O[C@@H]2CO[C@@]3(C[C@H]1[C@@H]2O3)C
Compound: Dikojiacid B
SMILES: O=C1C(O)=C(OC(=C1)CO)C(C=2OC(=CC(C2O)=O)CO)C
Compound: Panosialin D
SMILES: S(=O)(=O)(OC1=CC(OS(=O)(=O)O)=CC(=C1)CCCCCCCCCC[C@H](CCC)C)O
Compound: (2R,3R)-14-diacetyl-1,2,3,4-butanetetraol-2,3-diorsellinate
SMILES: O=C(O[C@@H]([C@H](OC(=O)C1=C(O)C=C(O)C=C1C)COC(=O)C)COC(=O)C)C2=C(O)C=C(O)C=C2C
Compound: A-72363 A-2
SMILES: O=C(O)[C@@H]1[C@@H](O)[C@@H](O)[C@@H](NC(=O)C)NC1
Compound: Diaporthein A
SMILES: O1C2(O)[C@@]3(O)C(CCC[C@]3(C1)[C@@]4(O)[C@H](O)C[C@@](C=C4C2O)(C=C)C)(C)C
Compound: 3H-imidazole-4-carboxylic acid
SMILES: O=C(O)C=1NC=NC1
Compound: 6-Ethylmorphine
SMILES: CCO[C@H]1C=C[C@H]2[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45
Compound: Pestalpolyol F
SMILES: O=C([C@@H]([C@H](O)/C(=C/[C@@H]([C@H](O)/C(=C/[C@@H]([C@H](O)/C(=C/[C@@H]([C@H](O)/C(=C/C)/C)C)/C)C)/C)C)/C)C)CC
Compound: 2-methyl-3H-imidazole-4-carboxylic acid
SMILES: O=C(O)C=1NC(C)=NC1
Compound: Trinulactone B
SMILES: O=C1O[C@H](OC)C(=C1O)[C@H]2C(=CC[C@H]3[C@@]2(CC[C@@H]4[C@@]3(CC[C@@H]([C@]4(CO)C)O)C)C)C
Compound: (-)-homoseongomycin
SMILES: S(C1=C2C(=O)C3=C(O)C=CC=C3C(=C2C4=C1C=C(CC)C=C4O)O)C[C@H](NC(=O)C)C(=O)O
Compound: 3,7-dihydroxy-1,9-dimethyldibenzofuran
SMILES: O1C2=C(C(=CC(=C2)O)C)C3=C1C=C(O)C=C3C
Compound: Penicitrinol P
SMILES: O=C(OC)[C@@]1(OC2=C3C(=C(C)C(=C2)O)[C@H](C)[C@H](O[C@@H]3C1)C)O
Compound: Pelopurin A
SMILES: O=C1N2[C@H](C(=O)N3[C@]1(O)CCC3)CCC2
Compound: Malonomicin
SMILES: O=C1NC(CN)C(=C1C(=O)CC(NC(=O)C(N)CO)(C(=O)O)C(=O)O)O
Compound: Trinulactone C
SMILES: ClC1=CC(=C(NC)C=C1)C(=O)OC[C@@]2([C@@H](O)CC[C@]3([C@H]2CC[C@]4(C3C[C@H](OC)[C@H]([C@@H]4C5=C(O)C(=O)O[C@@H]5OC)C)C)C)C
Compound: 6-O-Acetyl hygrophorone B14
SMILES: O=C1C=C[C@@H]([C@@]1(O)C(OC(=O)C)CCCCCCCCCCCCCC)O
Compound: Pelopurin B
SMILES: O=C1N2[C@@](O)(C(=O)N3[C@]1(O)CCC3)CCC2
Compound: Mitorubrinol
SMILES: O=C1C=2C(C=C(/C=C/CO)OC2)=CC([C@]1(OC(=O)C3=C(O)C=C(O)C=C3C)C)=O
Compound: Aspergchromone B
SMILES: O=C1C2=C(OC(=C1)C[C@@H](O)C)C(O)=C(OC)C=C2C(=O)OC
Compound: 6,8-dimethoxy-3-(2'-oxo-propyl)-coumarin
SMILES: O=C1OC2=C(OC)C=C(OC)C=C2C=C1CC(=O)C
Compound: Trinulactone D
SMILES: ClC1=CC(=C(NC)C=C1)C(=O)O[C@@H]2[C@]([C@H]3[C@](C4[C@]([C@@H](C5=C(O)C(=O)O[C@@H]5OC)[C@H](C)[C@H](C4)OC)(C)CC3)(C)CC2)(CO)C
Compound: Bacillcoumacin D
SMILES: O=C1O[C@H]([C@@H](NC(=O)[C@@H](O)[C@H]2OC(=O)CC2)CC(C)C)CC=3C1=C(O)C=CC3
Compound: Brevibactin B
SMILES: O=C/1N[C@@H](C(=O)N\C1=C/C)C(C)C
Compound: Botrytinone
SMILES: O=C1C=C([C@H](O)C)[C@H]([C@@H]1O)O
Compound: Padanamide B
SMILES: O=C1NC(=O)CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@@H](NC(=O)[C@H]2N(NCCC2)C(=O)[C@H](NC(=O)COC)[C@H](O)C(C)C)CC3=CC=CC=C3)C
Compound: Cryptoporic acid S
SMILES: O=C(OCCCC)[C@H](OC[C@H]1C(=C)CCC2[C@@]1(CCC[C@]2(CO)C)C)[C@@H](C(=O)O)CC(=O)O
Compound: Trinulactone A
SMILES: O=C1O[C@H](OC)C(=C1O)[C@H]2C(=CC[C@H]3[C@@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C
Compound: SMTP-40
SMILES: O=C1N(CC2=C1C=C(O)C3=C2O[C@]([C@@H](O)C3)(CCC=C(CCC=C(C)C)C)C)CCCC(=O)O
Compound: Brevibactin C
SMILES: O=C/1N[C@@H](C(=O)N\C1=C\C(C)C)C
Compound: Acremine R
SMILES: O1C2=C(C=C(O)C(=C2)C)C[C@H](C1(C)C)O
Compound: Ribocyclophane C
SMILES: O1[C@@H](O[C@H]2C3=CC(O)=C([C@H](CCCC[C@@H](CC4=CC(=C([C@H](CCCC[C@@H]2C)CCCC)C(O)=C4)O)C)CCCC)C(=C3)O)[C@H](O)[C@H](O)[C@@H](C1)O
Compound: 3S,24S,25,26-tetrahydroxy-5alpha-lanost-8-en-11-one
SMILES: O=C1C2=C([C@@]3(C(=O)C[C@@H]([C@]3(C1)C)[C@@H](CC[C@H](O)C(O)(CO)C)C)C)CCC4[C@@]2(CC[C@@H](C4(C)C)O)C
Compound: 12-hydroxyalbrabetaitriol
SMILES: O[C@@]1(C(=C[C@H](O)[C@@H]2[C@@]1(CCCC2(C)C)C)CO)CO
Compound: Cystothiazole E
SMILES: S1C(=NC(=C1)/C=C/[C@H](OC)[C@H](C(=O)C)C)C=2N=C(C(C)C)SC2
Compound: Trichodenol B
SMILES: O=C(OCCC1=CC=C(O)C=C1)CCC(=O)[C@@H](O)C
Compound: Cispentacin
SMILES: O=C(O)[C@H]1[C@@H](N)CCC1
Compound: Ribocyclophane B
SMILES: O1[C@@H](O[C@H]2C3=CC(O)=C([C@H](CCCC[C@@H]([C@@H](O)C4=CC(=C([C@H](CCCC[C@@H]2C)CCCC)C(O)=C4)O)C)CCCC)C(=C3)O)[C@H](O)[C@H](O)[C@@H](C1)O
Compound: Ganodermanondiol 24,25-acetonide
SMILES: O=C1[C@]2(C=3C(=CC[C@]2(C)[C@H](C1)[C@@H](CCC4OC(C)(C)OC4(C)C)C)[C@@]5(C(C([C@@H](O)CC5)(C)C)CC3)C)C
Compound: Drim-8(12)-en-6beta,7alpha, 9alpha,11-tetraol
SMILES: O[C@@]1(C(=C)[C@H](O)[C@@H](O)[C@@H]2[C@@]1(CCCC2(C)C)C)CO
Compound: 6beta-hydroxybrefeldin C
SMILES: O=C1O[C@H](CCCC=C[C@H]2[C@H]([C@@H](C=C1)O)[C@@H](O)CC2)C
Compound: 3beta-(2-methoxyoxalyloxy)-24-methylene-5alpha-lanost-8-en-21-oic acid
SMILES: O=C(O[C@@H]1C([C@H]2[C@](C3=C([C@]4([C@]([C@@H]([C@H](C(=O)O)CCC(=C)C(C)C)CC4)(C)CC3)C)CC2)(C)CC1)(C)C)C(=O)OC
Compound: Xiamenmycin B
SMILES: O=C(O)C1=CC2=C(O[C@@](CCC=C(C)C)(C)[C@H](C2)O)C=C1
Compound: 8-methoxy-1-naphthalenol-6-O-alpha-D-ribofuranoside
SMILES: O1[C@H](OC=2C=C(OC)C3=C(O)C=CC=C3C2)[C@H](O)[C@@H]([C@H]1CO)O
Compound: (22S, 23R)-12alpha,14alpha,23alpha-trihydroxy-16,22-epoxy-ergosta-4,8-dien-3,11-dione
SMILES: O=C1C2=C([C@]3(O)C[C@H]4C([C@]3([C@H]1O)C)[C@@H]([C@H]([C@H](O)C(C(C)C)C)O4)C)CCC=5C2(CCC(C5)=O)C
Compound: Drim-68(12)-dien-9alpha,11-diol
SMILES: O[C@@]1(C(C=C[C@@H]2[C@@]1(CCCC2(C)C)C)=C)CO
Compound: Neoechinulin C
SMILES: O=C/1NC(C(=O)N\C1=C/C=2C3=C(C=C(CC=C(C)C)C=C3)NC2C(C=C)(C)C)=C
Compound: Paecilin C
SMILES: O=C1C2=C(OC(C1)(C(=O)OC)[C@H]3OC(=O)C[C@@H]3C)C(C4=C5OC(C(=O)OC)([C@@H]6OC(=O)C[C@@H]6C)CC(C5=C(O)C=C4)=O)=CC=C2O
Compound: Galacardin B
SMILES: ClC1=C2OC3=C(OC4OC(C(O)C(C4OC5OC(C(O)C(C5)N)C)O)CO)C=6OC7=CC=C(C(OC8OC(C(O)C(C8O)O)CO)C(NC(=O)C(NC)C9=CC=C(OC%10OC(C(OC%11OC(C(O)C(C%11O)O)CO)C(C%10O)O)C)C=C9)C(NC(C(NC(C(=C3)C6)C(=O)NC%12C(NC(C(C(=C1)C=C2)OC%13OC(C(O)C(C%13)N)C)C(=O)NC(C%14=C(C(O)=CC(=C%14)O)C=%15C=C%12C=CC%15O)C(=O)O)=O)=O)C%16=CC(Cl)=C(O)C=C%16)=O)C=C7
Compound: (-) palitantin
SMILES: O=C1[C@@H](O)[C@@H](O)C[C@H]([C@H]1CO)/C=C/C=C/CCC
Compound: Tolypocladone A
SMILES: O=C1OC(=CC(=C1)OC)/C=C/C(O)C(O)C
Compound: 2-(furan-2-yl)-5-(2S,3S,4-trihydroxybutyl)pyrazine
SMILES: O1C(C2=NC=C(C[C@H](O)[C@@H](O)CO)N=C2)=CC=C1
Compound: Merocyclophane D
SMILES: OC1=C2C(O)=CC(=C1)[C@@H](CCCCC[C@@H](C3=C(C=C([C@@H](CCCCC[C@@H]2CCCCO)C)C=C3O)O)CCCCO)C
Compound: Lajollamycin A
SMILES: O=[N+]([O-])\C(=C(\C=C\C=C/C=C(\[C@@H](O)C(C(=O)NC/C=C/C=C/[C@H](O)[C@@H](C[C@H](OC)[C@@]1(O)[C@]2(N(C)C([C@@H]1C)=O)C(=O)O[C@@H]2C)C)(C)C)/C)/C)\C
Compound: Methylobamine
SMILES: O=C(O)C(N)=C1O[C@H]2O[C@@H]([C@H](O)[C@@H]([C@H]2[N+](=C1C)C)O)CO
Compound: 5-(3',3'-dimethylallyloxy)-2-methoxycarbonyl-3-methoxy-4-methylbenzoic acid
SMILES: O=C(OC)C1=C(OC)C(=C(OCC=C(C)C)C=C1C(=O)O)C
Compound: Tolypocladone B
SMILES: O=C1OC(=CC(=C1)OC)/C=C/C=O
Compound: (S)-4-isobutyl-3-oxo-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carbaldehyde
SMILES: O=C1OCC2=CC=C(N2[C@H]1CC(C)C)C=O
Compound: Ilanenoid
SMILES: O(C1=C(O)C=CC(=C1)C[C@@H](OC)CC2=C(OC)C=C(OC)C=C2OC)C
Compound: Xiamenmycin C
SMILES: O=C(N)C1=CC2=C(O[C@@](CCC=C(C)C)(C)[C@H](C2)O)C=C1
Compound: Emindole PB
SMILES: O1[C@@H]2[C@]([C@H]3C(C([C@H](CC=4C5=C(C=CC=C5)N(C4)C(C=C)(C)C)CC3)(C)C)=CC2)(CC[C@H]1C(O)(C)C)C
Compound: Ganoderic acid XL3
SMILES: O=C1C2=C([C@]3(CC[C@@H](C([C@@H]3C1)(C)C)O)C)[C@H](O)C[C@]4([C@]2(CCC4[C@@H](CC/C=C(/C(=O)O)\C)C)C)C
Compound: (S)-4-isopropyl-3-oxo-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carbaldehyde
SMILES: O=C1OCC2=CC=C(N2[C@H]1C(C)C)C=O
Compound: Ochangoside
SMILES: O=C1N(C2=NC=3C(=CC(C)=C(C3)C)N=C2C(N1)=O)[C@@H]4O[C@H]([C@H](O)[C@H]([C@H]4O)O)C
Compound: Ribocyclophane E
SMILES: ClC(CCCC[C@@H]([C@@H](O[C@@H]1OC[C@@H](O)[C@H]([C@H]1O)O)C2=CC(O)=C([C@H](CCCC[C@@H]([C@@H](OC(=O)C)C3=CC(O)=CC(=C3)O)C)CCCC)C(=C2)O)C)CCCC
Compound: Neopestalotin D
SMILES: O=C/1N[C@@H]([C@H](O)C)C(\C1=C(\O)/[C@@]2([C@@H](C(=C[C@H]3[C@H]2CC[C@@H](C3)COC(=O)C)C)/C=C/C)C)=O
Compound: SCH 60061
SMILES: OC(CCC=C(C)C)(CCCC(O)(CCCC(O)(CCCC(O)(CCCC(O)(CCCC(O)(CCC/C(=C/CC/C(=C/CO)/C)/C)C)C)C)C)C)C
Compound: (4S)-4-(2-methylbutyl)-3-oxo-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carbaldehyde
SMILES: O=C1OCC2=CC=C(N2[C@H]1[C@H](CC)C)C=O
Compound: Cochlearoid M
SMILES: O=C1OC2=C(C=C(O)C(=C2)C/C=C(\C(=O)O)/CC/C=C(/CCC=C(C)C)\C)C3=C1C(O)=CC=C3O
Compound: Ganoderic acid XL4
SMILES: O=C1C2=C(C(=O)C[C@@H]3[C@@]2(CC[C@@H](C3(C)C)O)C)[C@@]4(C(=O)C=C([C@]4(C1)C)[C@@H](CC(=O)CC(C(=O)O)C)C)C
Compound: Kirkamide
SMILES: O=C(N[C@H]1[C@@H](O)C=C(CO)[C@H]([C@@H]1O)O)C
Compound: 5aTHQ-10i
SMILES: N1C2=C(C(=CC=C2)CCCCCCCC(C)C)CCC1
Compound: Cochlearoid L
SMILES: O=C1OC2=C(C=C(O)C=C2C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)C3=C1C(O)=CC=C3O
Compound: Cavoxin
SMILES: O=C(O)C1=C(O)C(=C(OC)C=C1CO)C(=O)/C=C/C=C/CCC
Compound: Ganoderic acid XL5
SMILES: O=C1C2=C([C@@]3([C@@H](O)C[C@@H]([C@]3(C1)C)[C@@H](CC(=O)[C@@H](O)C(C(=O)OC)C)C)C)[C@@H](O)C[C@@H]4[C@@]2(CC[C@@H](C4(C)C)O)C
Compound: (S)-4-benzyl-3-oxo-3,4-dihydro-1H-pyrrolo[2,1-c] [1,4]oxazine-6-carbaldehyde
SMILES: O=C1OCC2=CC=C(N2[C@H]1CC3=CC=CC=C3)C=O
Compound: Ribocyclophane D
SMILES: O=C(O[C@H]1C2=CC(O)=C([C@H](CCCC[C@@H]([C@@H](O[C@@H]3OC[C@@H](O)[C@H]([C@H]3O)O)C4=CC(=C([C@H](CCCC[C@@H]1C)CCCC)C(O)=C4)O)C)CCCC)C(=C2)O)C
Compound: Streptothricin C acid
SMILES: O=C(OCC1OC(NC2=N[C@H](C(=O)O)[C@H](N2)[C@H](O)CN)C(NC(=O)C[C@@H](N)CCCNC(=O)C[C@@H](N)CCCNC(=O)C[C@@H](N)CCCNC(=O)C[C@@H](N)CCCN)C(C1O)O)N
Compound: Aranochlor A
SMILES: ClC=1C(=O)[C@@H]2O[C@@H]2[C@@]3(C1)O[C@@H](O)C(C3)NC(=O)/C=C/C(=C/C(CCCCCC)C)/C
Compound: 26-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]3[C@H](O)C(OO[C@@H]6C=C(C)C)(C)C)CCC2
Compound: 3-hydroxy-2-(2-hydroxy-6-methoxy-4-methylbenzoyl)-5-methoxy-benzoic acid methyl ester
SMILES: O=C(OC)C1=C(C(O)=CC(=C1)OC)C(=O)C2=C(OC)C=C(C)C=C2O
Compound: (E)-3-methyl-5-(2,6,6-trimethyl-3-oxocyclohex-1-enyl)pent-2-enoic acid
SMILES: O=C1C(=C(C(C)(C)CC1)CC/C(=C/C(=O)O)/C)C
Compound: (-)-(R)-8-(3S,9S,14aR)-9-benzyl-6,6-dimethyl-1,4,7,10-tetraoxotetradecahydropyrrolo[1,2-a][1,4,7,10]tetraazacyclododecin-3-yl-3-oxooctan-2-yl acetate
SMILES: O=C1N[C@H](C(=O)N2[C@@H](C(=O)N[C@H](C(NC1(C)C)=O)CCCCCC(=O)[C@H](OC(=O)C)C)CCC2)CC3=CC=CC=C3
Compound: Merocyclophane C
SMILES: OC1=C2C(O)=CC(=C1)[C@@H](CCCCC[C@@H](C3=C(C=C([C@@H](CCCCC[C@@H]2CCCCO)C)C=C3O)O)CCCC)C
Compound: 6-Bromopenitrem E
SMILES: BrC1=C2C3=C4C=5[C@@H](OC([C@@H]6[C@]3(O)[C@H](C6)C(C2)=C)(C)C)[C@@H]7CC[C@@]8([C@@]([C@]7(C5NC4=C1)C)(CC[C@H]9[C@@]8%10O[C@@H]%10[C@@H](O)[C@H](O9)C(=C)C)C)O
Compound: N(5)-methyl-L-arginine
SMILES: CN(CCC[C@H](N)C(O)=O)C(N)=N
Compound: Cornifronin A
SMILES: O=C(N)/C=C/C(=C/[C@@H](CCCC)C)/C
Compound: (E)-13-methyl-5-(2,6,6-trimethyl-3-oxocyclohex-1-enyl)pent-2-enoic acid
SMILES: O=C1C=C([C@@H](CC/C(=C/C(=O)O)/C)C(C1)(C)C)C
Compound: 2-[(3S,4aR,7S,8S,8aR)-3,4'-dihydroxy-4,4,7,8a-tetramethyl-6'-oxospiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,8-dihydrouro[2,3-e]isoindole]-7'-yl]-4-methylpentanoic acid
SMILES: O=C1N(C(C(=O)O)CC(C)C)CC2=C1C=C(O)C3=C2O[C@@]4([C@]5([C@@H](C([C@@H](O)CC5)(C)C)CC[C@@H]4C)C)C3
Compound: Ferrocin A
SMILES: [Fe+3].O=C1N[C@H](C(=O)NC(CN[C@H](C(=O)NCC(=O)NC(C(=O)NCC(OC[C@@H](C(NC(C(NCC(N[C@@H]1C(C)C)=O)=O)CCCN([O-])C(=O)C)=O)NC(=O)C/C=C\CCCCCC)=O)CCCN([O-])C(=O)C)C)CCCN([O-])C(=O)C)CO
Compound: Ribocyclophane A
SMILES: O1[C@@H](O[C@H]2C3=CC(O)=C([C@H](CCCC[C@@H]([C@@H](O[C@@H]4OC[C@@H](O)[C@H]([C@H]4O)O)C5=CC(=C([C@H](CCCC[C@@H]2C)CCCC)C(O)=C5)O)C)CCCC)C(=C3)O)[C@H](O)[C@H](O)[C@@H](C1)O
Compound: Diorcinol G
SMILES: O(C1=C(C(O)=C(CC=C(C)C)C(=C1)C)CC=C(C)C)C2=CC(O)=CC(=C2)C
Compound: Cornifronin B
SMILES: O=C(N)/C(=C/C(=C/[C@@H](CC(O)CC)C)/C)/C
Compound: 9-O-methyl-ansacarbamitocin A1
SMILES: ClC1=C(O)C=C2CC(=CC=C[C@@H](OC)[C@]3(OC)NC(O[C@H]([C@H](C=C(C(CC(N(C1=C2)[C@@H]4O[C@@H]([C@@H](OC(=O)N)[C@@H]([C@H]4O)OC)COC(=O)C)=O)OC(=O)NC)C)C)C3)=O)C
Compound: 2-[(3S,4aR,7S,8S,8aR)-3,4'-dihydroxy-4,4,7,8a-tetramethyl-6'-oxospiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,8-dihydrouro[2,3-e]isoindole]-7'-yl]-3-phenylpropanoic acid
SMILES: O=C1N(C(C(=O)O)CC2=CC=CC=C2)CC3=C1C=C(O)C4=C3O[C@@]5([C@]6([C@@H](C([C@@H](O)CC6)(C)C)CC[C@@H]5C)C)C4
Compound: Inonotusol D
SMILES: OC([C@H]1[C@@H](O)[C@@H]([C@H]2[C@@]3([C@@](C=4C([C@]5([C@@H](O)C[C@H](O)[C@]([C@@H]5CC4)(CO)C)C)=CC3)(C)CC2)C)CC1)(C)C
Compound: Migracin A
SMILES: O=C(C1=C(O)C(=C(O)C(=C1)[C@@H](OCC)C(C)C)C=O)[C@H]([C@@H]2O[C@@H](O)[C@]3(O[C@H]3CC)[C@@H](C2)O)CCC
Compound: Neoechinulin E
SMILES: O=C1NC(O)=C(C=C2C3=C(C=CC=C3)N=C2C(C=C)(C)C)NC1=O
Compound: (3R,4S)-4,8-dihydroxy-5-(hydroxymethyl)-3-methylisochroman-1-one
SMILES: O=C1O[C@@H]([C@H](O)C=2C1=C(O)C=CC2CO)C
Compound: Methyl-4-((1-hydroxy-3-methylpentan-2-yl)amino)-3-methyl-4-oxobutanoate
SMILES: O=C(NC(C(CC)C)CO)C(CC(=O)OC)C
Compound: Metagenebiindole A
SMILES: O=C1C2=C(C=CC=C2)N[C@]1(C=3C4=C(C=CC=C4)NC3)C
Compound: 1-methyl-naphthalene-2,6-dicarboxylic acid
SMILES: O=C(O)C1=C(C=2C(=CC(C(=O)O)=CC2)C=C1)C
Compound: Bequinostatin D
SMILES: O=C1C2=C(O)C=3C(=C4C(O)=CC(CCCCC)=CC4=CC3)C=C2C(=O)C=5C1=C(O)C=C(O)C5
Compound: Xiamenmycin D
SMILES: O=C(N[C@H](C(=O)OC)[C@H](O)C)C1=CC2=C(O[C@@](CCC=C(C)C)(C)[C@H](C2)O)C=C1
Compound: Felinone A
SMILES: O=C1C2=C(C[C@H]([C@@]1(O)C)O)C[C@@H](C)OC2
Compound: (3R,4R)-4,8-dihydroxy-5-(hydroxymethyl)-3-methylisochroman-1-one
SMILES: O=C1O[C@@H]([C@@H](O)C=2C1=C(O)C=CC2CO)C
Compound: 6-geranylchrysin
SMILES: CC(C)=CCC\C(C)=C\Cc1c(O)cc2oc(cc(=O)c2c1O)-c1ccccc1
Compound: Rubetauphelin A
SMILES: ClC1=C(OC2=C(OC)C(OC3=C(Cl)C=C(O)C=C3Cl)=CC(=C2)OC)C(Cl)=CC(=C1)O
Compound: 4-((1-acetoxy-3-methylpentan-2-yl)amino)-3-methyl-4-oxobutanoic acid
SMILES: O=C(NC(C(CC)C)COC(=O)C)C(CC(=O)O)C
Compound: Thermolide E
SMILES: O=C1O[C@H]([C@@H](C[C@H]([C@@H](O)C[C@@H](CC(N[C@@H]1C(C)C)=O)O)C)C)[C@H](C[C@@H]([C@H](O)[C@@H]([C@H](O)C[C@@H](O)C)C)C)C
Compound: Neoechinulin D
SMILES: O=C/1N[C@H](C(=O)N\C1=C/C=2C3=C(C=C(CC=C(C)C)C=C3)NC2C(C=C)(C)C)C
Compound: Aspilactonol E/F
SMILES: O=C1O[C@@H]([C@@H](O)C)C=C1CC(O)C
Compound: Erinaceolactone H
SMILES: O=C1OCC2=C1C=C(OC)C3=C2O[C@H](C(=O)OC)CC3
Compound: 2-Ethanolamine-3H-phenoxazin-3-one
SMILES: O=C1C(NCCO)=CC2=NC=3C=CC=CC3OC2=C1
Compound: Pestalotilide A
SMILES: O=C1OCC2=C(C(O)=CC(=C2)C)OC=3C1=C(OC)C(=CC3)C[C@H](O)C(O)(C)C
Compound: Valdiazen
SMILES: ON=[N+]([O-])[C@H](C(C)C)CO
Compound: Antillatoxin B
SMILES: O=C1N([C@H](C(=O)NCC(=O)O[C@H]([C@@H](C(CC(N[C@H]1C)=O)=C)C)/C(=C/C(=C/C(C)(C)C)/C)/C)CCC2=CC=CC=C2)C
Compound: Beauverolide-La
SMILES: O=C1OC(C(CCCCCC)C)CC(=O)NC(CC2=CC=CC=C2)C(NC(C(NC1C(CC)C)=O)C)=O
Compound: Erinaceolactone G
SMILES: O=C1OCC2=C1C=C(OC)C(=C2O)C[C@H](CC(=O)OC)C
Compound: (S)-2-(2'-hydroxyethyl)-4-methyl-_-butyrolactone
SMILES: O=C1O[C@@H](C)C=C1CCO
Compound: L-alanyl-2-(1,1-dimethylallyl)-L-tryptophan anhydride
SMILES: O=C1NC(C(=O)NC1CC=2C3=C(C=CC=C3)NC2C(C=C)(C)C)C
Compound: Curdepsidone A
SMILES: O=C1OC2=C(C=C(O)C=C2C)OC3=C1C(O)=C(C=O)C(=C3C)OC
Compound: Helicobasidin
SMILES: O=C1C(O)=C(C(=O)C(=C1[C@@]2(C(CCC2)(C)C)C)O)C
Compound: 10,11-epoxycurvularin
SMILES: O=C1C2=C(O)C=C(O)C=C2CC(=O)O[C@@H](C)CCC[C@@H]3[C@H]1O3
Compound: Streptol glucoside
SMILES: O1[C@@H](O[C@@H]2C(=C[C@H](O)[C@@H]([C@H]2O)O)CO)[C@H](O)[C@@H](O)[C@@H]([C@H]1CO)O
Compound: Chaetolactone
SMILES: O=C1C(=C([C@@]2(OC(=O)C[C@@H]2O)CCC)C[C@@H]1C)C
Compound: beta-aflatrem
SMILES: O=C1C=C2[C@@]3(O)[C@@]([C@]4(C=5NC=6C=CC(=CC6C5C[C@@H]4CC3)C(C=C)(C)C)C)(CC[C@@]27O[C@@H]1C(O7)(C)C)C
Compound: 4,6-dihydroxy-1H-isoindole-1,3(2H)-dione
SMILES: O=C1NC(=O)C=2C1=C(O)C=C(O)C2
Compound: Oxalamido-L-phenylalanine methyl ester
SMILES: O=C(N[C@H](C(=O)OC)CC1=CC=CC=C1)C(=O)N
Compound: Caruilignan D
SMILES: O=C1OC[C@H]2[C@@H]1CO[C@H]2C3=CC(OC)=C(O)C(=C3)OC
Compound: Calphostin D
SMILES: O=C1C2=C(O)C(OC)=C(CC(O)C)C=3C2=C(C4=C5C(=C(O)C(=C(C35)CC(O)C)OC)C(=O)C=C4OC)C(=C1)OC
Compound: (E)-6-((2-amino-4,5-dimethylphenyl)imino)dihydropyrimidine-2,4,5(3H)-trione
SMILES: O=C1NC(=O)C(=O)C(N1)=NC2=C(N)C=C(C)C(=C2)C
Compound: (10R)-nocapyrone L
SMILES: O=C1C(=C(OC(=C1C)CCCC[C@@H](CC)C)OC)C
Compound: Aspersteroid A
SMILES: O=C1C2=C3[C@@]([C@@H]([C@@H](/C=C/C(C(C(=O)O)C)C)C)CC3)(CC[C@@H]2[C@]4(CC=CC(C4=C1)=O)C)C
Compound: Capreomycin IA
SMILES: O=C/1N[C@H](C(=O)NC[C@H](N)C(=O)N[C@H](C(N[C@H](C(N\C1=C/NC(=O)N)=O)CNC(=O)C[C@H](N)CCCN)=O)CO)[C@@H]2NC(=NCC2)N
Compound: Pygmeine
SMILES: O=C(O)[C@@H](N)CCC(=O)NNC1=C(O)C=CC=C1
Compound: Antcamphin J
SMILES: O=C1C2=C(C(=O)C[C@@H]3[C@@]2(CCC([C@H]3C)=O)C)[C@@H]4CC[C@@H]([C@]4(C1)C)[C@@H](CCC(=C)[C@H](C(=O)O)C)C
Compound: Oxalamido-L-leucine methyl ester
SMILES: O=C(N[C@H](C(=O)OC)CC(C)C)C(=O)N
Compound: Saponaceolide T
SMILES: O=C1OCCC1=C[C@H](O)[C@H]2C(=C)CC[C@H](C2(C)C)C/C=C/3\CO[C@]4(O[C@]5(O)C(C)(C)O[C@]4(CC5)C)CC3
Compound: 20-Nor-3alpha-acetoxy-12-hydroxy-abieta-5,7,9,11,13-pentaene
SMILES: O=C(O[C@H]1C(C2=C(C=3C(=CC(C(C)C)=C(C3)O)C=C2)CC1)(C)C)C
Compound: Capreomycin IIA
SMILES: O=C/1N[C@H](C(=O)NC[C@H](N)C(=O)N[C@H](C(N[C@H](C(N\C1=C/NC(=O)N)=O)CN)=O)CO)[C@@H]2NC(=NCC2)N
Compound: (2E,6E)-3,7,11-trimethyldodeca-2,6-dienedioic acid
SMILES: O=C(O)/C=C(/CC/C=C(/CCC[C@@H](C(=O)O)C)\C)\C
Compound: (R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-5-hydroxybenzofuran
SMILES: O1C2=C(C=C(O)C=C2)C[C@@H]1C(O)(C)C
Compound: Echinocidin B
SMILES: O[C@]12C(=C[C@@H]3CC(C[C@@H]3[C@]1(C[C@H]2O)C)(C)C)CO
Compound: Saponaceol D
SMILES: O=C(OC)C(NC(=O)CC(O)(CC(=O)O[C@@H]1C([C@H]2[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]1OC(=O)C)(C)C)C)C(OC(=O)C)C5=CC=CC=C5
Compound: Rezishanone B
SMILES: O=C1/C(=C(/O)\C=C\C=C\C)/[C@H]2[C@@](O)(C)C([C@@]1(C(OCCCC)C2)C)=O
Compound: (R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-5-methoxybenzofuran
SMILES: O1C2=C(C=C(OC)C=C2)C[C@@H]1C(O)(C)C
Compound: Capreomycin IIB
SMILES: O=C/1N[C@H](C(=O)NC[C@H](N)C(=O)N[C@H](C(N[C@H](C(N\C1=C/NC(=O)N)=O)CN)=O)C)[C@@H]2NC(=NCC2)N
Compound: (2E,6E)-10-methoxy-3,7-dimethyl-10-oxodeca-2,6-dienoic acid
SMILES: O=C(O)/C=C(/CC/C=C(/CCC(=O)OC)\C)\C
Compound: 5-chloroacremine H
SMILES: Cl[C@H]1[C@@](O)(C(=O)C=C([C@H]1O)C2OC2C(O)(C)C)C
Compound: Asperterzine
SMILES: S[C@]12N(C(=O)[C@@]3(S)CC4=C(N3C1=O)C=CC=C4)C=5C=CC=CC5C2
Compound: Griseusin A
SMILES: O=C1C2=C(O)C=CC=C2C(=O)C3=C1[C@@]4(O[C@@H](C[C@H]([C@H]4O)OC(=O)C)C)O[C@H]5[C@@H]3OC(=O)C5
Compound: Agistatin D
SMILES: O=C1C=COC=2[C@@]1(O)[C@H](O)[C@H](CC)CC2
Compound: Similanpyrone A
SMILES: O=C1OC(=CC=2C1=C(O)C3=C(OC(=O)C=C3)C2)C
Compound: Avertoxin A
SMILES: O=C1OC(=C(C)C(=C1)OCC=C(C)C)/C=C/C=C/C=C/[C@H]2O[C@H]3O[C@H](CC)[C@@]([C@]3([C@H]2O)C)(O)C
Compound: Nocapyrone S
SMILES: O=C1OC(=CC=C1CC(C)C)[C@@](O)([C@@H](O)C)C
Compound: Stachybisbin A
SMILES: O=C1OCC=2C1=C3OC=C4C3=C(O[C@](CCC=C(C)C)(C)[C@@H]4CC[C@@H](O)C)C2
Compound: Saroclazine C
SMILES: O=C1N(C(=O)[C@H](CC2=CC=C(OCC=C(C)C)C=C2)N(C1=O)C)C
Compound: 1,2,3,4-tetrahydro-2,3-dimethyl-1,4-dioxopyrazino[1,2-a]indole
SMILES: O=C1N([C@H](C(=O)N2C1=CC=3C=CC=CC23)C)C
Compound: 5-hydroxyanthrotainin
SMILES: O=C1C2=C(O)C3=C(O)C=C(OC)C=C3C=C2[C@H](O)[C@@]4([C@@]1(O)C(O)=C(C(=O)C4)C(=O)N)O
Compound: Agariblazeispirol B
SMILES: O1[C@]23C=CC=4C(=C(OC)C=CC4[C@]2(CC[C@@H]3[C@@H]([C@]15OC(C)(C)[C@H]([C@H]5O)C)C)C)C
Compound: 7beta,8-epoxy-3beta-hydroxy-4,4,14alpha-trimethyl-12,15,20-trioxo-5alpha-pregn-9(11)-ene
SMILES: O=C1C=C2[C@@]3(C(C([C@@H](O)CC3)(C)C)C[C@H]4C2(O4)[C@]5([C@]1([C@@H](C(=O)C)CC5=O)C)C)C
Compound: 4-O-demethylisobutyrolactone II
SMILES: O=C1O[C@](O)(CC2=CC=C(O)C=C2)C(=C1O)C3=CC=C(O)C=C3
Compound: Ophiobola-1,7,18-triene
SMILES: C1(=CC[C@@H]2[C@@](CC[C@@H]2[C@H](CCC=C(C)C)C)(C)C=C3[C@@H]1CC[C@@H]3C)C
Compound: Saroclazine A
SMILES: S([C@]1(N(C(=O)[C@@H](SC)NC1=O)C)CC2=CC=C(OCC=C(C)C)C=C2)C
Compound: 1,2,3,4-tetrahydro-2-methyl-3-methylene-1,4-dioxopyrazino[1,2-a]indole
SMILES: O=C1N2C3=C(C=CC=C3)C=C2C(=O)N(C1=C)C
Compound: 8-O-desmethylanthrotainin
SMILES: O=C1C2=C(O)C3=C(O)C=C(O)C=C3C=C2C[C@@]4([C@@]1(O)C(O)=C(C(=O)C4)C(=O)N)O
Compound: Ergost-7,22-dien-3beta,4alpha-diol
SMILES: O[C@@H]1[C@@H](O)CC[C@]2(C1CC=C3C2CC[C@]4(C3CCC4[C@@H](/C=C/[C@@H](C(C)C)C)C)C)C
Compound: Saroclazine B
SMILES: S([C@]1(NC(=O)[C@@H](SC)N(C1=O)C)CC2=CC=C(OCC=C(C)C)C=C2)C
Compound: N-methyl-1H-indole-2-carboxamide
SMILES: O=C(NC)C=1NC=2C=CC=CC2C1
Compound: CJ-14,877
SMILES: O=C(OC)C1=NC=C([C@H](O)[C@@H](O)C)C=C1
Compound: Cinatrin D
SMILES: O=C1O[C@@H](C(=O)O)[C@@]([C@H]1CCCCCCCCCCCC)(O)C(=O)O
Compound: Mirubactin
SMILES: O=C(ON(C=O)CCC[C@@H](NC(=O)[C@H](NC(=O)C1=C(O)C(O)=CC=C1)CCCN=C(N)N)C(=O)O)C2=C(O)C(O)=CC=C2
Compound: Varilactone A
SMILES: O=C1OC2[C@@H](C)C([C@@]1(C2(/C=C/C=C/C=C/[C@H]3C(=C[C@]4([C@@H]3[C@](O)([C@H](C)O4)C)C)C)C)C)=O
Compound: Reduced gliotoxin
SMILES: SC1(N(C(=O)C2(S)CC=3C(N2C1=O)C(O)C=CC3)C)CO
Compound: 4-(2′R,4′-dihydroxybutoxy)benzoic acid
SMILES: O=C(O)C1=CC=C(OC[C@H](O)CCO)C=C1
Compound: Arthrinone
SMILES: O=C1C2=C(O)C=C(OC)C=C2[C@@H](O)[C@@]34[C@@]1(O3)[C@@H](OC4)O
Compound: Blasticidin A
SMILES: O=C/1N(CC(\C1=C(\O)/C(=C/[C@H](C[C@H](CC(O)C(O)C(C(O)CC(O)C(C(O)C(C(O)CC(O)CC(O)CC(O)CC(O)C(O)C(O)C(O)C(O)C[C@H]2O[C@](O)([C@@H](O)[C@H]([C@@H]2O)O)C[C@H](O)CCCCCCCCCC)C)C)C)C)C)/C)=O)C
Compound: Alterochromide A
SMILES: O=C1O[C@@H]([C@H](NC(=O)/C=C/C=C/C=C/C=C/C2=CC=C(O)C=C2)C(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(N[C@H]1[C@@H](CC)C)=O)CC(=O)N)=O)CC(=O)N)C(C)C)C
Compound: Rogerson A
SMILES: O=C(OC)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](OC)[C@H]([C@@H]1O)O)CO)C(=C[C@H](C[C@H](CC)C)C)C)C)C)C)C)C)C
Compound: Varilactone B
SMILES: O=C1OC2[C@@H](C)C([C@@]1(C2(/C=C/C=C/C=C/[C@@H]3C(=C[C@@]4([C@H]3[C@@](O)([C@H](C)O4)C)C)C)C)C)=O
Compound: Halorosellinic acid
SMILES: O=C(O)C1=CC[C@@H]2C(=CC[C@@]2(C)C[C@H]3[C@@H]1CC[C@H]3C)[C@H]([C@@H](O)C(O)/C=C(/C(=O)O)\C)C
Compound: Alterochromide A'
SMILES: O=C1O[C@@H]([C@H](NC(=O)/C=C/C=C/C=C/C=C/C2=CC=C(O)C=C2)C(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(N[C@H]1CC(C)C)=O)CC(=O)N)=O)CC(=O)N)C(C)C)C
Compound: 6-acetylbis(methylthio)gliotoxin
SMILES: S(C1(N(C(=O)C2(SC)CC=3C(N2C1=O)C(OC(=O)C)C=CC3)C)CO)C
Compound: 4,6-dihydroxy-3,7-dimethylcoumarin
SMILES: O=C1OC2=C(C=C(O)C(=C2)C)C(=C1C)O
Compound: 6-[(methoxythio)carbonyl]pyridine-2-carboxylic acid methyl ester
SMILES: S(OC)C(=O)C1=NC(C(=O)OC)=CC=C1
Compound: hypusine
SMILES: NCC[C@@H](O)CNCCCC[C@H](N)C(O)=O
Compound: Rogerson B
SMILES: O=C(O)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](OC)[C@H]([C@@H]1O)O)CO)C(=C[C@H](C[C@H](CC)C)C)C)C)C)C)C)C)C
Compound: Wortmannilactone M
SMILES: O=C1OC2[C@@H](C)C([C@@]1(C2(/C=C/C=C/C=C/C=C(/[C@@H]3O[C@@H]([C@@](O)(C)C=C3C)C)\C)C)C)=O
Compound: Alterochromide A''
SMILES: O=C1O[C@@H]([C@H](NC(=O)/C=C/C=C/C=C/C=C/C2=CC=C(O)C=C2)C(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(N[C@H]1C(C)C)=O)CC(=O)N)=O)CC(=O)N)C(C)C)C
Compound: omega-acetylcarviolin
SMILES: O=C1C2=C(OC)C=C(COC(=O)C)C=C2C(=O)C=3C1=C(O)C=C(O)C3
Compound: Wortmannilactone N
SMILES: O=C1OC2[C@@H](C)C([C@@]1(C2(/C=C/C=C/C=C/C=C(/[C@@H]3O[C@@H](C(C)=C[C@]3(O)C)C)\C)C)C)=O
Compound: Alterochromide B
SMILES: O=C1O[C@@H]([C@H](NC(=O)/C=C/C=C/C=C/C=C/C=C/C2=CC=C(O)C=C2)C(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(N[C@H]1[C@@H](CC)C)=O)CC(=O)N)=O)CC(=O)N)C(C)C)C
Compound: (3R)-4-chloro-3-hydroxy-4-pentenamide
SMILES: ClC(=C)[C@H](O)CC(=O)N
Compound: SQ-02-S-L1
SMILES: O=C1N(C(C(=O)O)CCCCN2C(=O)C=3C=C(O)C4=C(C3C2)O[C@]56[C@]([C@H](CC[C@H]5C([C@@H](OC(=O)C)CC6)(C)C)C)(C)C4)CC7=C1C=C(O)C8=C7O[C@]9%10[C@]([C@H](CC[C@H]9C([C@@H](OC(=O)C)CC%10)(C)C)C)(C)C8
Compound: 4-chloro-3,7-dihydroxy-1,9-dimethyldibenzofuran
SMILES: ClC1=C(O)C=C(C)C2=C1OC=3C=C(O)C=C(C23)C
Compound: 6-acetylbisdethiobis(methylthio)gliotoxin
SMILES: S([C@]1(N(C(=O)[C@]2(SC)CC=3[C@H](N2C1=O)[C@@H](OC(=O)C)C=CC3)C)CO)C
Compound: Ochramide D
SMILES: O=C1NC(=CN=C1CC(C)C)[C@H]2OOC2(C)C
Compound: Alterochromide B'
SMILES: O=C1O[C@@H]([C@H](NC(=O)/C=C/C=C/C=C/C=C/C=C/C2=CC=C(O)C=C2)C(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(N[C@H]1CC(C)C)=O)CC(=O)N)=O)CC(=O)N)C(C)C)C
Compound: 5a,6-anhydrobisdethiobis(methylthio)gliotoxin
SMILES: S([C@]1(N(C(=O)[C@]2(SC)CC3=C(N2C1=O)C=CC=C3)C)CO)C
Compound: Phomoxanthone C
SMILES: O=C1C2=C(O)C(C3=C(O)C4=C(O[C@]5([C@@H](O)[C@@H](C)C[C@@H]([C@@]5(C4=O)O)O)CO)C=C3)=CC=C2O[C@@]6([C@]1(O)[C@@H](O)C[C@@H]([C@@H]6O)C)CO
Compound: Pestalpolyol D
SMILES: O=C(C(=C[C@@H]([C@H](O)C(=C[C@@H]([C@H](O)C(=C[C@@H]([C@H](O)C(=C[C@H]([C@H](O)[C@H](C[C@H](CC)C)C)C)C)C)C)C)C)C)C)CC
Compound: Sohirnone B
SMILES: O=C(C1=C(O)C(=C(O)C(=C1C)O)C)/C=C/C=C/C
Compound: Ochramide A
SMILES: O=C1NC(=CN=C1[C@H](O)C(C)C)CC(C)C
Compound: Phomoxanthone D
SMILES: O=C1C2=C(O)C(C3=C(O)C4=C(O[C@@]56[C@@H](O)[C@@H](C)C[C@@]([C@@]5(C4=O)O)(OC6)O)C=C3)=CC=C2O[C@@]7([C@]1(O)[C@@H](O)C[C@@H]([C@@H]7O)C)CO
Compound: Alterochromide B''
SMILES: O=C1O[C@@H]([C@H](NC(=O)/C=C/C=C/C=C/C=C/C=C/C2=CC=C(O)C=C2)C(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(N[C@H]1C(C)C)=O)CC(=O)N)=O)CC(=O)N)C(C)C)C
Compound: L-pyrrolysine
SMILES: C(=O)([C@@H](N)CCCCNC([C@H]1[C@@H](CC=N1)C)=O)O
Compound: Epiremisporine B1
SMILES: O=C1C2=C(OC3=C1[C@H]4C=5OC6=C(C(O)=CC(=C6)C)C(C5[C@@]7([C@H]4[C@H](C3)C(O)(C(=O)OCC)O7)C(=O)OC)=O)C=C(C)C=C2O
Compound: Favolon
SMILES: O=C1[C@H]2[C@@]3(O[C@@H]3C[C@]4([C@H]2CC[C@@H]4[C@@H](C(=O)C(O)C(C(C)C)C)C)C)[C@]5(CC[C@@H](C[C@@]65[C@H]1O6)OC(=O)C(O)C(O)(C)C)C
Compound: Tumonoic acid K
SMILES: O=C(OC)[C@H]1N(C(=O)C(C(=O)CCCC/C=C/C)C)CCC1
Compound: Ochramide B
SMILES: O=C1NC(=CN=C1[C@H](OC)C(C)C)CC(C)C
Compound: Phomoxanthone E
SMILES: O=C1C2=C(O)C3=C(O)C(C4=C(O)C=5C(O)=C6C(=O)C[C@H](C)[C@@H]([C@]6(COC(=O)C)OC5C=C4)O)=CC=C3O[C@]2([C@@H](OC(=O)C)[C@H](C1)C)CO
Compound: N-(2-methylpropyl)-2-phenylacetamide
SMILES: O=C(NCC(C)C)CC1=CC=CC=C1
Compound: Bromoalterochromide A''
SMILES: BrC1=C(O)C=CC(=C1)/C=C/C=C/C=C/C=C/C(=O)N[C@@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(O[C@@H]2C)=O)C(C)C)=O)CC(=O)N)CC(=O)N)C(C)C
Compound: Lyngbyabellin F
SMILES: ClC(Cl)(CCC[C@H](OC(=O)C=1N=C([C@H](O)COC(=O)C[C@@H](OC(=O)C)[C@@H](NC(=O)CCC)CC(C)C)SC1)[C@@H](C(=O)O[C@H](C=2SC=C(N2)C(=O)OC)C(O)(C)C)C)C
Compound: Oblongolide V
SMILES: O=C1[C@](OC[C@@H]2[C@]1([C@@H]3[C@H]([C@H](O)[C@@H](C)CC3)C=C2)C)(O)C
Compound: Ochramide C
SMILES: O=C1NC(=CN=C1[C@H](OC)C(C)C)C(O)C(C)C
Compound: Chaetospirolactone
SMILES: O=C1C(=C(/C=C/C)C[C@]12OC(=O)[C@@H](C2)O)/C=C/C
Compound: Cis-Calamenene
SMILES: C12=C(C=CC(=C1)C)[C@H](CC[C@H]2C(C)C)C
Compound: Ochralate A
SMILES: [Al](ON1C(=O)C(=NC=C1CC(C)C)C(OC)C(C)C)(ON2C(=O)C(=NC=C2CC(C)C)C(OC)C(C)C)ON3C(=O)C(=NC=C3CC(C)C)C(OC)C(C)C
Compound: N-(2-methylbutyl)-2-phenylacetamide
SMILES: O=C(NC[C@H](CC)C)CC1=CC=CC=C1
Compound: Bromoalterochromide B
SMILES: BrC1=C(O)C=CC(=C1)/C=C/C=C/C=C/C=C/C=C/C(=O)N[C@@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(O[C@@H]2C)=O)[C@@H](CC)C)=O)CC(=O)N)CC(=O)N)C(C)C
Compound: Chroman-4-one
SMILES: O=CC1=CC2=C(OC(C)(C)C=C2)C=C1
Compound: Orsellide F
SMILES: O=C1[C@@H](OC(=O)C2=C(O)C=C(O)C=C2C)[C@H](O[C@@H]([C@H]1O)C)OCCCC
Compound: 7-deacetylpyripyropene A
SMILES: O=C1OC(C2=CN=CC=C2)=CC3=C1[C@H](O)[C@@H]4[C@@]5([C@H]([C@@]([C@@H](OC(=O)C)CC5)(COC(=O)C)C)C[C@@H]([C@]4(O3)C)O)C
Compound: CJ-12,950
SMILES: O=C1OC(CC(O)[C@H]2O[C@H]2C(C=CC=3C1=C(O)C=CC3)O)C/C=C/NC(=O)/C=C\C=N/OC
Compound: Bromoalterochromide B'
SMILES: BrC1=C(O)C=CC(=C1)/C=C/C=C/C=C/C=C/C=C/C(=O)N[C@@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(O[C@@H]2C)=O)CC(C)C)=O)CC(=O)N)CC(=O)N)C(C)C
Compound: Phomactin Q
SMILES: O=C1C2=C([C@]([C@H](C)C[C@@H]2O)(CCC(C)=CCC[C@@]3([C@@H]1O3)C)C)C
Compound: Orellanine-4,4'-diglucopyranoside
SMILES: O1C(OC2=C(O)C(=[N+]([O-])C=C2)C3=[N+]([O-])C=CC(=C3O)OC4OC(C(O)C(C4O)O)CO)C(O)C(O)C(C1CO)O
Compound: Philippin
SMILES: O=C(O)[C@]12[C@](COC1)(CC[C@@H]2O)CC(=O)C3=C(O)C=CC(=C3)O
Compound: [(1S,2R,4aR,5R,8R,8aR)-1,8a-dihydroxy-3,8-dimethyl-5-prop-1-en-2-yl-2,4a,5,6,7,8-hexahydro-1H-naphthalen-2-yl] acetate
SMILES: O=C(O[C@@H]1C(=C[C@@H]2[C@H](C(=C)C)CC[C@H]([C@@]2([C@H]1O)O)C)C)C
Compound: Butyl 2,4-dihydroxy-6-methylbenzoate
SMILES: O=C(OCCCC)C1=C(O)C=C(O)C=C1C
Compound: Bromoalterochromide B''
SMILES: BrC1=C(O)C=CC(=C1)/C=C/C=C/C=C/C=C/C=C/C(=O)N[C@@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(O[C@@H]2C)=O)C(C)C)=O)CC(=O)N)CC(=O)N)C(C)C
Compound: Phomactin R
SMILES: O=C1C=2C(=C)[C@]([C@H](C)CC2)(CCC(C)=CCC[C@@]3([C@@H]1O3)C)C
Compound: Parmosidone E
SMILES: O=C1OC2=C(C(=C(O)C(=C2C)C(=O)O)C)OC3=C1C(=CC(=C3C=O)O)C
Compound: 3beta,9alpha,14alpha-trihydroxy-(22E,24R)-ergost-22-en-7-one
SMILES: O=C1C2[C@@](O)([C@]3(CC[C@@H](CC3C1)O)C)CC[C@]4([C@@]2(O)CC[C@H]4C(/C=C/[C@@H](C(C)C)C)C)C
Compound: 10-Phenyl-[11]-cytochalasan E
SMILES: O=C1[C@]23C(=O)N[C@H]([C@@H]2[C@H](C)C([C@H]([C@@H]3C=CC[C@@H](C[C@@]([C@@H](C1)OC(=O)C)(O)C)C)O)=C)CC4=CC=CC=C4
Compound: Ficiolide H
SMILES: O=C(O[C@@H](CC[C@H](O)C=CC(=O)O)C)C=C[C@@H](O)CC[C@H](O)C
Compound: 12-epicitreoisocoumarinol
SMILES: O=C1OC(=CC=2C1=C(O)C=C(O)C2)C[C@H](O)C[C@@H](O)C
Compound: Dibromoalterochromide A
SMILES: BrC1=C(O)C(Br)=CC(=C1)/C=C/C=C/C=C/C=C/C(=O)N[C@@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(O[C@@H]2C)=O)[C@@H](CC)C)=O)CC(=O)N)CC(=O)N)C(C)C
Compound: Phomactin S
SMILES: O=C1C2=CC[C@@H](C)[C@@]([C@@H]2C)(CC[C@@]3(C)[C@H](CC[C@@]4([C@@H]1O4)C)O3)C
Compound: Hurgadol
SMILES: Br[C@H]1C([C@]2(C(=C)CC1)CC(Cl)C(O)(C)CC2)(C)C
Compound: Anhydroarthrosporone
SMILES: O=C1C=C2C[C@@]3(O)CC(C[C@H]3[C@@]2([C@H]1C)C)(C)C
Compound: Dibromoalterochromide A'
SMILES: BrC1=C(O)C(Br)=CC(=C1)/C=C/C=C/C=C/C=C/C(=O)N[C@@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(O[C@@H]2C)=O)CC(C)C)=O)CC(=O)N)CC(=O)N)C(C)C
Compound: (-)-(R)-6-hydroxy-1,8-dimethoxy-3a-methyl-3,3a-dihydrocyclopenta[c]isochromene-2,5-dione
SMILES: O=C1O[C@]2(C(=C(OC)C(C2)=O)C=3C1=C(O)C=C(OC)C3)C
Compound: Ergosta-4,6,8,22-tetraen-3-one
SMILES: O=C1C=C2C=CC=3[C@H]4[C@]([C@@H]([C@@H](/C=C/C(C(C)C)C)C)CC4)(C)CCC3[C@@]2(C)CC1
Compound: Phomactin T
SMILES: O=C1C2=C3C(=O)O[C@](C)(CC[C@]3([C@H](C)CC2=O)C)[C@H](CC[C@@]4([C@@H]1O4)C)O
Compound: Sansalvamide A amide
SMILES: O=C1N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(N[C@H]1C(C)C)=O)CC(C)C)=O)CC(C)C)CC2=CC=CC=C2)CC(C)C
Compound: Dibromoalterochromide B
SMILES: BrC1=C(O)C(Br)=CC(=C1)/C=C/C=C/C=C/C=C/C=C/C(=O)N[C@@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(O[C@@H]2C)=O)[C@@H](CC)C)=O)CC(=O)N)CC(=O)N)C(C)C
Compound: Nocarasin B
SMILES: O=C(OC)C1=CC(O)=C(C/C=C(/CCC=C(C)C)\C)C=C1
Compound: (+)-(S)-6-hydroxy-1,8-dimethoxy-3a-methyl-3,3a-dihydrocyclopenta[c]isochromene-2,5-dione
SMILES: O=C1O[C@@]2(C(=C(OC)C(C2)=O)C=3C1=C(O)C=C(OC)C3)C
Compound: Phomactin U
SMILES: O=C1C2=C[C@H](O)[C@@H](C)[C@@]([C@@H]2C)(CC[C@@]3(C)[C@H](CC[C@@]4([C@@H]1O4)C)O3)C
Compound: 1-Hydroxy-D-788-11
SMILES: O=C1C2=C(C(=O)C=3C1=C(O)C4=C(C[C@@](O)(CC)C[C@@H]4OC5OC(C(O)C(C5)N)C)C3)C(O)=CC=C2O
Compound: 3,11-dihydroxy-6,8-dimethyldodecanoic acid
SMILES: O=C(O)CC(O)CCC(CC(CCC(O)C)C)C
Compound: (+)-epogymnolactam
SMILES: O=C1NC(O)(CCCC)[C@@H]2[C@H]1O2
Compound: Dibromoalterochromide B'
SMILES: BrC1=C(O)C(Br)=CC(=C1)/C=C/C=C/C=C/C=C/C=C/C(=O)N[C@@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(O[C@@H]2C)=O)CC(C)C)=O)CC(=O)N)CC(=O)N)C(C)C
Compound: 1,4,5-trihydroxy-2-methyl-9H-xanthen-9-one
SMILES: O=C1C2=C(OC3=C1C=CC=C3O)C(O)=CC(=C2O)C
Compound: Sch 20562
SMILES: O=C/1N[C@@H](C(=O)NCC(=O)N([C@H](C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(N[C@@H](C(N[C@@H](C(N\C1=C\C)=O)CC2=CC=C(O)C=C2)=O)[C@H](O)C)=O)NC(=O)/C(/NC(=O)C[C@H](O)CCCCCCCCCCC)=C\C)C)CC=3NC=NC3)[C@@H](O[C@H]4O[C@@H]([C@@H](O)[C@@H]([C@H]4O)O)CO)C)C)CCC(=O)N
Compound: Phomactin V
SMILES: O=C1C2=CC[C@@H](C)[C@@]([C@@H]2C)(C[C@H](O)C(C)=CCC[C@]3([C@H]1O3)C)C
Compound: Simplifungin
SMILES: O=C(O)[C@@H](N)[C@H](O)CCCCCCCC[C@H](O)CCCCCC
Compound: Hinnuliquinone
SMILES: O=C1C(O)=C(C(=O)C(=C1C=2C3=C(C=CC=C3)NC2C(C=C)(C)C)O)C=4C5=C(C=CC=C5)NC4C(C=C)(C)C
Compound: Capreomycin IB
SMILES: O=C/1N[C@H](C(=O)NC[C@H](N)C(=O)N[C@H](C(N[C@H](C(N\C1=C/NC(=O)N)=O)CNC(=O)C[C@H](N)CCCN)=O)C)[C@@H]2NC(=NCC2)N
Compound: Terricolin
SMILES: [Fe].O=C1N(O)C=CC(=C1[C@@H]2[C@@H](C=C)C[C@@H](C)C[C@H]2C)O.O=C1N(O)C=CC(=C1[C@@H]2[C@@H](C=C)C[C@@H](C)C[C@H]2C)O.O=C1N(O)C=CC(=C1[C@@H]2[C@@H](C=C)C[C@@H](C)C[C@H]2C)O
Compound: Valsafungin A
SMILES: O=C(O)[C@@H](CO)CCCCCCCCC[C@H](O)CCCCCC
Compound: Bybetapectin A
SMILES: O=C(C1=C(C(O)=CC=C1)C=2OC=3C=CC=C(C3C2)C(=O)CCCCCCCC)CCCCCCCC
Compound: Wewakpeptin C
SMILES: O=C1N[C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)O[C@H](CC2=CC=CC=C2)C(N3[C@H](C(N4[C@H](C(N[C@H](C(O[C@@H](C1(C)C)CCCC#C)=O)C(C)C)=O)CCC4)=O)CCC3)=O)C(C)C)C)C)C)C)C)[C@H](CC)C
Compound: 5alpha,8alpha-epidioxy23,24(R)-dimethylcholesta-6,9(11),22-trien-3-ol
SMILES: O1O[C@@]23C=C[C@]14C(=CC[C@]5([C@H]4CC[C@@H]5[C@@H](/C=C(/[C@@H](C(C)C)C)\C)C)C)[C@]2(CC[C@@H](C3)O)C
Compound: M139603
SMILES: O=C/1OCC(\C1=C(/O)\[C@H]([C@@H]2[C@@H](/C=C(/[C@@H]3O[C@H](/C=C/[C@@H]([C@@H]4O[C@@H]([C@@H](OC)C)C[C@@H]4C)C)CC[C@H]3C)\CO)CCC[C@H]2C)C)=O
Compound: Malletenin E
SMILES: O=C1C(O)=CC(C)=C2C(=C1)O[C@]3(OC[C@H]([C@@H]3O)C)[C@H](C)C2
Compound: Valsafungin B
SMILES: O=C(O)[C@@H](CO)CCCCCCCCCC(=O)CCCCCC
Compound: Bybetapectin B
SMILES: O=C1O/C(=C\CCCCCCC)/C=2C1=C(O)C=CC2
Compound: Spirangien L
SMILES: O=C(O)C[C@H](OC)\C=C/C=C\C=C/C=C/C=C\[C@@H]([C@H](O)[C@@H]([C@H]1O[C@]2(O[C@@H]([C@H](C)[C@@H](C2)OC)[C@@H]([C@@H](O)[C@H](C/C(=C/C)/C)C)C)[C@@H](O)C[C@@H]1C)C)C
Compound: Arthrofactin A
SMILES: O=C1O[C@@H]([C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)CC(O)CCCCCCC)CC(C)C)CC(=O)O)C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(N[C@@H](C(N[C@H](C(N[C@H](C(N[C@H]1CC(=O)O)=O)[C@H](CC)C)=O)[C@H](CC)C)=O)CO)=O)CC(C)C)CO)CC(C)C)CC(C)C)C
Compound: Clearanol E
SMILES: O=C1C2=C(O)C=C(OC)C(=C2[C@@](C1)([C@H](O)CO)C)C
Compound: Flammuspirone H
SMILES: O=C1C(=C[C@@]2(C1)[C@H](O)[C@H](C(C)C)C[C@@H]([C@H]2C)O)CO
Compound: 8-chlorogenistein
SMILES: ClC1=C2OC=C(C3=CC=C(O)C=C3)C(C2=C(O)C=C1O)=O
Compound: Bybetapectin C
SMILES: O=CC1=C(O)C=CC=C1CCCCCCCCC
Compound: Curvupallide B
SMILES: O=C1N(OC)C(=C)C2=C1[C@H](O)[C@@H](O)[C@@H](O2)/C=C/C=C/C
Compound: Flammuspirone I
SMILES: O=C1C(=C[C@@]2(C1)[C@H](O)[C@H](C(O)(C)C)C[C@@H]([C@H]2C)O)C
Compound: Permetin A
SMILES: O=C1OC(C(CC)C)CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CC2=CC=CC=C2)C(NC(C(NC(C(NC(C(NC(C(NC1CO)=O)CC(C)C)=O)C(C)C)=O)CCN)=O)CC(C)C)=O)CCN)C(CC)C)CCN
Compound: (E)-cladodionen
SMILES: O=C/1NC(=C(C)C)C(\C1=C\2/O[C@H](CC=C2)C)=O
Compound: Penitricin D
SMILES: O=C1C(=C)[C@@H]1O
Compound: Helicusin C
SMILES: ClC1=C2C(C(=O)[C@@](C1=O)(OC(=O)C/C(=C\C(=O)O)/C)C)=COC(=C2)/C=C/C(=C/[C@H](CC)C)/C
Compound: Penicimutanolone B
SMILES: O=C(N[C@H]1C(OC2(C1)[C@H]3O[C@H]3C(O)(CC(=O)C)[C@@H]4[C@H]2O4)O)/C=C/[C@@H](C[C@@H](CCCCCC)C)C
Compound: Flammuspirone J
SMILES: O=C1C(=C[C@@]2(C1)[C@H](O)[C@H](C(=C)C)C[C@@H]([C@H]2C)O)C
Compound: Aclacinomycin B1
SMILES: O=C1C2=C(O)C3=C([C@@H](C(=O)OC)[C@@](O)(CC)CC3O[C@@H]4O[C@H]([C@@H](O[C@@H]5O[C@H]([C@H]6O[C@@H]7O[C@@H](C)C(C[C@@H]7O[C@H]6C5)=O)C)[C@H](C4)N(C)C)C)C=C2C(=O)C=8C1=C(O)C=CC8
Compound: (Z)-cladodionen
SMILES: O=C/1NC(=C(C)C)C(\C1=C/2\O[C@H](CC=C2)C)=O
Compound: N(6)-(5'-adenylyl)-L-lysine
SMILES: NC1=NC=NC2=C1N=CN2[C@@H]3O[C@H](COP(=O)(NCCCC[C@@H](C(O)=O)N)O)[C@@H](O)[C@H]3O
Compound: Cryptothamnolic acid
SMILES: O=C(OC1=C(O)C(=C(O)C(=C1C)C(=O)O)C)C2=C(O)C(=C(OC)C=C2C)C=O
Compound: Dethiosecoemestrin
SMILES: O=C1N(C(=O)C2=CC=3[C@H](N2C1=O)[C@@H](OC(=O)C4=CC(OC5=C(O)C=CC(=C5)C=O)=C(OC)C=C4)C=COC3)C
Compound: Penicimutanolone A methyl ether
SMILES: O=C(N[C@@H]1[C@H](OC2(C1)[C@H]3O[C@H]3C(O)(CC(=O)C)[C@@H]4[C@H]2O4)OC)/C=C/[C@@H](C[C@@H](CCCCCC)C)C
Compound: 1,2,6,10-tetrahydroxy-3,9-epoxy-14-nor-5(15)-eudesmane
SMILES: O1[C@H]2C(=C)[C@H]3[C@H](O)[C@@H](C[C@@H]1[C@@]3(O)[C@@H]([C@H]2O)O)C(C)C
Compound: Pseudomonic acid C
SMILES: O=C(OCCCCCCCCC(=O)O)/C=C(/C[C@@H]1OC[C@H](C/C=C/[C@H]([C@@H](O)C)C)[C@H]([C@H]1O)O)\C
Compound: DC-52
SMILES: O=C(O)[C@H]1[C@H]2N(C)[C@@H](C1)[C@H]3OC[C@@H]4N3[C@H]2CC=5C=CC=C(C45)OC
Compound: Peniginsengin A
SMILES: O=C1C=C([C@@H](O)[C@@H]2[C@]1(O2)C/C=C(/CC/C=C(/CCC(=O)O)\C)\C)C
Compound: Agglomerin C
SMILES: O=C1OC(=C)C(=C1C(=O)CCCCCCCCCCC)O
Compound: Penicimumide
SMILES: O=C(N)/C=C/[C@@H](C[C@@H](CCCCCC)C)C
Compound: Sorbicillamine B
SMILES: O=C1C(=C(O)/C(=C(\O)/C=C/C=C/C)/[C@H]2[C@@]1(O[C@@]3(O)[C@@](O)(C4=N[C@H](/C=C/C)CC(C4=C([C@@]23C)O)=O)C)C)C
Compound: Flamvelutpenoid E
SMILES: O=C(O)C1=CC=C([C@@]2(C(C[C@H](C2)O)(C)C)C)C=C1
Compound: BMY-28160
SMILES: O=C1OC(C(CC)C)CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](CC2=CC=CC=C2)C(N[C@H](C(N[C@H](C(N[C@@H](C(N[C@H](C(N[C@H]1CO)=O)CC(C)C)=O)C(C)C)=O)CCN)=O)CC(C)C)=O)CCN)C(C)C)CCN
Compound: (+)-brevianamide X
SMILES: O=C/1N2[C@@](O)(C(=O)N\C1=C/C=3C4=C(C=CC=C4)NC3C(C=C)(C)C)[C@@H](O)CC2
Compound: Annularin F
SMILES: O=C1OC2=C(C(=O)O[C@H]2CC)C(=C1)OC
Compound: Penicimutanolone A
SMILES: O=C(N[C@@H]1C(OC2(C1)[C@H]3O[C@H]3C(O)(CC(=O)C)[C@@H]4[C@H]2O4)O)/C=C/[C@@H](C[C@@H](CCCCCC)C)C
Compound: Macbecin 1
SMILES: O=C1NC=2C(=O)C(=CC(C2)=O)C(OC)C(CC(OC)C(OC)C(C=C(C(C(C=CC=C1C)C)OC(=O)N)C)C)C
Compound: (-)-brevianamide X
SMILES: O=C/1N2[C@](O)(C(=O)N\C1=C/C=3C4=C(C=CC=C4)NC3C(C=C)(C)C)[C@H](O)CC2
Compound: (E)-4-[(1R,2S)-3-[(E)-hept-1-enyl]-1,2-dihydroxy-4-(hydroxymethyl)-5-oxocyclohex-3-en-1-yl]-2-methylbut-2-enoic acid
SMILES: O=C1C(=C(/C=C/CCCCC)[C@H](O)[C@@](C1)(O)C/C=C(/C(=O)O)\C)CO
Compound: Platensimycin A5
SMILES: O=C1C=C[C@@]23C[C@@](O)(CO)C(C2)CCC3[C@@]1(CCC(=O)NC4=C(O)C(C(=O)O)=CC=C4O)C
Compound: Flamvelutpenoid F
SMILES: O=C(O)C1=CC=C([C@@]2(C(C[C@@H](C2)O)(C)C)C)C=C1
Compound: Aspergillusine A
SMILES: O=C1NC(=NC(=C1)CC(C)C)CCC(=O)N
Compound: Tetroazolemycin A
SMILES: S1SC[C@H]2N(C[C@@H]3N([C@H]([C@H]4N=C(C5=C(O)C=CC=C5)OC4)SC3)C)C([C@@H](C1)N(C[C@@H]6N([C@H]([C@H]7N=C(C8=C(O)C=CC=C8)OC7)SC6)C)C2=O)=O
Compound: 3,3_-cyclohexylidenebis(1H-indole)
SMILES: N1C2=C(C=CC=C2)C(=C1)C3(C=4C5=C(C=CC=C5)NC4)CCCCC3
Compound: Ganoderic acid df
SMILES: O=C1C([C@H]2[C@](C3=C([C@@]4(C(=O)C[C@@H]([C@@]4(C)C[C@@H]3O)[C@@H](CC(=O)CC(C(=O)O)C)C)C)[C@H](C2)O)(C)CC1)(C)C
Compound: Flammufuranone A
SMILES: O=C1C=C([C@]2(C=CC(C2(C)C)=O)C)O[C@@]1(CC(=O)O)C
Compound: Platensimycin A6
SMILES: O=C1[C@](C2[C@@]3(C[C@]4(C)O[C@H]2CC4C3)[C@@H](C1)O)(CCC(=O)NC5=C(O)C(C(=O)O)=CC=C5O)C
Compound: 2-deoxy-sohirnone C
SMILES: O=C(C1=C(C(O)=C(O)C(=C1)C)C)CC/C=C/C
Compound: Muraymycin B1
SMILES: O=C1N(C=CC(N1)=O)[C@@H]2O[C@H]([C@@H](O[C@@H]3O[C@H](CN)[C@H]([C@H]3OC)O)[C@H](NCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)N[C@H](C(=O)O)C(C)C)[C@H]4NC(=NCC4)N)[C@@H](OC(=O)CCCCCCC(CC)C)C(C)C)C(=O)O)[C@H]([C@H]2O)O
Compound: Oxopropylisoherqueinone A
SMILES: O=C1C=2C3=C(C(=O)[C@@]4(O)C(C)(C)[C@H](OC4=C3C(C)=CC2O)C)C([C@]1(O)CC(=O)C)=O
Compound: Micropeptin F
SMILES: O=C1O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)CCCCCCC)CCC(=O)O)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=C(O)C=C3)C)=O)CC(C)C)C2=O)O)CC4=CC=C(O)C=C4)C
Compound: Flammufuranone B
SMILES: O=C1C=C([C@@]2(C=CC(C2(C)C)=O)C)O[C@@]1(CC(=O)O)C
Compound: Venezueline A
SMILES: O=C1C(NC(=O)C)=CC2=NC=3C=C(CO)C(=CC3OC2=C1)CC4=CC(NC(=O)C)=C(O)C=C4
Compound: 5S-hydroxynorvaline-S-Ile
SMILES: O=C1N[C@H](C(=O)N[C@H]1[C@H](CC)C)CCCO
Compound: Phomoeuphorbin A
SMILES: O=C1C=2C(=C[C@H]([C@]1(O)C)O)C[C@H](/C=C/C=C/C(=O)O)OC2
Compound: Flammuspirone A
SMILES: O=C1C(=C[C@@]2(C1)[C@H](O)[C@H](C(O)(C)C)[C@@H](O)C[C@H]2C)C
Compound: Quinadoline D
SMILES: O=C1N2C(=NC3=C1C=CC=C3)C(NC([C@H]2C[C@]4(O)C5=C(C=CC=C5)N6[C@H]4NC(=C)C6=O)=O)=C(C)C
Compound: (3S)-9-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-7-methoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione
SMILES: O=C1C2=C(O[C@@H]3O[C@@H]([C@@H](OC)[C@@H]([C@H]3O)O)CO)C=C(OC)C=C2C(=O)C4=C1CO[C@H](C4)C
Compound: 3S-hydroxylcyclo(S-Pro-S-Phe)
SMILES: O=C1N2C(O)CC[C@H]2C(=O)N[C@H]1CC3=CC=CC=C3
Compound: Venezueline E
SMILES: O=C1C(NC(=O)C)=CC2=NC=3C=C(COC(=O)CCC)C=CC3OC2=C1
Compound: Verucopeptin
SMILES: O=C1N2NCCCC2C(=O)N(O)CC(=O)N(CC(=O)NCC(N(CC(OC(C1NC(=O)C(O)(C3(OC(/C(=C/C(CC(CC(CC)C)C)C)/C)C(OC)CC3)O)C)C(C)C)=O)C)=O)C
Compound: Flammuspirone B
SMILES: O=C1C(=C[C@@]2(C1)[C@H](O)[C@@H]([C@@H](O)C[C@H]2C)C(C)C)C
Compound: Dumulmycin
SMILES: O=C1O[C@@H]([C@@H]([C@@H](O)C[C@@H](O)C=C[C@H]2C(=O)C(O)=C([C@@H]2C=CC(=C[C@H](C(=CC1)C)O)C)C)C)[C@H](CCC(=O)CCC)C