MonarchInit/C3PO huggingface dataset:
Compound: CDP-DG(PGE2/20:3(5Z,8Z,11Z))
SMILES: P1(OC[C@H]2O[C@@H](N3C=CC(=NC3=O)N)[C@H](C(=O)C[C@@H](O)[C@@H]([C@H](O)[C@@H]2O)/C=C/[C@@H](O)CCCCC)CC=CCCCC(OC[C@@H](OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)COP(O1)(O)=O)=O)(O)=O
Compound: CDP-DG(PGE2/a-17:0)
SMILES: P1(OC[C@H]2O[C@@H](N3C=CC(=NC3=O)N)[C@H](C(=O)C[C@@H](O)[C@@H]([C@H](O)[C@@H]2O)C=C[C@@H](O)CCCCC)CC=CCCCC(OC[C@@H](OC(=O)CCCCCCCCCCCCC(CC)C)COP(O1)(O)=O)=O)(O)=O
Compound: 2-Amino-2,3,6,7-tetrahydro-1H-pteridin-4-one
SMILES: O=C1NC(NC2=NCCN=C21)N
Compound: CDP-DG(5-iso PGF2VI/i-19:0)
SMILES: P1(OC[C@H]2O[C@@H](N3C=CC(=NC3=O)N)[C@@H]([C@@H](O)C[C@@H](O)[C@@H]([C@H](O)[C@@H]2O)/C=C/[C@H](O)CCCCC)CC=CCC(OC[C@@H](OC(=O)CCCCCCCCCCCCCCCC(C)C)COP(O1)(O)=O)=O)(O)=O
Compound: Partricin
SMILES: O1C2(O)CC(O)C(C1CC(O[C@H]3O[C@H]([C@H](O)[C@@H](N)[C@H]3O)C)C=CC=CC=CC=CC=CC=CC=CC(C(OC(=O)CC(O)CC(=O)CC(O)CC(O)CC(O)CC(O)C2)C(CCC(O)CC(=O)C4=CC=C(N)C=C4)C)C)C(O)=O
Compound: 2-Phenyl-5-(5-methyl-3-pyridinylmethyl)pyridine
SMILES: N1=C(C=CC(CC=2C=C(C=NC2)C)=C1)C3=CC=CC=C3
Compound: PA(13:0/20:3(8Z,11Z,14Z)-2OH(5,6))
SMILES: P(OC[C@H](OC(=O)CCCC(O)C(O)C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCC)(O)(O)=O
Compound: PA(17:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))
SMILES: P(OC[C@H](OC(=O)CCC[C@@H](O)/C=C\C=C\C=C\[C@@H](O)C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCC)(O)(O)=O
Compound: PG(20:4(6Z,8E,10E,14Z)-2OH(5S,12R)/i-12:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC(C)C)COC(=O)CCC[C@H](O)/C=C\C=C\C=C\[C@H](O)C/C=C\CCCCC)(OC[C@@H](O)CO)(O)=O
Compound: CDP-DG(20:2(11Z,14Z)/6 keto-PGF1alpha)
SMILES: P1(OC[C@H]2O[C@@H](N3C=CC(=NC3=O)N)[C@H]([C@@H](O)C[C@@H](O)[C@@H]([C@H](O)[C@@H]2O)/C=C\[C@@H](O)CCCCC)CC(=O)CCCCC(O[C@@H](COP(O1)(O)=O)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)=O)(O)=O
Compound: 2-Pyridylethanol
SMILES: OCCC=1N=CC=CC1
Compound: DMABA-d10 NHS ester
SMILES: O(N1C(=O)CCC1=O)C(=O)C2=C(C(=C(N(C([2H])([2H])[2H])C([2H])([2H])[2H])C(=C2[2H])[2H])[2H])[2H]
Compound: CDP-DG(20:4(5Z,8Z,11Z,14Z)/PGF2alpha)
SMILES: P1(OC[C@H]2O[C@@H](N3C=CC(=NC3=O)N)[C@H]([C@@H](O)C[C@@H](O)[C@@H]([C@H](O)[C@@H]2O)/C=C\[C@@H](O)CCCCC)CC=CCCCC(O[C@@H](COP(O1)(O)=O)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)(O)=O
Compound: DG(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/12:0/0:0)
SMILES: O(C(=O)CCCCCCCCCCC)[C@H](COC(=O)CCC[C@H](O)[C@@H](O)/C=C\C=C/C=C/C=C/[C@H](O)C/C=C\CC)CO
Compound: Modecainide
SMILES: O=C(NC=1C(CCC2N(CCCC2)C)=CC=CC1)C3=CC(OC)=C(O)C=C3
Compound: PA(13:0/PGF1alpha)
SMILES: P(OC[C@H](OC(=O)CCCCCC[C@@H]1[C@H]([C@H](O)C[C@@H]1O)/C=C/[C@@H](O)CCCCC)COC(=O)CCCCCCCCCCCC)(O)(O)=O
Compound: (2Z,4Z)-Octa-2,4-dienedioylcarnitine
SMILES: O(C(C[N+](C)(C)C)CC([O-])=O)C(=O)/C=C/C=C/CCC(O)=O
Compound: PGP(18:0/6 keto-PGF1alpha)
SMILES: P(OC[C@H](OC(=O)CCCCC(=O)C[C@@H]1[C@H]([C@H](O)C[C@@H]1O)/C=C/[C@@H](O)CCCCC)COC(=O)CCCCCCCCCCCCCCCCC)(OC[C@@H](O)COP(O)(O)=O)(O)=O
Compound: CDP-DG(PGJ2/22:5(4Z,7Z,10Z,13Z,16Z))
SMILES: P1(OC[C@H]2O[C@@H](N3C=CC(=NC3=O)N)[C@@H](CC=CCCCC(OC[C@@H](OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(O1)(O)=O)=O)C=CC(=O)[C@@H]([C@H](O)[C@@H]2O)/C=C/[C@@H](O)CCCCC)(O)=O
Compound: Elatoside D
SMILES: O([C@@H]1C([C@H]2[C@@]([C@@H]3[C@]([C@]4(C([C@H]5[C@@](CC4)(CCC(C5)(C)C)C(O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO)=O)=CC3)C)(CC2)C)(CC1)C)(C)C)[C@@H]7O[C@@H]([C@@H](O)[C@H](O[C@@H]8O[C@@H]([C@H](O)[C@H](O)[C@H]8O)CO)[C@H]7O[C@@H]9O[C@@H]([C@H](O)[C@H](O)[C@H]9O)CO)C(O)=O
Compound: Acetyl vitamin K5
SMILES: OC=1C=2C(C(NC(=O)C)=CC1C)=CC=CC2
Compound: (2S)-2-(2-Benzamidoethylamino)-5-(diaminomethylideneamino)pentanoic acid
SMILES: OC(=O)C(NCCNC(=O)C1=CC=CC=C1)CCCN=C(N)N
Compound: 3-O-Demethylfortimicin A
SMILES: O(C1C(O)C(N(C)C(=O)CN)C(O)C(O)C1N)C2OC(CCC2N)C(N)C
Compound: (4Z)-6-[(1S,2R,3R)-3-Hydroxy-2-[(1E,3S,5Z,8Z)-3-hydroxyundeca-1,5,8-trien-1-yl]-5-oxocyclopentyl]hex-4-enoylcarnitine
SMILES: OC1C(C(C(=O)C1)C/C=C/CCC(OC(C[N+](C)(C)C)CC([O-])=O)=O)/C=C/C(O)C/C=C\C/C=C/CC
Compound: Substance P (6-11), arg(6)-trp(7,9)-Me-phe(8)-
SMILES: S(CC[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](N)CC1=CC=C(C=C1)C)CC=2C=3C(NC2)=CC=CC3)CC(C)C)C(=O)NC(=O)[C@H](NC(=O)[C@@H](N)CCCN=C(N)N)CC=4C=5C(NC4)=CC=CC5)C
Compound: Mepartricin B
SMILES: O1C2(O)CC(O)C(C1CC(O[C@H]3O[C@H]([C@H](O)[C@@H](N)[C@H]3O)C)C=CC=CC=CC=CC=CC=CC=CC(C(OC(=O)CC(O)CC(=O)CC(O)CC(O)CC(O)CC(O)C2)C(CCC(O)CC(=O)C4=CC=C(N)C=C4)C)C)C(OC)=O
Compound: CDP-DG(PGF1alpha/18:0)
SMILES: P1(OC[C@H]2O[C@@H](N3C=CC(=NC3=O)N)[C@H]([C@@H](O)C[C@@H](O)[C@@H]([C@H](O)[C@@H]2O)/C=C/[C@@H](O)CCCCC)CCCCCCC(OC[C@@H](OC(=O)CCCCCCCCCCCCCCCCC)COP(O1)(O)=O)=O)(O)=O
Compound: Soyasaponin A2
SMILES: O(C1C(C2[C@@](C3[C@]([C@]4(C([C@@H]5[C@@](CC4)([C@@H](O[C@@H]6OC[C@H](O)[C@H](O[C@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)CO)[C@H]6O)[C@@H](O)C(C5)(C)C)C)=CC3)C)(CC2)C)(CC1)C)(CO)C)[C@@H]8O[C@@H]([C@H](O)[C@H](O)[C@H]8O[C@@H]9O[C@@H]([C@H](O)[C@H](O)[C@H]9O)CO)C(O)=O
Compound: N-Arachidonoyl-3-hydroxy-g-Aminobutyric Acid
SMILES: OC(CNC(=O)CCC/C=C/C/C=C/C\C=C\C\C=C\CCCCC)CC(O)=O
Compound: PE(16:0/PGF1alpha)
SMILES: P(OC[C@H](OC(=O)CCCCCC[C@@H]1[C@H]([C@H](O)C[C@@H]1O)/C=C/[C@@H](O)CCCCC)COC(=O)CCCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: PC(20:4(8Z,11Z,14Z,17Z)/PGE1)
SMILES: P(OC[C@H](OC(=O)CCCCCC[C@@H]1[C@H]([C@H](O)CC1=O)/C=C/[C@@H](O)CCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)(OCC[N+](C)(C)C)([O-])=O
Compound: CDP-DG(20:3(5Z,8Z,11Z)/PGE1)
SMILES: P1(OC[C@H]2O[C@@H](N3C=CC(=NC3=O)N)[C@@H](CCCCCCC(O[C@@H](COP(O1)(O)=O)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)=O)C(=O)C[C@@H](O)[C@@H]([C@H](O)[C@@H]2O)/C=C\[C@@H](O)CCCCC)(O)=O
Compound: CDP-DG(22:3(10Z,13Z,16Z)/5-iso PGF2VI)
SMILES: P1(OC[C@H]2O[C@@H](N3C=CC(=NC3=O)N)[C@@H]([C@@H](O)C[C@@H](O)[C@@H]([C@H](O)[C@@H]2O)C=C[C@H](O)CCCCC)CC=CCC(O[C@@H](COP(O1)(O)=O)COC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCCC)=O)(O)=O
Compound: Mepartricin A
SMILES: O1C2(O)CC(O)C(C1CC(O[C@H]3O[C@H]([C@H](O)[C@@H](N)[C@H]3O)C)C=CC=CC=CC=CC=CC=CC=CC(C(OC(=O)CC(O)CC(=O)CC(O)CC(O)CC(O)CC(O)C2)C(CCC(O)CC(=O)C4=CC=C(NC)C=C4)C)C)C(OC)=O
Compound: PG(a-15:0/PGF1alpha)
SMILES: P(OC[C@H](OC(=O)CCCCCC[C@@H]1[C@H]([C@H](O)C[C@@H]1O)/C=C/[C@@H](O)CCCCC)COC(=O)CCCCCCCCCCC(CC)C)(OC[C@@H](O)CO)(O)=O
Compound: SM(d17:2(4E,8Z)/PGJ2)
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](NC(=O)CCC/C=C\C[C@@H]1[C@H](C(=O)C=C1)/C=C/[C@@H](O)CCCCC)[C@H](O)/C=C/CC/C=C\CCCCCCCC)([O-])=O
Compound: PIP(18:1(11Z)/TXB2)
SMILES: P1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H]([C@@H](O)CC(O[C@@H]([C@@H](O)[C@H]2OP(O)(O)=O)C=C[C@@H](O)CCCCC)O)CC=CCCCC(O[C@@H](CO1)COC(=O)CCCCCCCCC/C=C\CCCCCC)=O)(O)=O
Compound: (5Z,7Z,10Z,13Z,16Z,19Z)-4-Hydroxydocosa-5,7,10,13,16,19-hexaenoylcarnitine
SMILES: O(C(C[N+](C)(C)C)CC([O-])=O)C(=O)CCC(O)/C=C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CC
Compound: CDP-DG(i-12:0/18:1(12Z)-O(9S,10R))
SMILES: P(OC[C@H]1O[C@@H](N2C=CC(=NC2=O)N)[C@H](O)[C@@H]1O)(OP(OC[C@H](OC(=O)CCCCCCCC3OC3C/C=C\CCCCC)COC(=O)CCCCCCCCC(C)C)(O)=O)(O)=O
Compound: CDP-DG(PGF1alpha/20:3(5Z,8Z,11Z))
SMILES: P1(OC[C@H]2O[C@@H](N3C=CC(=NC3=O)N)[C@H]([C@@H](O)C[C@@H](O)[C@@H]([C@H](O)[C@@H]2O)/C=C/[C@@H](O)CCCCC)CCCCCCC(OC[C@@H](OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)COP(O1)(O)=O)=O)(O)=O
Compound: Epitalon
SMILES: O=C(N[C@@H](CC(O)=O)C(=O)NCC(O)=O)[C@@H](NC(=O)[C@@H](N)C)CCC(O)=O
Compound: PI(PGD1/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
SMILES: P1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H]([C@@H](O)CC(=O)[C@@H]([C@@H](O)[C@H]2O)/C=C/[C@@H](O)CCCCC)CCCCCCC(OC[C@@H](OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)CO1)=O)(O)=O
Compound: Rotigaptide
SMILES: O[C@H]1C[C@@H](N(C1)C(=O)[C@@H]2N(CCC2)C(=O)[C@H](NC(=O)C)CC3=CC=C(O)C=C3)C(=O)NCC(=O)N[C@H](C)C(=O)NCC(=O)N
Compound: Annomuricatin B
SMILES: O=C1N2C(CCC2)C(=O)NC(CC(=O)N)C(=O)NC(C(=O)NC(CC=3C=4C(NC3)=CC=CC4)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC1C(O)C)C
Compound: Dpvdavp
SMILES: S1SC(CC(=O)NC(C(=O)NC(C(=O)NC(C(C)C)C(=O)NC(C(=O)NC(C(=O)N2C(CCC2)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N)C1)CC(=O)N)CC3=CC=CC=C3)CC4=CC=C(O)C=C4)(C)C
Compound: Tyrosyl-prolyl-leucyl-glycinamide
SMILES: O=C(N[C@@H](CCCC)C(=O)NCC(=O)N)[C@H]1N(CCC1)C(=O)[C@@H](N)CC2=CC=C(O)C=C2
Compound: Chenodeoxycholylalanine
SMILES: OC1C2C3C(C(CC3)C(CCC(=O)NC(C)C(O)=O)C)(CCC2C4(C(C1)CC(O)CC4)C)C
Compound: TR-Saponin A
SMILES: OC1C2(C3(C(C4(C(CC3)C(C(OC5OC(C(O)C(OC6OCC(O)C(O)C6O)C5O)C(O)=O)CC4)(C)C(OC)=O)C)CC=C2C7C(C1O)(C(OC(=O)/C(/C)=C\C)C(OC(=O)/C(/C)=C\C)C(C7)(C)C)CO)C)C
Compound: Melongoside P
SMILES: O1C2C(C3(C(C4C(C5(C(CC4)CC(OC6OC(C(O)C(OC7OC(C(O)C(O)C7O)C)C6OC8OC(C(O)C(O)C8O)CO)CO)CC5)C)CC3)C2)C)C(C1(O)CCC(COC9OC(C(O)C(O)C9O)CO)C)C
Compound: 8-(1,1-dimethylallyl)kaempferide
SMILES: COc1ccc(cc1)-c1oc2c(c(O)cc(O)c2c(=O)c1O)C(C)(C)C=C
Compound: Trigoneoside XIIIa
SMILES: O1C2C(C3(C(C4C(CC3)C5(C(=CC4)CC(OC6OC(C(OC7OC(C(O)C(OC8OC(C(O)C(O)C8O)CO)C7O)CO)C(O)C6OC9OC(C(O)C(O)C9O)C)CO)CC5)C)C2)C)C(C1(O)CCC(COC%10OC(C(O)C(O)C%10O)CO)C)C
Compound: 54-Deoxy-50-hydroxyciguatoxin
SMILES: O1C2C(OC3(OCCC3)C(C2(O)C)C)C(O)C(C4OC5C(OC6C(OC7(C(OC8C(OC9C(OC%10C(OC%11CC%12OC%13C(OC(C=CC%13)/C=C\C(O)CO)C(O)C%12OC%11C=C%10)C=C9)CC=CC8)CC7O)C6)C)CC(C5)C)CC14)C
Compound: PI(PGF2alpha/16:1(9Z))
SMILES: P1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H]([C@@H](O)C[C@@H](O)[C@@H]([C@@H](O)[C@H]2O)C=C[C@@H](O)CCCCC)CC=CCCCC(OC[C@@H](OC(=O)CCCCCCC/C=C\CCCCCC)CO1)=O)(O)=O
Compound: CDP-DG(i-19:0/PGF2alpha)
SMILES: P1(OC[C@H]2O[C@@H](N3C=CC(=NC3=O)N)[C@H]([C@@H](O)C[C@@H](O)[C@@H]([C@H](O)[C@@H]2O)C=C[C@@H](O)CCCCC)CC=CCCCC(O[C@@H](COP(O1)(O)=O)COC(=O)CCCCCCCCCCCCCCCC(C)C)=O)(O)=O
Compound: CDP-DG(PGE2/22:3(10Z,13Z,16Z))
SMILES: P1(OC[C@H]2O[C@@H](N3C=CC(=NC3=O)N)[C@H](C(=O)C[C@@H](O)[C@@H]([C@H](O)[C@@H]2O)/C=C/[C@@H](O)CCCCC)CC=CCCCC(OC[C@@H](OC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCCC)COP(O1)(O)=O)=O)(O)=O
Compound: 2-Amino-6-chloro-9-(2,3-dideoxy-beta-D-glycero-pentofuranosyl)-9H-purine
SMILES: ClC1=NC(=NC=2N([C@@H]3O[C@@H](CC3)CO)C=NC21)N
Compound: PIP(16:2(9Z,12Z)/PGE1)
SMILES: P1(O[C@@H]2[C@H](OP(O)(O)=O)[C@H](O)[C@H]([C@H](O)CC(=O)[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CCCCCCC(O[C@@H](CO1)COC(=O)CCCCCCC/C=C\C/C=C\CCC)=O)C=C[C@@H](O)CCCCC)(O)=O
Compound: Quadazocine
SMILES: OC1=CC=2[C@]3(C([C@H](N(CC3)C)CC2C=C1)(CCC(=O)CCC4CCCC4)C)C
Compound: CDP-DG(22:5(4Z,7Z,10Z,13Z,16Z)/PGJ2)
SMILES: P1(OC[C@H]2O[C@@H](N3C=CC(=NC3=O)N)[C@@H](CC=CCCCC(O[C@@H](COP(O1)(O)=O)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)C=CC(=O)[C@@H]([C@H](O)[C@@H]2O)/C=C/[C@@H](O)CCCCC)(O)=O
Compound: Methyl 20-dihydroprednisolonate
SMILES: O[C@]1([C@@]2([C@H]([C@H]3[C@H]([C@@H](O)C2)[C@@]4(C(CC3)=CC(=O)C=C4)C)CC1)C)C(O)C(OC)=O
Compound: N-Docosahexaenoyl Alanine
SMILES: O=C(NC(C)C(O)=O)CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CC
Compound: (3R,4R,5R)-3-Fluoro-5-(hydroxymethyl)oxolane-2,3,4-triol
SMILES: FC1(O)C(O)C(OC1O)CO
Compound: Gomphrenol
SMILES: O1C=2C(=C(O)C=3OCOC3C2)C(=O)C(O)=C1C4=CC=C(O)C=C4
Compound: 1H-Imidazole-1-acetamide, N,N-bis(2-hydroxyethyl)-2-nitro-
SMILES: O=C(N(CCO)CCO)CN1C(=NC=C1)[N+]([O-])=O
Compound: MG(5-iso PGF2VI/0:0/0:0)
SMILES: O[C@@H]1[C@H]([C@H]([C@H](O)C1)/C=C/[C@H](O)CCCCC)C/C=C\CC(OC[C@@H](O)CO)=O
Compound: PE(15:0/20:5(5Z,8Z,11Z,14Z,16E)-OH(18R))
SMILES: P(OC[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C=C\[C@H](O)CC)COC(=O)CCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: 8-Hydroxyhexadecanoic acid
SMILES: OC(CCCCCCCC)CCCCCCC(O)=O
Compound: 6-[(2R,4S,5R)-4-Hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7,8-dihydroimidazo[1,2-c]pyrimidin-5-one
SMILES: O1C(N2CCC=3N(C2=O)C=CN3)CC(O)C1CO
Compound: CDP-DG(PGJ2/18:1(11Z))
SMILES: P1(OC[C@H]2O[C@@H](N3C=CC(=NC3=O)N)[C@@H](CC=CCCCC(OC[C@@H](OC(=O)CCCCCCCCC/C=C\CCCCCC)COP(O1)(O)=O)=O)C=CC(=O)[C@@H]([C@H](O)[C@@H]2O)/C=C/[C@@H](O)CCCCC)(O)=O
Compound: CDP-DG(18:2(9Z,11Z)/20:3(8Z,11Z,14Z)-2OH(5,6))
SMILES: P(OC[C@H]1O[C@@H](N2C=CC(=NC2=O)N)[C@H](O)[C@@H]1O)(OP(OC[C@H](OC(=O)CCCC(O)C(O)C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C=C/CCCCCC)(O)=O)(O)=O
Compound: PA(20:3(8Z,11Z,14Z)-2OH(5,6)/24:1(15Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCC(O)C(O)C/C=C\C/C=C\C/C=C\CCCCC)(O)(O)=O
Compound: PGP(18:3(10,12,15)-OH(9)/i-20:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCC(O)/C=C/C=C/C/C=C/CC)(OC[C@@H](O)COP(O)(O)=O)(O)=O
Compound: PGP(PGF2alpha/22:4(7Z,10Z,13Z,16Z))
SMILES: P(OC[C@H](OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCC\C=C\C[C@@H]1[C@H]([C@H](O)C[C@@H]1O)/C=C/[C@@H](O)CCCCC)(OC[C@@H](O)COP(O)(O)=O)(O)=O
Compound: PI(16:0/22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14))
SMILES: P(OC1[C@H](O)[C@H](O)C(O)[C@H](O)[C@H]1O)(OC[C@H](OC(=O)CC/C=C\C/C=C\C\C=C/C=C/C(O)C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCCCC)(O)=O
Compound: PI(22:4(10Z,13Z,16Z,19Z)/PGF2alpha)
SMILES: P1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H]([C@@H](O)C[C@@H](O)[C@@H]([C@@H](O)[C@H]2O)/C=C/[C@@H](O)CCCCC)CC=CCCCC(O[C@@H](CO1)COC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)=O)(O)=O
Compound: PI(16:0/LTE4)
SMILES: S(C[C@H](N)C(O[C@@H](COP(OC1[C@H](O)[C@H](O)C(O)[C@H](O)[C@H]1O)(O)=O)COC(=O)CCCCCCCCCCCCCCC)=O)[C@@H]([C@@H](O)CCCC(O)=O)/C=C/C=C/C=C\C/C=C\CCCCC
Compound: PGP(22:4(7Z,10Z,13Z,16Z)/PGF2alpha)
SMILES: P(OC[C@H](OC(=O)CCC\C=C\C[C@@H]1[C@H]([C@H](O)C[C@@H]1O)/C=C/[C@@H](O)CCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(OC[C@@H](O)COP(O)(O)=O)(O)=O
Compound: CDP-DG(PGJ2/20:1(11Z))
SMILES: P1(OC[C@H]2O[C@@H](N3C=CC(=NC3=O)N)[C@@H](CC=CCCCC(OC[C@@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COP(O1)(O)=O)=O)C=CC(=O)[C@@H]([C@H](O)[C@@H]2O)/C=C/[C@@H](O)CCCCC)(O)=O
Compound: CDP-DG(PGJ2/20:2(11Z,14Z))
SMILES: P1(OC[C@H]2O[C@@H](N3C=CC(=NC3=O)N)[C@@H](CC=CCCCC(OC[C@@H](OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COP(O1)(O)=O)=O)C=CC(=O)[C@@H]([C@H](O)[C@@H]2O)/C=C/[C@@H](O)CCCCC)(O)=O
Compound: 9-(3-Imidazol-1-yl-2,6,6-trimethylcyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid
SMILES: OC(=O)\C=C(\C=C\C=C(\C=C\C=1C(CCC(N2C=CN=C2)C1C)(C)C)/C)/C
Compound: (S)-3-([1,1'-Biphenyl]-4-yl)-2-aminopropanoic acid
SMILES: OC(=O)[C@@H](N)CC1=CC=C(C=C1)C2=CC=CC=C2
Compound: PS(15:0/16:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: Cyclosquamosin F
SMILES: O=C1NC(C(=O)NC(CC(C)C)C(=O)NC(C(O)C)C(=O)NC(C(O)C)C(=O)NC(CC2=CC=C(O)C=C2)C(=O)NCC(=O)NC(C(=O)N3C1CCC3)C)C
Compound: PIP(PGF1alpha/18:0)
SMILES: P1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H]([C@@H](O)C[C@@H](O)[C@@H]([C@@H](O)[C@H]2OP(O)(O)=O)/C=C/[C@@H](O)CCCCC)CCCCCCC(OC[C@@H](OC(=O)CCCCCCCCCCCCCCCCC)CO1)=O)(O)=O
Compound: Minoxidil Glucuronide
SMILES: O1C(O[N+]=2C(N)=CC(N3CCCCC3)=NC2N)[C@H](O)[C@@H](O)[C@H](O)[C@H]1C([O-])=O
Compound: 4-O-Deacetylvinflunine
SMILES: FC(F)(C1CC2CC(C=3C=C4C56C7N(CC5)CC=CC7(C(O)C(O)(C6N(C4=CC3OC)C)C(OC)=O)CC)(C=8NC=9C(C8CN(C2)C1)=CC=CC9)C(OC)=O)C
Compound: Ciraparantag
SMILES: O=C(NCCCN1CCN(CC1)CCCNC(=O)[C@@H](N)CCCN=C(N)N)[C@@H](N)CCCN=C(N)N
Compound: PS(22:2(13Z,16Z)/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))
SMILES: P(OC[C@H](OC(=O)CCC[C@@H](O)/C=C\C=C\C=C\[C@@H](O)C/C=C\CCCCC)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: MG(20:3(6,8,11)-OH(5)/0:0/0:0)
SMILES: OC(CCCC(OC[C@@H](O)CO)=O)/C=C/C=C/C\C=C\CCCCCCCC
Compound: (all-E)-1,7,9-Heptadecatriene-11,13,15-triyne
SMILES: C(CCC=C)C/C=C/C=C/C#CC#CC#CC
Compound: PS(22:2(13Z,16Z)/16:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PC(PGF2alpha/20:3(5Z,8Z,11Z))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)COC(=O)CCC\C=C\C[C@@H]1[C@H]([C@H](O)C[C@@H]1O)/C=C/[C@@H](O)CCCCC)([O-])=O
Compound: PC(22:3(10Z,13Z,16Z)/TXB2)
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCC/C=C\C[C@H]1[C@@H](O)CC(O[C@@H]1/C=C/[C@@H](O)CCCCC)O)COC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCCC)([O-])=O
Compound: PS(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
SMILES: P(OC[C@H](OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: Vephylline
SMILES: O=C1N(C(=O)N(C=2N=CN(CCN(CCO)CCO)C21)C)C
Compound: Officinalisin II
SMILES: O1C2C(C3(C(C4C(C5(C(CC4)CC(OC6OC(C(OC7OCC(O)C(O)C7O)C(O)C6OC8OC(C(O)C(O)C8O)CO)CO)CC5)C)CC3)C2)C)C(C1(O)CCC(COC9OC(C(O)C(O)C9O)CO)C)C
Compound: Notoginsenoside K
SMILES: O[C@H]1[C@H]2[C@]([C@]3([C@@H]([C@@]4([C@@H](CC3)C([C@@H](O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO)CC4)(C)C)C)C1)C)(CC[C@@H]2[C@@](O[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)CO)(CCC=C(C)C)C)C
Compound: M-Secociguatoxin 4A
SMILES: O1C2C(OC3C(OC4C(OC5(C(OC6C(OC7C(OC8C(OC9CC%10OC%11C(OC(C=CC%11)/C=C\C=C)C(O)C%10OC9C=C8)C=C7)CC=CC6)CC5O)C4)C)CC(C3)C)C2)C(C(O)C%12OC(O)(C(C(C1%12)C)C)CCCO)C
Compound: Alfaprostolum
SMILES: O[C@@H]1[C@@H]([C@H]([C@H](O)C1)C#C[C@@H](O)CCC2CCCCC2)C/C=C\CCCC(OC)=O
Compound: PE(18:1(11Z)/6 keto-PGF1alpha)
SMILES: P(OC[C@H](OC(=O)CCCCC(=O)C[C@@H]1[C@H]([C@H](O)C[C@@H]1O)/C=C/[C@@H](O)CCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC)(OCCN)(O)=O
Compound: Cer(d16:1/5-iso PGF2VI)
SMILES: O[C@@H]1[C@H]([C@H]([C@H](O)C1)/C=C/[C@H](O)CCCCC)C/C=C\CC(=O)N[C@H]([C@H](O)/C=C/CCCCCCCCCCC)CO
Compound: Amafolone
SMILES: O[C@H]1C[C@@]2([C@@H]3[C@H]([C@H]4[C@](CC3)(C(=O)CC4)C)CC[C@H]2C[C@@H]1N)C
Compound: Kuguacin C
SMILES: O=C1[C@H]2[C@]3([C@@]([C@H](CC3)[C@@H](CC(=O)C)C)(CC[C@]2([C@H]4C(C([C@@H](O)CC4)(C)C)=C1)C)C)C
Compound: DG(15:0/0:0/20:3(5Z,8Z,11Z)-O(14R,15S))
SMILES: O1C(C1C/C=C\C/C=C\C/C=C\CCCC(OC[C@H](O)COC(=O)CCCCCCCCCCCCCC)=O)CCCCC
Compound: DG(20:0/PGF1alpha/0:0)
SMILES: O[C@@H]1[C@@H]([C@H]([C@H](O)C1)/C=C/[C@@H](O)CCCCC)CCCCCCC(O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC)CO)=O
Compound: PG(20:4(6Z,8E,10E,14Z)-2OH(5S,12R)/a-25:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCCC(CC)C)COC(=O)CCC[C@H](O)/C=C\C=C\C=C\[C@H](O)C/C=C\CCCCC)(OC[C@@H](O)CO)(O)=O
Compound: Carvyl acetate
SMILES: O(C1CC(CC=C1C)C(C)=C)C(=O)C
Compound: N-Eicosapentaenoyl Tyrosine
SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)CCC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CC
Compound: Cholylvaline
SMILES: OC1C2(C(C3C(C4(C(CC3O)CC(O)CC4)C)C1)CCC2C(CCC(=O)NC(C(C)C)C(O)=O)C)C
Compound: 4-(2-Methylphenyl)butan-1-ol
SMILES: OCCCCC=1C(=CC=CC1)C
Compound: Ethyl lysine
SMILES: OC(=O)[C@@H](NCC)CCCCN
Compound: 7-Ethyl-5,6-dihydro-1,4-dimethylazulene
SMILES: C1CC(=CC=2C(=C1C)C=CC2C)CC
Compound: PC(20:4(5Z,8Z,11Z,14Z)/PGD1)
SMILES: P(OC[C@H](OC(=O)CCCCCC[C@@H]1[C@H](C(=O)C[C@@H]1O)/C=C/[C@@H](O)CCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(OCC[N+](C)(C)C)([O-])=O
Compound: Acrylamide-sodium acrylate resin
SMILES: O=C(N)C(CC(C)C(O)=O)CC
Compound: Demethoxyrapamycin
SMILES: O(C1CC(CCC1O)CC(C2OC(=O)C3N(CCCC3)C(=O)C(=O)C4(OC(CCC4C)CC(OC)C(C)=CC=CC=CC(CC(C(=O)CC(O)C(=CC(C(=O)C2)C)C)C)C)O)C)C
Compound: 1-(11-(Dodecylamino)-10-hydroxyundecyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione
SMILES: OC(CCCCCCCCCN1C(=O)C=2N(C=NC2N(C1=O)C)C)CNCCCCCCCCCCCC
Compound: PS(16:0/18:3(9Z,12Z,15Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: (Z)-7-[(1R,3S,4S,5R)-3-[(E,3R)-3-Hydroxyoct-1-enyl]-6-thiabicyclo[3.1.1]heptan-4-yl]hept-5-enoic acid
SMILES: S1C2C(C(CC1C2)/C=C/C(O)CCCCC)C/C=C/CCCC(O)=O
Compound: PE(PGF2alpha/22:5(4Z,7Z,10Z,13Z,16Z))
SMILES: P(OC[C@H](OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCC\C=C\C[C@@H]1[C@H]([C@H](O)C[C@@H]1O)/C=C/[C@@H](O)CCCCC)(OCCN)(O)=O
Compound: PS(14:0/22:1(13Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: Russelioside B
SMILES: OC12C(C(CC1)C(OC3OC(C(O)C(O)C3O)CO)C)(CCC4C2CC=C5C4(CCC(OC6OC(C(OC7OC(C(O)C(O)C7O)CO)C(OC)C6O)C)C5)C)C
Compound: PA(a-25:0/PGF1alpha)
SMILES: P(OC[C@H](OC(=O)CCCCCC[C@@H]1[C@H]([C@H](O)C[C@@H]1O)/C=C/[C@@H](O)CCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC(CC)C)(O)(O)=O
Compound: cis-2,8-Menthadien-2-ol
SMILES: OC=1C(CCC(C1)C(C)=C)C
Compound: SM(d19:1/PGF1alpha)
SMILES: P(OC[C@H](NC(=O)CCCCCC[C@@H]1[C@H]([C@H](O)C[C@@H]1O)/C=C/[C@@H](O)CCCCC)[C@H](O)/C=C/CCCCCCCCCCCCCC)(OCC[N+](C)(C)C)([O-])=O
Compound: (1R,9R,13R)-1,13-Dimethyl-10-[[(2R)-oxolan-2-yl]methyl]-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
SMILES: O1C(CN2C3C(C(CC2)(C4=C(C3)C=CC(O)=C4)C)C)CCC1
Compound: 2-(3,4-Dimethoxyphenyl)-3-fluoroallylamine
SMILES: F/C=C(\C1=CC(OC)=C(OC)C=C1)/CN
Compound: 1,4,10,13-Tetraoxa-7,16-diazacyclooctadecane
SMILES: O1CCNCCOCCOCCNCCOCC1
Compound: PE-NMe(22:5(7Z,10Z,13Z,16Z,19Z)/20:1(11Z))
SMILES: P(OCC(OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(OCCNC)(O)=O
Compound: Trigofoenoside F
SMILES: O1C2C(C3(C(C4C(CC3)C5(C(=CC4)CC(OC6OC(C(O)C(O)C6O)COC7OC(C(O)C(O)C7OC8OC(C(O)C(O)C8O)C)CO)CC5)C)C2)C)C(C1(O)CCC(COC9OC(C(O)C(O)C9O)CO)C)C
Compound: 5-[(3As,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N'-propylpentanehydrazide
SMILES: S1C(C2NC(=O)NC2C1)CCCCC(=O)NNCCC
Compound: Hydroperoxyurea
SMILES: O(O)NC(=O)N
Compound: 3b-hydroxy-estra-5,7,9-trien-17-one
SMILES: O=C1[C@@]2([C@@H](CC1)C3=C(CC2)C4=C(CC(O)CC4)C=C3)C
Compound: SM(d16:1/PGF1alpha)
SMILES: P(OC[C@H](NC(=O)CCCCCC[C@@H]1[C@H]([C@H](O)C[C@@H]1O)/C=C/[C@@H](O)CCCCC)[C@H](O)/C=C/CCCCCCCCCCC)(OCC[N+](C)(C)C)([O-])=O
Compound: PE(PGJ2/18:2(9Z,12Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCC/C=C\C[C@@H]1[C@H](C(=O)C=C1)/C=C/[C@@H](O)CCCCC)(OCCN)(O)=O
Compound: (R)-Butaprost
SMILES: O[C@@H](C1(CCC1)CCC)C/C=C/[C@@H]2[C@@H](CCCCCCC(OC)=O)C(=O)C[C@H]2O
Compound: Iodofiltic Acid
SMILES: IC1=CC=C(CCCCCCCCCCCCC(CC(O)=O)C)C=C1
Compound: DG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)
SMILES: O(C(=O)CCCCCCCCCCC/C=C\CCCCCCCC)C[C@@H](OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)CO
Compound: N-Eicosapentaenoyl Histidine
SMILES: O=C(NC(CC=1NC=NC1)C(O)=O)CCC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CC
Compound: MG(0:0/20:3(8Z,11Z,14Z)/0:0)
SMILES: O(C(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)C(CO)CO
Compound: AmBiosone
SMILES: O1[C@@]2(O)C[C@H](O)[C@H]([C@@H]1C[C@@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](N)[C@@H]3O)C)C=CC=CC=CC=CC=CC=CC=C[C@@H]([C@@H](O)[C@@H]([C@@H](OC(=O)C[C@H](O)C[C@H](O)[C@@H](O)CC[C@H](O)C[C@H](O)C2)C)C)C)C(O)=O
Compound: CDP-DG(PGE2/20:2(11Z,14Z))
SMILES: P1(OC[C@H]2O[C@@H](N3C=CC(=NC3=O)N)[C@H](C(=O)C[C@@H](O)[C@@H]([C@H](O)[C@@H]2O)/C=C/[C@@H](O)CCCCC)CC=CCCCC(OC[C@@H](OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COP(O1)(O)=O)=O)(O)=O
Compound: Cholylhistidine
SMILES: OC1C2(C(C3C(C4(C(CC3O)CC(O)CC4)C)C1)CCC2C(CCC(=O)NC(CC=5NC=NC5)C(O)=O)C)C
Compound: (3b,5a,22x,25S)-Furostane-22-methoxy-3,26-diol 3-[rhamnosyl-(1->2)-[glucosyl-(1->3)]-glucoside] 26-glucoside
SMILES: O1C2C(C3(C(C4C(C5(C(CC4)CC(OC6OC(C(O)C(OC7OC(C(O)C(O)C7O)CO)C6OC8OC(C(O)C(O)C8O)C)CO)CC5)C)CC3)C2)C)C(C1(OC)CCC(COC9OC(C(O)C(O)C9O)CO)C)C
Compound: PS(20:1(11Z)/22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7))
SMILES: P(OC[C@H](OC(=O)CC/C=C\CC(O)\C=C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: SM(d18:1/6 keto-PGF1alpha)
SMILES: P(OC[C@H](NC(=O)CCCCC(=O)C[C@@H]1[C@H]([C@H](O)C[C@@H]1O)/C=C/[C@@H](O)CCCCC)[C@H](O)/C=C/CCCCCCCCCCCCC)(OCC[N+](C)(C)C)([O-])=O
Compound: PS(24:0/PGF2alpha)
SMILES: P(OC[C@H](OC(=O)CCC\C=C\C[C@@H]1[C@H]([C@H](O)C[C@@H]1O)/C=C/[C@@H](O)CCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: (4Z,7Z,10Z,13Z,15E,19Z)-17-Hydroxydocosa-4,7,10,13,15,19-hexaenoylcarnitine
SMILES: O(C(C[N+](C)(C)C)CC([O-])=O)C(=O)CC/C=C/C/C=C/C/C=C/C\C=C\C=C\C(O)C/C=C/CC
Compound: PI(16:2(9Z,12Z)/PGF1alpha)
SMILES: P1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H]([C@@H](O)C[C@@H](O)[C@@H]([C@@H](O)[C@H]2O)/C=C/[C@@H](O)CCCCC)CCCCCCC(O[C@@H](CO1)COC(=O)CCCCCCC/C=C\C/C=C\CCC)=O)(O)=O
Compound: PS(20:2(11Z,14Z)/LTE4)
SMILES: S([C@@H]([C@@H](O)CCCC(O)=O)/C=C/C=C/C=C\C/C=C\CCCCC)C[C@H](N)C(O[C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COP(OC[C@H](N)C(O)=O)(O)=O)=O
Compound: PS(22:1(13Z)/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17))
SMILES: P(OC[C@H](OC(=O)CC/C=C\C/C=C\C[C@@H](O)/C=C/C=C\C=C\[C@@H](O)C/C=C\CC)COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: 8-(1,1-dimethylallyl)-3-methylgalangin
SMILES: COc1c(oc2c(c(O)cc(O)c2c1=O)C(C)(C)C=C)-c1ccccc1
Compound: PI(22:4(10Z,13Z,16Z,19Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))
SMILES: P(OC1[C@H](O)[C@@H](O)C(O)[C@@H](O)[C@H]1O)(OC[C@H](OC(=O)CCC/C=C\[C@@H](O)/C=C/C=C\C/C=C\C=C\[C@@H](O)C/C=C\CC)COC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)(O)=O
Compound: DG(16:1n7/0:0/18:3n3)
SMILES: O(C(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)C[C@H](O)COC(=O)CCCCC/C=C\CCCCCCCC
Compound: PE(22:2(13Z,16Z)/PGF1alpha)
SMILES: P(OC[C@H](OC(=O)CCCCCC[C@@H]1[C@H]([C@H](O)C[C@@H]1O)/C=C/[C@@H](O)CCCCC)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: 7-Hydroxyhexadecanoic acid
SMILES: OC(CCCCCCCCC)CCCCCC(O)=O
Compound: DG(10:0/LTE4/0:0)
SMILES: S([C@@H]([C@@H](O)CCCC(O)=O)/C=C/C=C/C=C\C/C=C\CCCCC)C[C@H](N)C(O[C@H](COC(=O)CCCCCCCCC)CO)=O
Compound: 11-((2-Dimethylaminoethyl)oxymethyl)erythromycin A 9-methoxime
SMILES: O(C1C(C(OC2OC(C(O)C(OC)(C2)C)C)C(C(OC(C(O)(C(OCOCCN(C)C)C(C(=NOC)C(CC1(O)C)C)C)C)CC)=O)C)C)C3OC(CC(N(C)C)C3O)C
Compound: 2-Amino-3-cyclohexylpropanoic acid
SMILES: OC(=O)C(N)CC1CCCCC1
Compound: N-Nervonoyl Tyrosine
SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)CCCCCCCCCCCCC/C=C/CCCCCCCC
Compound: 4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate
SMILES: P(OP(O)(O)=O)(O)(O)=O.OCC=1C(=NC(=NC1)C)N
Compound: PC(20:0/PGJ2)
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCC/C=C\C[C@@H]1[C@H](C(=O)C=C1)/C=C/[C@@H](O)CCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC)([O-])=O
Compound: (2S,3S,4S,5R)-3,4,5-Trihydroxy-6-(5-methyl-2-propan-2-ylphenoxy)oxane-2-carboxylic acid
SMILES: O1C(OC2=C(C(C)C)C=CC(=C2)C)C(O)C(O)C(O)C1C(O)=O
Compound: Deoxycholyllysine
SMILES: OC1C2(C(C3C(C4(C(CC3)CC(O)CC4)C)C1)CCC2C(CCC(=O)NC(CCCCN)C(O)=O)C)C
Compound: Latanoprost-d4
SMILES: O[C@H]1[C@@H]([C@H]([C@@H](O)C1)C/C=C\C(C(CC(OC(C)C)=O)([2H])[2H])([2H])[2H])CC[C@@H](O)CCC2=CC=CC=C2
Compound: PS(20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z))
SMILES: P(OC[C@H](OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: Hexadeca-7,10,13-trienoic acid
SMILES: OC(=O)CCCCCC=CCC=CCC=CCC
Compound: Cer(d17:1/20:4(6E,8Z,11Z,13E)-2OH(5S,15S))
SMILES: O[C@@H]([C@@H](NC(=O)CCC[C@H](O)/C=C/C=C\C/C=C\C=C\[C@H](O)CCCCC)CO)\C=C\CCCCCCCCCCCC
Compound: PIP(TXB2/22:2(13Z,16Z))
SMILES: P1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H]([C@@H](O)CC(O[C@@H]([C@@H](O)[C@H]2OP(O)(O)=O)/C=C/[C@@H](O)CCCCC)O)CC=CCCCC(OC[C@@H](OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)CO1)=O)(O)=O
Compound: PS(24:0/PGF1alpha)
SMILES: P(OC[C@H](OC(=O)CCCCCC[C@@H]1[C@H]([C@H](O)C[C@@H]1O)/C=C/[C@@H](O)CCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PC(24:0/TXB2)
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCC/C=C\C[C@H]1[C@@H](O)CC(O[C@@H]1/C=C/[C@@H](O)CCCCC)O)COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)([O-])=O
Compound: CDP-DG(a-21:0/18:1(12Z)-2OH(9,10))
SMILES: P(OC[C@H]1O[C@@H](N2C=CC(=NC2=O)N)[C@H](O)[C@@H]1O)(OP(OC[C@H](OC(=O)CCCCCCC[C@H](O)[C@@H](O)C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCCC(CC)C)(O)=O)(O)=O
Compound: CE(LTE4)
SMILES: S(C[C@H](N)C(O[C@@H]1CC=2[C@@]([C@@H]3[C@H]([C@H]4[C@@]([C@H](CC4)[C@@H](CCCC(C)C)C)(CC3)C)CC2)(CC1)C)=O)[C@@H]([C@@H](O)CCCC(O)=O)/C=C/C=C/C=C\C/C=C\CCCCC
Compound: PI(6 keto-PGF1alpha/22:2(13Z,16Z))
SMILES: P1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H]([C@@H](O)C[C@@H](O)[C@@H]([C@@H](O)[C@H]2O)/C=C/[C@@H](O)CCCCC)CC(=O)CCCCC(OC[C@@H](OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)CO1)=O)(O)=O
Compound: PI(22:3(10Z,13Z,16Z)/TXB2)
SMILES: P1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H]([C@@H](O)CC(O[C@@H]([C@@H](O)[C@H]2O)C=C[C@@H](O)CCCCC)O)CC=CCCCC(O[C@@H](CO1)COC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCCC)=O)(O)=O
Compound: Soyasaponin bg
SMILES: O(C1C(C2C(C3C(C4(C(C5C(CC4)(C(OC6OC(=C(O)C(=O)C6)C)CC(C5)(C)C)C)=CC3)C)(CC2)C)(CC1)C)(CO)C)C7OC(C(O)C(O)C7OC8OC(C(O)C(O)C8OC9OC(C(O)C(O)C9O)C)CO)C(O)=O
Compound: [2-Amino-2-(hydroxymethyl)-5-(4-octylphenyl)pentyl] dihydrogen phosphate
SMILES: P(OCC(N)(CCCC1=CC=C(CCCCCCCC)C=C1)CO)(O)(O)=O
Compound: 5-Ethyl-4-methyl-2-octylthiazole
SMILES: S1C(=NC(=C1CC)C)CCCCCCCC
Compound: Cimiaserin B
SMILES: O1C2C(C3(C(C4C5(C6(C5)C(CC4)C(C(O)CC6)(C)C)CC3)(C2)C)C)C(C7OC(C(O)C17O)(C)C)C
Compound: PI(16:1(9Z)/PGF1alpha)
SMILES: P1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H]([C@@H](O)C[C@@H](O)[C@@H]([C@@H](O)[C@H]2O)/C=C/[C@@H](O)CCCCC)CCCCCCC(O[C@@H](CO1)COC(=O)CCCCCCC/C=C\CCCCCC)=O)(O)=O
Compound: Cholesta-5,7,9(11)-trien-3beta-ol
SMILES: O[C@@H]1CC=2[C@@](C=3C([C@H]4[C@@]([C@H](CC4)[C@@H](CCCC(C)C)C)(CC3)C)=CC2)(CC1)C
Compound: (-)-Farnesiferol C
SMILES: O1C2(C(C(C1CC2)(C)C)CC/C(/C)=C\COC3=CC=4OC(=O)C=CC4C=C3)C
Compound: PE(24:0/PGF1alpha)
SMILES: P(OC[C@H](OC(=O)CCCCCC[C@@H]1[C@H]([C@H](O)C[C@@H]1O)/C=C/[C@@H](O)CCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: n-propyl-l-arginine
SMILES: OC(=O)[C@@H](NCCC)CCCN=C(N)N
Compound: beta-Calacorene
SMILES: C1(C(C)C)CCC(C2=C1C=C(C=C2)C)=C
Compound: Soyasaponin beta-A
SMILES: O(C1C(C2C(C3C(C4(C(C5C(CC4)(C(OC6OC(=C(O)C(=O)C6)C)CC(C5)(C)C)C)=CC3)C)(CC2)C)(CC1)C)(CO)C)C7OC(C(O)C(O)C7OC8OCC(O)C(O)C8OC9OC(C(O)C(O)C9O)C)C(O)=O
Compound: PA(10:0/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))
SMILES: P(OC[C@H](OC(=O)CCC/C=C\[C@@H](O)/C=C/C=C\C/C=C\C=C\[C@@H](O)C/C=C\CC)COC(=O)CCCCCCCCC)(O)(O)=O
Compound: Cyclosquamosin B
SMILES: S(CC[C@@H]1NC(=O)[C@@H](NC(=O)CN(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(CCC2)C(=O)[C@H]3N(CCC3)C(=O)[C@@H](NC1=O)CCC(=O)N)[C@@H](CC)C)[C@@H](O)C)C)CC(C)C)C
Compound: Matesaponin 4
SMILES: O([C@@H]1C([C@H]2[C@@]([C@@H]3[C@]([C@]4(C([C@H]5[C@@](CC4)(CC[C@H]([C@@H]5C)C)C(O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)CO)=O)=CC3)C)(CC2)C)(CC1)C)(C)C)[C@@H]8OC[C@H](O)[C@H](O[C@@H]9O[C@@H]([C@@H](O)[C@H](O)[C@H]9O)CO)[C@H]8O[C@@H]%10O[C@H]([C@H](O)[C@@H](O)[C@H]%10O)C
Compound: 3beta-{O-D-Glucopyranosyl-(1_2)-[O-alpha-L-arabinopyranosyl(1_6)]beta-D-glucopyranosyloxy}-machaerinic acid _-lactone
SMILES: O1[C@H]2C[C@]3([C@@H](C=4[C@]([C@]5([C@@H]([C@@]6([C@@H](CC5)C([C@@H](O[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O[C@@H]8O[C@@H]([C@@H](O)[C@H](O)[C@H]8O)CO)CO[C@@H]9OC[C@H](O)[C@H](O)[C@H]9O)CC6)(C)C)C)CC4)C)(CC3)C)CC2(C)C)C1=O
Compound: Pitheduloside F
SMILES: O(C1C(C2C(C3C(C4(C(C5C(CC4)(CCC(C5)(C)C)C(O)=O)=CC3)C)(CC2)C)(CC1)C)(C)C)C6OC(C(O)C(O)C6OC7OC(C(O)C(O)C7O)CO)COC8OCC(O)C(O)C8OC9OCC(O)C(O)C9O
Compound: Mepartricin
SMILES: O1C2C(C(O)CC1(O)CC(O)CC(O)CC(O)CC(O)CC(=O)CC(O)CC(OC(C(CCC(O)CC(=O)C3=CC=C(NC)C=C3)C)C(C)C=CC=CC=CC=CC=CC=CC=CCC2OC4O[C@@H]([C@@H](O)[C@H](N)[C@@H]4O)C)=O)C(OC)=O
Compound: Eicosapentaenoylcholine
SMILES: O(CC[N+](C)(C)C)C(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: PC(P-18:1(11Z)/20:5(5Z,8Z,11Z,14Z,16E)-OH(18))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C=C\CC(O)/C=C\CC)CO\C=C\CCCCCCCC/C=C\CCCCCC)([O-])=O
Compound: 2-[[3-Cyclohexyl-1-[2-[3-(diaminomethylideneamino)propylcarbamoyl]piperidin-1-yl]-1-oxopropan-2-yl]amino]acetic acid
SMILES: O=C(N1C(CCCC1)C(=O)NCCCN=C(N)N)C(NCC(O)=O)CC2CCCCC2
Compound: verrucarin A
SMILES: [H][C@]12C[C@H]3OC(=O)\C=C/C=C/C(=O)OCC[C@@H](C)[C@H](O)C(=O)OC[C@@]4(CCC(C)=C[C@@]4([H])O1)[C@]3(C)[C@]21CO1
Compound: PI(16:1(9Z)/TXB2)
SMILES: P1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H]([C@@H](O)CC(O[C@@H]([C@@H](O)[C@H]2O)C=C[C@@H](O)CCCCC)O)CC=CCCCC(O[C@@H](CO1)COC(=O)CCCCCCC/C=C\CCCCCC)=O)(O)=O
Compound: 2-Pyrazinoylguanidine
SMILES: O=C(N=C(N)N)C1=NC=CN=C1
Compound: serofendic acid
SMILES: S(=O)(C[C@H]1[C@@H]2C[C@@H]3[C@@]([C@@H]1O)(CC[C@H]4[C@]3(CCC[C@@]4(C)C(O)=O)C)CC2)C
Compound: 4'',5''-Dihydro-3,5,3',4'-tetrahydroxy-4'',6'',6''-trimethylpyrano[2,3:7,8]flavone
SMILES: O1C(CC(C2=C1C=C(O)C3=C2OC(=C(O)C3=O)C4=CC(O)=C(O)C=C4)C)(C)C
Compound: Hydroxyethyl myristyl oxyhydroxypropyl decanamide
SMILES: O(CCCCCCCCCCCCCC)CC(O)CN(C(=O)CCCCCCCCC)CCO
Compound: Soyasaponin gamma-A
SMILES: O(C1C(C2C(C3C(C4(C(C5C(CC4)(C(OC6OC(=C(O)C(=O)C6)C)CC(C5)(C)C)C)=CC3)C)(CC2)C)(CC1)C)(CO)C)C7OC(C(O)C(O)C7OC8OCC(O)C(O)C8O)C(O)=O
Compound: PS(24:1(15Z)/22:4(7Z,10Z,13Z,16Z))
SMILES: P(OC[C@H](OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: 2-(3,6,9-Trihydroxy-4-amino-9H-xanthene-9-yl)benzoic acid gamma-lactone
SMILES: O1C2(C=3C(C1=O)=CC=CC3)C4=C(OC5=C2C=CC(O)=C5)C(N)=C(O)C=C4
Compound: (4E,7E,10E,13E)-Hexadeca-4,7,10,13-tetraenoic acid
SMILES: OC(=O)CC/C=C/C/C=C/C/C=C/C/C=C/CC
Compound: epsilon-(Hexanoyl)lysine
SMILES: O=C(C(N)CCC[C@H](N)C(O)=O)CCCCC
Compound: 2-[(1E,3E,5E)-3,7-Dimethylnona-1,3,5,8-tetraenyl]-1,3,3-trimethylcyclohexene
SMILES: C1(CCCC(=C1/C=C/C(/C)=C/C=C/C(C)C=C)C)(C)C
Compound: Cumi-101
SMILES: O(C=1C(N2CCN(CC2)CCCCN3N=CC(=O)N(C3=O)C)=CC=CC1)C
Compound: 2,6-Dimethylbenzenethiol
SMILES: SC1=C(C=CC=C1C)C
Compound: N-Myristoyl Arginine
SMILES: O=C(NC(CCCN=C(N)N)C(O)=O)CCCCCCCCCCCCC
Compound: PC(17:0/PGF1alpha)
SMILES: P(OC[C@H](OC(=O)CCCCCC[C@@H]1[C@H]([C@H](O)C[C@@H]1O)/C=C/[C@@H](O)CCCCC)COC(=O)CCCCCCCCCCCCCCCC)(OCC[N+](C)(C)C)([O-])=O
Compound: 3alpha,7alpha,12alpha,25-Tetrahydroxy-5beta-cholestane-24-one
SMILES: O[C@H]1[C@]2([C@@H]([C@@H]3[C@H]([C@]4([C@@H](C[C@@H]3O)C[C@@H](O)CC4)C)C1)CC[C@@H]2[C@@H](CCC(=O)C(O)(C)C)C)C
Compound: PE(PGF1alpha/18:2(9Z,12Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCC[C@@H]1[C@H]([C@H](O)C[C@@H]1O)/C=C/[C@@H](O)CCCCC)(OCCN)(O)=O
Compound: Solithromycin
SMILES: F[C@]1(C(=O)[C@@H]([C@@H](O[C@@H]2O[C@@H](C[C@H](N(C)C)[C@H]2O)C)[C@](OC)(C[C@H](C(=O)[C@@H]([C@H]3N(C(O[C@@]3([C@H](OC1=O)CC)C)=O)CCCCN4N=NC(=C4)C5=CC(N)=CC=C5)C)C)C)C)C
Compound: Nona-3,5,7-trienedioylcarnitine
SMILES: O(C(C[N+](C)(C)C)CC([O-])=O)C(=O)C/C=C/C=C/C=C/C(O)=O
Compound: (3b,6a,12b,17a,20S)-Dammar-24-ene-3,6,12,17,20-pentol 20-[glucosyl-(1->2)-glucoside] 6-xyloside
SMILES: O(C1C2C(C3C(C4(C(C(O)(CC4)C(OC5OC(C(O)C(O)C5OC6OC(C(O)C(O)C6O)CO)CO)(CCC=C(C)C)C)C(O)C3)C)(C1)C)(CCC(O)C2(C)C)C)C7OCC(O)C(O)C7O
Compound: PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/15:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(OCCN)(O)=O
Compound: PI(22:3(10Z,13Z,16Z)/PGE1)
SMILES: P1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CCCCCCC(O[C@@H](CO1)COC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCCC)=O)C(=O)C[C@@H](O)[C@@H]([C@@H](O)[C@H]2O)/C=C/[C@@H](O)CCCCC)(O)=O
Compound: Laurocapram
SMILES: O=C1N(CCCCCCCCCCCC)CCCCC1
Compound: Cer(d18:2(4E,14Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))
SMILES: O[C@@H]([C@@H](NC(=O)CCC[C@@H](O)[C@H](O)/C=C\C=C/C=C/C=C/[C@@H](O)C/C=C\CC)CO)\C=C\CCCCCCCC/C=C\CCC
Compound: PI(17:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
SMILES: P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCCCCC)(O)=O
Compound: PG(LTE4/a-21:0)
SMILES: S([C@@H]([C@@H](O)CCCC(O)=O)/C=C/C=C/C=C\C/C=C\CCCCC)C[C@H](N)C(OC[C@@H](OC(=O)CCCCCCCCCCCCCCCCC(CC)C)COP(OC[C@@H](O)CO)(O)=O)=O
Compound: PI(22:4(10Z,13Z,16Z,19Z)/PGF1alpha)
SMILES: P1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H]([C@@H](O)C[C@@H](O)[C@@H]([C@@H](O)[C@H]2O)/C=C/[C@@H](O)CCCCC)CCCCCCC(O[C@@H](CO1)COC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)=O)(O)=O
Compound: 3,5,3',5'-Tetra-tert-butyldiphenoquinone
SMILES: O=C1C(C(C)(C)C)=CC(=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)C=C1C(C)(C)C
Compound: Methyl hexyl(2-(hexylamino)ethyl)carbamate
SMILES: O(C(=O)N(CCCCCC)CCNCCCCCC)C
Compound: PI(TXB2/22:3(10Z,13Z,16Z))
SMILES: P1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H]([C@@H](O)CC(O[C@@H]([C@@H](O)[C@H]2O)C=C[C@@H](O)CCCCC)O)CC=CCCCC(OC[C@@H](OC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCCC)CO1)=O)(O)=O
Compound: Acrip
SMILES: OC(C(NC(=O)C(NC(=O)C(NC(=O)C1N(CCC1)C(=O)C(NC(=O)CC(C)C)CC=2NC=NC2)CC3=CC=CC=C3)CC=4NC=CN4)CC5CCCCC5)CC(=O)NC(CC(C)C)C(=O)NC(CC6=CC=CC=C6)C(=O)N
Compound: (E)-2-(2-Octenyl)cyclopentanone
SMILES: O=C1C(CCC1)C/C=C/CCCCC
Compound: PI(18:0/PGF2alpha)
SMILES: P1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H]([C@@H](O)C[C@@H](O)[C@@H]([C@@H](O)[C@H]2O)/C=C\[C@@H](O)CCCCC)CC=CCCCC(O[C@@H](CO1)COC(=O)CCCCCCCCCCCCCCCCC)=O)(O)=O
Compound: PE(24:0/LTE4)
SMILES: S([C@@H]([C@@H](O)CCCC(O)=O)/C=C/C=C/C=C\C/C=C\CCCCC)C[C@H](N)C(O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)COP(OCCN)(O)=O)=O
Compound: PE(6 keto-PGF1alpha/P-18:1(11Z))
SMILES: P(OC[C@H](O/C=C/CCCCCCCC/C=C\CCCCCC)COC(=O)CCCCC(=O)C[C@@H]1[C@H]([C@H](O)C[C@@H]1O)/C=C/[C@@H](O)CCCCC)(OCCN)(O)=O
Compound: 2-Hydroxy-4-[(1R)-1-hydroxy-8-methyl-6-oxononyl]-3-methyl-2H-furan-5-one
SMILES: O1C(O)C(=C(C(O)CCCCC(=O)CC(C)C)C1=O)C
Compound: Desmethyltetrahydropiperine sulfate
SMILES: S(OC=1C=C(CCCCC(=O)N2CCCCC2)C=CC1O)(O)(=O)=O
Compound: PE(P-16:0/LTE4)
SMILES: S([C@@H]([C@@H](O)CCCC(O)=O)/C=C/C=C/C=C\C/C=C\CCCCC)C[C@H](N)C(O[C@H](CO\C=C\CCCCCCCCCCCCCC)COP(OCCN)(O)=O)=O
Compound: 1-methoxycyclohexene
SMILES: O(C=1CCCCC1)C
Compound: 1,25-Dihydroxy-16-ene-vitamin D3
SMILES: OC(CCC[C@H](C=1[C@@]2([C@@H](CC1)/C(/CCC2)=C/CC3C([C@H](O)CC(O)=C3)=C)C)C)(C)C
Compound: 5-(10,13-Nonadecadienyl)-1,3-benzenediol
SMILES: OC1=CC(CCCCCCCCC/C=C/C\C=C\CCCCC)=CC(O)=C1
Compound: N-Eicosapentaenoyl Alanine
SMILES: O=C(NC(C)C(O)=O)CCC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CC
Compound: PA(24:0/20:3(6,8,11)-OH(5))
SMILES: P(OC[C@H](OC(=O)CCCC(O)/C=C/C=C/C\C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(O)(O)=O
Compound: PC(18:4(6Z,9Z,12Z,15Z)/PGF1alpha)
SMILES: P(OC[C@H](OC(=O)CCCCCC[C@@H]1[C@H]([C@H](O)C[C@@H]1O)/C=C/[C@@H](O)CCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)(OCC[N+](C)(C)C)([O-])=O
Compound: Arg-Thr-Lys-Arg
SMILES: OC(C(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(CCCN=C(N)N)C(O)=O)C
Compound: PC(DiMe(13,5)/PGE2)
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCC/C=C\C[C@@H]1[C@H]([C@H](O)CC1=O)/C=C/[C@@H](O)CCCCC)COC(=O)CCCCCCCCCCCCC=2OC(=C(C2C)C)CCCCC)([O-])=O
Compound: (-)-Huperzine A (HupA)
SMILES: O=C1NC2=C([C@]3(N)/C(/[C@H](C2)C=C(C3)C)=C\C)C=C1
Compound: AUDA
SMILES: O=C(NC12CC3CC(C1)CC(C2)C3)NCCCCCCCCCCCC(O)=O
Compound: Ataprost
SMILES: O[C@H]1[C@@H]([C@@H]2[C@H](C1)C\C(\C2)=C/CCCC(O)=O)/C=C/[C@@H](O)C3CCCC3
Compound: N-[Bis(3-aminopropyl)amino]-N-hydroxynitrous amide
SMILES: [O-]/[N+](/N(CCCN)CCCN)=N\O
Compound: Trigofoenoside C
SMILES: O1C2C(C3(C(C4C(C5(C(CC4)CC(OC6OC(C(OC7OC(C(O)C(O)C7O)C)C(O)C6OC8OC(C(O)C(O)C8O)C)CO)C(O)C5)C)CC3)C2)C)C(C1(O)CCC(COC9OC(C(O)C(O)C9O)CO)C)C
Compound: 4-Methyl-1-pentene
SMILES: C(CC=C)(C)C
Compound: 2-Aminoethyl oleate
SMILES: O(C(=O)CCCCCCC/C=C\CCCCCCCC)CCN
Compound: Cyclo(glycylleucylvalylleucylprolylseryl)
SMILES: O=C1N2C(CCC2)C(=O)NC(CO)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(C(=O)NC1CC(C)C)C(C)C
Compound: Ocotillol
SMILES: O1C(C2C3C(C4(C(C5(C(CC4)C(C(O)CC5)(C)C)C)CC3)C)(CC2)C)(CCC1C(O)(C)C)C
Compound: 3,4-Dihydroxy-2-methoxy-4-methyl-3-[2-methyl-3-(3-methyl-but-2-enyl)-oxiranyl]-cyclohexanone
SMILES: O1C(C2(O)C(O)(CCC(=O)C2OC)C)(C1CC=C(C)C)C
Compound: 8-(1,1-dimethylallyl)galangin
SMILES: CC(C)(C=C)c1c(O)cc(O)c2c1oc(-c1ccccc1)c(O)c2=O
Compound: Trihexosylceramide (d18:1/16:0)
SMILES: O1C(OC2C(O)C(O)C(OC2CO)OCC(NC(=O)CCCCCCCCCCCCCCC)C(O)/C=C/CCCCCCCCCCCCC)C(O)C(O)C(OC3OC(C(O)C(O)C3O)CO)C1CO
Compound: H-Val-pro-asn-leu-pro-gln-arg-phe-NH2
SMILES: O=C(N1[C@@H](CCC1)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]3N(CCC3)C(=O)[C@@H](N)C(C)C)CC(=O)N)CC(C)C
Compound: N-Dodecylsarcosinate
SMILES: OC(=O)CN(CCCCCCCCCCCC)C
Compound: MG(18:1(12Z)-O(9S,10R)/0:0/0:0)
SMILES: O1C(C1C/C=C\CCCCC)CCCCCCCC(OC[C@@H](O)CO)=O
Compound: PE(DiMe(13,5)/PGF2alpha)
SMILES: P(OC[C@H](OC(=O)CCC\C=C\C[C@@H]1[C@H]([C@H](O)C[C@@H]1O)/C=C/[C@@H](O)CCCCC)COC(=O)CCCCCCCCCCCCC=2OC(=C(C2C)C)CCCCC)(OCCN)(O)=O
Compound: Mucronine D
SMILES: O1C2C(N(CC2)C(=O)C(NC(=O)C(N(C)C)CC3=CC=CC=C3)CC(C)C)C(=O)NC(C(CC)C)C(=O)NC=CC=4C=C1C=CC4OC
Compound: SM(d19:1/LTE4)
SMILES: S([C@@H]([C@@H](O)CCCC(O)=O)/C=C/C=C/C=C\C/C=C\CCCCC)C[C@H](N)C(=O)N[C@H]([C@H](O)\C=C\CCCCCCCCCCCCCC)COP(OCC[N+](C)(C)C)([O-])=O
Compound: PE(20:1(11Z)/22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14))
SMILES: P(OC[C@H](OC(=O)CC/C=C\C/C=C\C/C=C\C=C\C(O)C/C=C\C/C=C\CC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(OCCN)(O)=O
Compound: PC(O-16:1(11Z)/2:0)
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)C)COCCCCCCCCCC/C=C\CCCC)([O-])=O
Compound: beta-L-Dioxolane-cytidine
SMILES: O1C(N2C=CC(=NC2=O)N)CO[C@H]1CO
Compound: Nelipepimut-S
SMILES: O=C(N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC(C)C)C(O)=O)C)CO)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@H](CC)C
Compound: PC(DiMe(13,5)/PGE1)
SMILES: P(OC[C@H](OC(=O)CCCCCC[C@@H]1[C@H]([C@H](O)CC1=O)/C=C/[C@@H](O)CCCCC)COC(=O)CCCCCCCCCCCCC=2OC(=C(C2C)C)CCCCC)(OCC[N+](C)(C)C)([O-])=O
Compound: DG(8:0/17:0/0:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCC)CO
Compound: PG(i-24:0/20:3(8Z,11Z,14Z)-2OH(5,6))
SMILES: P(OC[C@H](OC(=O)CCCC(O)C(O)C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(OC[C@@H](O)CO)(O)=O
Compound: R1-Barrigenol
SMILES: OC1C2(C3(C(C4(C(CC3)C(C(O)CC4)(C)C)C)CC=C2C5C(C1O)(C(O)C(O)C(C5)(C)C)CO)C)C
Compound: 4-(3-Hydroxypropyl)morpholine
SMILES: O1CCN(CC1)CCCO
Compound: PG(i-12:0/18:3(10,12,15)-OH(9))
SMILES: P(OC[C@H](OC(=O)CCCCCCCC(O)/C=C/C=C/C/C=C/CC)COC(=O)CCCCCCCCC(C)C)(OC[C@@H](O)CO)(O)=O
Compound: FA 15 (antioxidant)
SMILES: OC1=C(C(C)(C)C)C=C(CN(CC2=CC(C(C)(C)C)=C(O)C(C(C)(C)C)=C2)C)C=C1C(C)(C)C
Compound: PS(16:0/5-iso PGF2VI)
SMILES: P(OC[C@H](OC(=O)C/C=C\C[C@H]1[C@H]([C@H](O)C[C@@H]1O)/C=C/[C@H](O)CCCCC)COC(=O)CCCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: (2S,3S,5S,8S,9S,10S,13S,14S,17S)-17-Acetyl-2-(2,2-dimethylmorpholino)-3-hydroxy-10,13-dimethylhexadecahydro-11H-cyclopenta[a]phenanthren-11-one
SMILES: O=C1[C@H]2[C@H]([C@H]3[C@@]([C@H](CC3)C(=O)C)(C1)C)CC[C@@H]4[C@@]2(C[C@H](N5CC(OCC5)(C)C)[C@@H](O)C4)C
Compound: 2,6-nonadienal
SMILES: O=CC=CCCC=CCC
Compound: Pregnan-20-one
SMILES: O=C([C@@H]1[C@@]2([C@H]([C@H]3[C@@H]([C@@]4(C(CC3)CCCC4)C)CC2)CC1)C)C
Compound: Cholylcitrulline
SMILES: OC1C2(C(C3C(C4(C(CC3O)CC(O)CC4)C)C1)CCC2C(CCC(=O)NC(CCCNC(=O)N)C(O)=O)C)C
Compound: (Z)-1,5-Undecadiene
SMILES: C(CCC)C/C=C\CCC=C
Compound: Vinaginsenoside R11
SMILES: O(C1C2C(C3C(C4(C(C(CC4)C5(OC(C(O)CC5)(C)C)C)C(O)C3)C)(C1)C)(CCC(O)C2(C)C)C)C6OC(C(O)C(O)C6OC7OCC(O)C(O)C7O)CO
Compound: N-Linoleoyl Lysine
SMILES: O=C(NC(CCCCN)C(O)=O)CCCCCCC/C=C/C\C=C\CCCCC
Compound: PIP(PGF1alpha/20:0)
SMILES: P1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H]([C@@H](O)C[C@@H](O)[C@@H]([C@@H](O)[C@H]2OP(O)(O)=O)C=C[C@@H](O)CCCCC)CCCCCCC(OC[C@@H](OC(=O)CCCCCCCCCCCCCCCCCCC)CO1)=O)(O)=O
Compound: CDP-DG(i-14:0/18:2(10E,12Z)+=O(9))
SMILES: P(OC[C@H]1O[C@@H](N2C=CC(=NC2=O)N)[C@H](O)[C@@H]1O)(OP(OC[C@H](OC(=O)CCCCCCCC(=O)/C=C/C=C\CCCCC)COC(=O)CCCCCCCCCCC(C)C)(O)=O)(O)=O
Compound: PS(18:2(9Z,11E)+=O(13)/18:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\C=C\C(=O)CCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: (5Z)-7-[(1R)-2-[(1E,3S)-3-Hydroxyoct-1-en-1-yl]-5-oxocyclopent-2-en-1-yl]hept-5-enoylcarnitine
SMILES: O(C(C[N+](C)(C)C)CC([O-])=O)C(=O)CCC\C=C\CC1C(=CCC1=O)/C=C/C(O)CCCCC
Compound: Paeonimetabolin I
SMILES: O1C2(C3(OC1C(C(C3)C(=O)C2)C)O)C
Compound: (8R,9R,10S,13R,14S)-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-Hexadecahydrocyclopenta[a]phenanthrene-13-carbaldehyde
SMILES: O=CC12C(C3C(C4C(CC3)CCCC4)CC1)CCC2
Compound: MG(18:1(12Z)-2OH(9,10)/0:0/0:0)
SMILES: O[C@H](CCCCCCCC(OC[C@@H](O)CO)=O)[C@H](O)C/C=C\CCCCC
Compound: DG(15:0/20:4(5Z,8Z,11Z,14Z)-OH(20)/0:0)
SMILES: O(C(=O)CCCCCCCCCCCCCC)C[C@@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCO)CO
Compound: 1-Pentene
SMILES: C(CC=C)C
Compound: Cyclopentanecarboxylic acid
SMILES: OC(=O)C1CCCC1
Compound: 1-Methylpiperidin-4-yl butanoate
SMILES: O(C1CCN(CC1)C)C(=O)CCC
Compound: N-Linoleoyl Isoleucine
SMILES: O=C(NC(C(CC)C)C(O)=O)CCCCCCC/C=C/C\C=C\CCCCC
Compound: Dihydroalprenolol
SMILES: O(CC(O)CNC(C)C)C=1C(CCC)=CC=CC1
Compound: O-Butylhydroxylamine
SMILES: O(N)CCCC
Compound: Glucosaminylmuramyl-2-alanine-D-isoglutamine
SMILES: O([C@H]1[C@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N)C(O)=O)[C@@H](NC(=O)C)[C@@H](O[C@@H]1CO)O)[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2N)CO
Compound: Pregnanetriol 3a-O-b-D-glucuronide
SMILES: O[C@]1([C@@]2([C@H]([C@H]3[C@@H]([C@@]4(C(CC3)CC(OC5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)CC4)C)CC2)CC1)C)C(O)C
Compound: 2-Aminobenzylstatine
SMILES: O[C@H]([C@@H](NCC=1C(N)=CC=CC1)CC(C)C)CC(O)=O
Compound: 4E,8-Nonadienal
SMILES: O=CCC\C=C\CCC=C
Compound: Patchoula-2,4-diene
SMILES: [C@]123C([C@@H](CC1=C(C=C2)C)CC[C@H]3C)(C)C
Compound: alpha-Santalal
SMILES: O=C/C(=C\CCC1(C2(C3C2CC1C3)C)C)/C
Compound: 24-Norursa-3,12-dien-11-one
SMILES: O=C1C2C(C3(C(C4C(CC3)(CCC(C4C)C)C)=C1)C)(CCC5C2(CCC=C5C)C)C
Compound: DG(18:0/22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17)/0:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)C[C@@H](OC(=O)CC/C=C\C/C=C\C/C=C\C\C=C\C=C\C(O)C/C=C\CC)CO
Compound: 5-pentyl-2-furannonanoic acid
SMILES: O1C(CCCCCCCCC(O)=O)=CC=C1CCCCC
Compound: 2R-Hydroxymethyl-3S-hydroxypyrolidine
SMILES: O[C@@H]1[C@H](NCC1)CO
Compound: Artemisiatriene
SMILES: C(C)(C)(/C=C/C(C)=C)C=C
Compound: [(2S,3S,4S,5S,6R)-4,5-Dihydroxy-2,6-dimethyloxan-3-yl] hydrogen sulfate
SMILES: S(O[C@H]1[C@@H](O)[C@H](O)[C@H](O[C@H]1C)C)(O)(=O)=O
Compound: Desidustat
SMILES: O(N1C=2C(C(O)=C(C1=O)C(=O)NCC(O)=O)=CC=CC2)CC3CC3
Compound: SM(d17:2(4E,8Z)/5-iso PGF2VI)
SMILES: P(OC[C@H](NC(=O)C/C=C\C[C@H]1[C@H]([C@H](O)C[C@@H]1O)/C=C/[C@H](O)CCCCC)[C@H](O)/C=C/CC/C=C\CCCCCCCC)(OCC[N+](C)(C)C)([O-])=O
Compound: Cyclolinopeptide B
SMILES: S(CC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@H]3N(CCC3)C(=O)[C@@H](NC(=O)[C@@H](NC1=O)CC(C)C)[C@H](CC)C)CCC2)CC4=CC=CC=C4)CC5=CC=CC=C5)C(C)C)[C@H](CC)C)C
Compound: Notoginsenoside I
SMILES: O([C@@H]1C([C@H]2[C@@]([C@@H]3[C@]([C@]4([C@@H]([C@H](CC4)[C@@](O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO)(CCC=C(C)C)C)CC3)C)(CC2)C)(CC1)C)(C)C)[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O[C@@H]8O[C@@H]([C@@H](O)[C@H](O)[C@H]8O)CO)CO
Compound: PE(24:0/PGE2)
SMILES: P(OC[C@H](OC(=O)CCC/C=C\C[C@@H]1[C@H]([C@H](O)CC1=O)/C=C/[C@@H](O)CCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: PS(22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/22:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CC/C=C\C/C=C\C[C@H](O)/C=C/C=C\C=C\[C@H](O)C/C=C\CC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PS(20:1(11Z)/22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17))
SMILES: P(OC[C@H](OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C/C=C/C(O)C/C=C\CC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: N-(3-Aminopropyl)-N-methylcarbamic acid tert-butyl ester
SMILES: O(C(C)(C)C)C(=O)N(CCCN)C
Compound: 24-fluoro-25-hydroxyvitamin D3 / 24-fluoro-25-hydroxycholecalciferol
SMILES: FC(CC[C@H]([C@@H]1[C@@]2([C@@H](CC1)/C(/CCC2)=C/C=C\3/C[C@@H](O)CCC3=C)C)C)C(O)(C)C
Compound: DG(13:0/20:5(6E,8Z,11Z,14Z,17Z)-OH(5)/0:0)
SMILES: O(C(=O)CCCCCCCCCCCC)C[C@@H](OC(=O)CCCC(O)/C=C/C=C\C/C=C\C/C=C\C/C=C\CC)CO
Compound: SM(d17:1/22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](NC(=O)CC/C=C\C/C=C\C/C=C\C\C=C\C=C\C(O)C/C=C\CC)[C@H](O)\C=C\CCCCCCCCCCCC)([O-])=O
Compound: PI(18:0/PGF1alpha)
SMILES: P1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H]([C@@H](O)C[C@@H](O)[C@@H]([C@@H](O)[C@H]2O)/C=C\[C@@H](O)CCCCC)CCCCCCC(O[C@@H](CO1)COC(=O)CCCCCCCCCCCCCCCCC)=O)(O)=O
Compound: N-Docosahexaenoyl Lysine
SMILES: OC(=O)C(NC(=O)CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CC)CCCCN
Compound: CDP-DG(PGF1alpha/22:3(10Z,13Z,16Z))
SMILES: P1(OC[C@H]2O[C@@H](N3C=CC(=NC3=O)N)[C@H]([C@@H](O)C[C@@H](O)[C@@H]([C@H](O)[C@@H]2O)/C=C/[C@@H](O)CCCCC)CCCCCCC(OC[C@@H](OC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCCC)COP(O1)(O)=O)=O)(O)=O
Compound: 1-Tert-Butyl 4-ethyl 3-oxopiperidine-1,4-dicarboxylate
SMILES: O(C(C)(C)C)C(=O)N1CCC(C(=O)C1)C(OCC)=O
Compound: Imidazooxazole
SMILES: O1C2=NC=NC2=NC1
Compound: PI(16:2(9Z,12Z)/LTE4)
SMILES: S(C[C@H](N)C(O[C@@H](COP(OC1[C@H](O)[C@H](O)C(O)[C@H](O)[C@H]1O)(O)=O)COC(=O)CCCCCCC/C=C\C/C=C\CCC)=O)[C@@H]([C@@H](O)CCCC(O)=O)/C=C/C=C/C=C\C/C=C\CCCCC
Compound: PI(18:0/6 keto-PGF1alpha)
SMILES: P1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H]([C@@H](O)C[C@@H](O)[C@@H]([C@@H](O)[C@H]2O)/C=C/[C@@H](O)CCCCC)CC(=O)CCCCC(O[C@@H](CO1)COC(=O)CCCCCCCCCCCCCCCCC)=O)(O)=O
Compound: Amaranthussaponin IV
SMILES: O(C1C(C2C(C3C(C4(C(C5C(CC4)(CCC(C5)=C)C(OC6OC(C(O)C(O)C6O)CO)=O)=CC3)C)(CC2)C)(CC1O)C)(C)C=O)C7OC(C(O)C(OC8OC(C(O)C(O)C8O)C)C7O)C(O)=O
Compound: CTOP
SMILES: S1SCC(NC(=O)C(N)CC2=CC=CC=C2)C(=O)NC(C(=O)NC(CC=3C=4C(NC3)=CC=CC4)C(=O)NC(CCCN)C(=O)NC(C(=O)NC(C1(C)C)C(=O)NC(C(O)C)C(=O)N)C(O)C)CC5=CC=C(O)C=C5
Compound: CDP-DG(a-25:0/PGE1)
SMILES: P1(OC[C@H]2O[C@@H](N3C=CC(=NC3=O)N)[C@@H](CCCCCCC(O[C@@H](COP(O1)(O)=O)COC(=O)CCCCCCCCCCCCCCCCCCCCC(CC)C)=O)C(=O)C[C@@H](O)[C@@H]([C@H](O)[C@@H]2O)/C=C\[C@@H](O)CCCCC)(O)=O
Compound: (22E)-26,26,26,27,27,27-hexafluoro-25-hydroxy-22,23-didehydrovitamin D3 / (22E)-26,26,26,27,27,27-hexafluoro-25-hydroxy-22,23-didehydrocholecalciferol
SMILES: FC(F)(F)C(O)(C\C=C\[C@H]([C@@H]1[C@@]2([C@@H](CC1)/C(/CCC2)=C/C=C\3/C[C@@H](O)CCC3=C)C)C)C(F)(F)F
Compound: Ganglioside GM3 (d18:1/9Z-18:1)
SMILES: O1[C@](O[C@@H]2[C@@H](O)[C@@H](O[C@@H]([C@@H]2O)CO)O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]3CO)OC[C@H](NC(=O)CCCCCCC/C=C\CCCCCCC)[C@H](O)/C=C\CCCCCCCCCCCCC)(C[C@H](O)[C@@H](NC(=O)C)[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
Compound: I-Bimetrol
SMILES: ICC=1C[C@H]2[C@H]3[C@@]([C@H](CC3)[C@@H](CCCC(C)C)C)(CC[C@@H]2[C@@]4(C1C[C@@H](O)CC4)C)C
Compound: PI(PGE2/22:3(10Z,13Z,16Z))
SMILES: P1(O[C@@H]2[C@H](O)[C@H](O)[C@H]([C@H](O)CC(=O)[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CC=CCCCC(OC[C@@H](OC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCCC)CO1)=O)/C=C/[C@@H](O)CCCCC)(O)=O
Compound: Trihexosylceramide (d18:1/12:0)
SMILES: O([C@H]1[C@H](O)[C@@H](O)[C@@H](O[C@@H]1CO)OC[C@H](NC(=O)CCCCCCCCCCC)[C@H](O)/C=C/CCCCCCCCCCCCC)[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO
Compound: 20-Epi-Eldecalcitol
SMILES: OC(CCCC(C1C2(C(CC1)/C(/CCC2)=C/C=C\3/CC(O)C(C(O)C3=C)CCCO)C)C)(C)C
Compound: DG(15:0/TXB2/0:0)
SMILES: O1[C@@H]([C@H]([C@@H](O)CC1O)C/C=C\CCCC(O[C@H](COC(=O)CCCCCCCCCCCCCC)CO)=O)/C=C/[C@@H](O)CCCCC
Compound: PE(14:0/20:3(8Z,11Z,14Z)-2OH(5,6))
SMILES: P(OC[C@H](OC(=O)CCCC(O)C(O)C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCC)(OCCN)(O)=O
Compound: Diglyceryl monooleate
SMILES: O(C(=O)CCCCCCC/C=C\CCCCCCCC)CC(O)COCC(O)CO