MonarchInit/C3PO huggingface dataset:
Compound: prednival
SMILES: O(C(CCCC)=O)[C@@]1(C(CO)=O)[C@]2(C)[C@@](CC1)([C@]3([C@]([C@H](C2)O)([C@]4(C)C(CC3)=CC(C=C4)=O)[H])[H])[H]
Compound: halometasone
SMILES: F[C@@]12[C@]([C@]3([C@@](C[C@@H]1O)(C)[C@]([C@@H](C3)C)(C(CO)=O)O)[H])(C[C@@H](C=4[C@]2(C)C=C(C(C4)=O)Cl)F)[H]
Compound: glisentide
SMILES: C(NCCC1=CC=C(C=C1)S(NC(NC2CCCC2)=O)(=O)=O)(=O)C3=C(OC)C=CC=C3
Compound: metopimazine
SMILES: CS(=O)(=O)C1=CC=C2SC3=CC=CC=C3N(CCCN4CCC(CC4)C(N)=O)C2=C1
Compound: spiclomazine
SMILES: ClC1=CC=C2SC3=CC=CC=C3N(CCCN4CCC5(CC4)NC(=O)CS5)C2=C1
Compound: fluocortin butyl
SMILES: C[C@@]12[C@]([C@]3([C@]([C@H](C1)O)([C@]4(C)C([C@H](C3)F)=CC(C=C4)=O)[H])[H])(C[C@H]([C@@H]2C(C(OCCCC)=O)=O)C)[H]
Compound: carpipramine
SMILES: C(N)(=O)C1(CCN(CC1)CCCN2C=3C(CCC4=C2C=CC=C4)=CC=CC3)N5CCCCC5
Compound: tioclomarol
SMILES: C(CC(O)C1=CC=C(C=C1)Cl)(C2=C(O)C=3C(OC2=O)=CC=CC3)C=4SC(=CC4)Cl
Compound: glisoxepide
SMILES: S(NC(NN1CCCCCC1)=O)(=O)(=O)C2=CC=C(C=C2)CCNC(=O)C3=NOC(=C3)C
Compound: sofalcone
SMILES: CC(C)=CCOC1=CC=C(\C=C\C(=O)C2=C(OCC(O)=O)C=C(OCC=C(C)C)C=C2)C=C1
Compound: tiomesterone
SMILES: S(C(C)=O)[C@H]1[C@@]2([C@@]([C@@]3(C(C1)=CC(C[C@@H]3SC(C)=O)=O)C)(CC[C@]4([C@]2(CC[C@]4(C)O)[H])C)[H])[H]
Compound: mannite hexanitrate
SMILES: [O-][N+](=O)OC[C@@H](O[N+]([O-])=O)[C@@H](O[N+]([O-])=O)[C@H](O[N+]([O-])=O)[C@@H](CO[N+]([O-])=O)O[N+]([O-])=O
Compound: delapril
SMILES: N(C([C@@H](N[C@@H](CCC1=CC=CC=C1)C(OCC)=O)C)=O)(CC(O)=O)C2CC3=C(C2)C=CC=C3
Compound: sitaxentan
SMILES: C(CC1=CC2=C(C=C1C)OCO2)(=O)C3=C(S(NC4=C(Cl)C(=NO4)C)(=O)=O)C=CS3
Compound: lacidipine
SMILES: N1C(=C(C(C(=C1C)C(OCC)=O)C=2C=CC=CC2/C=C/C(OC(C)(C)C)=O)C(=O)OCC)C
Compound: clevidipine
SMILES: C(OCOC(CCC)=O)(=O)C=1C(C(C(OC)=O)=C(NC1C)C)C2=C(Cl)C(Cl)=CC=C2
Compound: xenytropium
SMILES: C([N+]1(C)[C@H]2C[C@@H](C[C@@H]1CC2)OC(C(CO)C3=CC=CC=C3)=O)C4=CC=C(C=C4)C5=CC=CC=C5
Compound: detajmium
SMILES: O[C@H]1[C@]23[C@]([C@]4([N@@+]5([C@@H]([C@H]([C@@H]([C@H]1[C@]5([H])C2)C4)CC)O)CC(CN(CC)CC)O)[H])(N(C=6C=CC=CC36)C)[H]
Compound: testosterone undecanoate
SMILES: C[C@@]12[C@@]3([C@]([C@]4([C@@](CC3)(C)[C@H](CC4)OC(CCCCCCCCCC)=O)[H])(CCC1=CC(CC2)=O)[H])[H]
Compound: ormeloxifene
SMILES: C1(C(C(C=2C(O1)=CC(=CC2)OC)C3=CC=C(C=C3)OCCN4CCCC4)C5=CC=CC=C5)(C)C
Compound: fluazacort
SMILES: C(COC(C)=O)(=O)[C@]12[C@]3(C)[C@@](C[C@]1(OC(=N2)C)[H])([C@]4([C@@]([C@](C3)(O)[H])(F)[C@]5(C)C(CC4)=CC(C=C5)=O)[H])[H]
Compound: fenoverine
SMILES: O=C(CN1CCN(CC2=CC=C3OCOC3=C2)CC1)N4C5=CC=CC=C5SC6=CC=CC=C46
Compound: prednisolone succinate
SMILES: [H][C@@]12CC[C@](O)(C(=O)COC(=O)CCC(O)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C
Compound: hydrocortisone aceponate
SMILES: C(COC(C)=O)(=O)[C@]1(OC(CC)=O)[C@]2(C)[C@@](CC1)([C@]3([C@]([C@H](C2)O)([C@]4(C)C(CC3)=CC(CC4)=O)[H])[H])[H]
Compound: dexloxiglumide
SMILES: [C@@H](C(N(CCCCC)CCCOC)=O)(NC(=O)C1=CC(Cl)=C(C=C1)Cl)CCC(O)=O
Compound: lenampicillin
SMILES: [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=CC=C1)C(=O)OCC1=C(C)OC(=O)O1
Compound: cinnoxicam
SMILES: O(C(/C=C/C1=CC=CC=C1)=O)C=2C=3C(S(N(C2C(NC4=CC=CC=N4)=O)C)(=O)=O)=CC=CC3
Compound: cefalexin pivoxil
SMILES: C(OCOC(C(C)(C)C)=O)(=O)C=1N2[C@@]([C@@H](C2=O)NC([C@H](N)C3=CC=CC=C3)=O)(SCC1C)[H]
Compound: tobuterol
SMILES: O(C(=O)C1=CC=C(C=C1)C)C2=CC(OC(=O)C3=CC=C(C=C3)C)=CC(=C2)C(CNC(C)(C)C)O
Compound: asulacrine
SMILES: N(C1=C2C(C(C(NC)=O)=CC=C2)=NC=3C1=CC=CC3C)C4=C(OC)C=C(C=C4)NS(C)(=O)=O
Compound: loprazolam
SMILES: O=C/1N2C=3C(C(=NCC2=N\C1=C/N4CCN(CC4)C)C5=C(Cl)C=CC=C5)=CC(=CC3)[N+](=O)[O-]
Compound: sulprostone
SMILES: C(=C/[C@H](COC1=CC=CC=C1)O)\[C@@H]2[C@@H](C/C=C\CCCC(NS(C)(=O)=O)=O)C(C[C@H]2O)=O
Compound: spirapril
SMILES: C([C@@H](N[C@@H](CCC1=CC=CC=C1)C(OCC)=O)C)(=O)N2CC3(C[C@H]2C(=O)O)SCCS3
Compound: edatrexate
SMILES: NC=1C=2C(=NC=C(N2)CC(CC)C3=CC=C(C=C3)C(N[C@@H](CCC(O)=O)C(O)=O)=O)N=C(N1)N
Compound: tiropramide
SMILES: C(CC1=CC=C(C=C1)OCCN(CC)CC)(C(N(CCC)CCC)=O)NC(=O)C2=CC=CC=C2
Compound: diethylaminoethoxyhexestrol
SMILES: C(C(CC)C1=CC=C(C=C1)OCCN(CC)CC)(CC)C2=CC=C(C=C2)OCCN(CC)CC
Compound: dibrompropamidine
SMILES: O(CCCOC1=C(Br)C=C(C=C1)C(=N)N)C2=C(Br)C=C(C=C2)C(=N)N
Compound: adamexine
SMILES: N(CC1=C(NC(C)=O)C(Br)=CC(=C1)Br)(C)C23CC4CC(C2)CC(C3)C4
Compound: methylprednisolone aceponate
SMILES: C(COC(C)=O)(=O)[C@]1(OC(CC)=O)[C@]2(C)[C@@](CC1)([C@]3([C@]([C@H](C2)O)([C@]4(C)C([C@H](C3)C)=CC(C=C4)=O)[H])[H])[H]
Compound: prednisolamate
SMILES: C[C@@]12[C@]([C@]3([C@]([C@H](C1)O)([C@]4(C)C(CC3)=CC(C=C4)=O)[H])[H])(CC[C@@]2(C(COC(CN(CC)CC)=O)=O)O)[H]
Compound: mitopodozide
SMILES: C(NNCC)(=O)[C@@H]1[C@@H](C2=C([C@@H]([C@H]1CO)O)C=C3C(=C2)OCO3)C4=CC(OC)=C(C(=C4)OC)OC
Compound: methylprednisolone succinate
SMILES: C[C@@]12[C@]([C@]3([C@]([C@H](C1)O)([C@]4(C)C([C@H](C3)C)=CC(C=C4)=O)[H])[H])(CC[C@@]2(C(COC(CCC(O)=O)=O)=O)O)[H]
Compound: tibezonium
SMILES: S(CC[N+](CC)(CC)C)C=1CC(=NC=2C(N1)=CC=CC2)C3=CC=C(C=C3)SC4=CC=CC=C4
Compound: rilmazafone
SMILES: C(NC(CN)=O)C=1N(N=C(N1)C(N(C)C)=O)C2=C(C(=O)C3=C(Cl)C=CC=C3)C=C(C=C2)Cl
Compound: picloxydine
SMILES: C(NC(NC1=CC=C(C=C1)Cl)=N)(=N)N2CCN(CC2)C(NC(NC3=CC=C(C=C3)Cl)=N)=N
Compound: pipotiazine palmitate
SMILES: CN(C)S(=O)(=O)C1=CC=C2SC3=CC=CC=C3N(CCCN4CCC(CCOC(=O)CCCCCCCCCCCCCCC)CC4)C2=C1
Compound: dexamethasone valerate
SMILES: C[C@@]12[C@@](OC(CCCC)=O)(C(CO)=O)[C@@H](C[C@]1([C@]3([C@@]([C@H](C2)O)(F)[C@]4(C)C(CC3)=CC(C=C4)=O)[H])[H])C
Compound: temocapril
SMILES: C(C(O)=O)N1C[C@H](SC[C@@H](C1=O)N[C@@H](CCC2=CC=CC=C2)C(OCC)=O)C3=CC=CS3
Compound: meclocycline
SMILES: O[C@]12[C@]([C@H](N(C)C)C(=C(C1=O)C(N)=O)O)([C@@H](O)[C@]3(C(=C2O)C(=O)C4=C(C3=C)C(Cl)=CC=C4O)[H])[H]
Compound: feclobuzone
SMILES: C(OC(=O)C1=CC=C(C=C1)Cl)C2(CCCC)C(=O)N(N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4
Compound: ebrotidine
SMILES: C(SCCN/C=N/S(=O)(=O)C1=CC=C(C=C1)Br)C=2N=C(SC2)NC(=N)N
Compound: cefteram
SMILES: C(O)(=O)C=1N2[C@@]([C@@H](C2=O)NC(/C(=N\OC)/C3=CSC(=N3)N)=O)(SCC1CN4N=C(N=N4)C)[H]
Compound: (S)-nicardipine
SMILES: [H][C@]1(C2=CC=CC(=C2)[N+]([O-])=O)C(C(=O)OC)=C(C)NC(C)=C1C(=O)OCCN(C)CC1=CC=CC=C1
Compound: clocapramine
SMILES: C(N)(=O)C1(CCN(CC1)CCCN2C=3C(CCC4=C2C=CC=C4)=CC=C(C3)Cl)N5CCCCC5
Compound: amrubicin
SMILES: O([C@H]1C[C@H](O)[C@@H](CO1)O)[C@@H]2C=3C(=C(O)C4=C(C3O)C(=O)C=5C(C4=O)=CC=CC5)C[C@](C2)(C(C)=O)N
Compound: otilonium bromide
SMILES: O(CCCCCCCC)C1=C(C(NC2=CC=C(C=C2)C(OCC[N+](CC)(CC)C)=O)=O)C=CC=C1
Compound: fentonium
SMILES: [N+]1([C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)[C@H](CO)C3=CC=CC=C3)(CC(C=4C=CC(=CC4)C5=CC=CC=C5)=O)C
Compound: ulobetasol propionate
SMILES: O(C(CC)=O)[C@@]1(C(CCl)=O)[C@]2(C)[C@@](C[C@@H]1C)([C@]3([C@@]([C@H](C2)O)(F)[C@]4(C)C([C@H](C3)F)=CC(C=C4)=O)[H])[H]
Compound: etiprednol dicloacetate
SMILES: O(C(C(Cl)Cl)=O)[C@@]1(C(OCC)=O)[C@]2(C)[C@@](CC1)([C@]3([C@]([C@H](C2)O)([C@]4(C)C(CC3)=CC(C=C4)=O)[H])[H])[H]
Compound: imiclopazine
SMILES: CN1CCN(CCN2CCN(CCCN3C4=CC=CC=C4SC5=C3C=C(Cl)C=C5)CC2)C1=O
Compound: prednisolone valerate acetate
SMILES: C(COC(C)=O)(=O)[C@]1(OC(CCCC)=O)[C@]2(C)[C@@](CC1)([C@]3([C@]([C@H](C2)O)([C@]4(C)C(CC3)=CC(C=C4)=O)[H])[H])[H]
Compound: fenoxedil
SMILES: N(C(COC1=CC=C(C=C1)OCCCC)=O)(CCN(CC)CC)C2=C(OCC)C=CC(=C2)OCC
Compound: fluclorolone acetonide
SMILES: C(CO)(=O)[C@]12[C@]3(C)[C@@](C[C@]1(OC(O2)(C)C)[H])([C@]4([C@@]([C@H](C3)Cl)(Cl)[C@]5(C)C([C@H](C4)F)=CC(C=C5)=O)[H])[H]
Compound: riodoxol
SMILES: OC1=C(I)C(O)=C(C=C1I)I
Compound: neltenexine
SMILES: N(C(=O)C1=CC=CS1)C2=C(CN[C@H]3CC[C@@H](CC3)O)C=C(C=C2Br)Br
Compound: estriol succinate
SMILES: C[C@@]12[C@]([C@]3([C@](CC1)(C=4C(CC3)=CC(=CC4)O)[H])[H])(C[C@H]([C@@H]2OC(CCC(O)=O)=O)OC(CCC(O)=O)=O)[H]
Compound: prednicarbate
SMILES: C(COC(CC)=O)(=O)[C@]1(OC(OCC)=O)[C@]2(C)[C@@](CC1)([C@]3([C@]([C@H](C2)O)([C@]4(C)C(CC3)=CC(C=C4)=O)[H])[H])[H]
Compound: sulisatin
SMILES: O=C1C(C2=C(N1)C(C)=CC=C2)(C3=CC=C(C=C3)OS(=O)(=O)O)C4=CC=C(C=C4)OS(=O)(=O)O
Compound: barnidipine
SMILES: C(O[C@@H]1CN(CC1)CC2=CC=CC=C2)(=O)C=3[C@H](C(C(OC)=O)=C(NC3C)C)C4=CC([N+](=O)[O-])=CC=C4
Compound: bezitramide
SMILES: C(CCN1CCC(CC1)N2C3=C(N(C2=O)C(CC)=O)C=CC=C3)(C#N)(C4=CC=CC=C4)C5=CC=CC=C5
Compound: loperamide oxide
SMILES: C(CC[N@@+]1([O-])CC[C@](CC1)(O)C2=CC=C(C=C2)Cl)(C(N(C)C)=O)(C3=CC=CC=C3)C4=CC=CC=C4
Compound: pheniodol sodium
SMILES: C(CC1=CC(I)=C(C(=C1)I)O)(C(O)=O)C2=CC=CC=C2
Compound: nicomorphine
SMILES: O(C(=O)C=1C=CC=NC1)[C@@H]2[C@]3([C@]45C6=C(O3)C(OC(=O)C=7C=CC=NC7)=CC=C6C[C@]([C@@]4(C=C2)[H])(N(CC5)C)[H])[H]
Compound: betamethasone benzoate
SMILES: O(C(=O)C1=CC=CC=C1)[C@@]2(C(CO)=O)[C@]3(C)[C@@](C[C@@H]2C)([C@]4([C@@]([C@H](C3)O)(F)[C@]5(C)C(CC4)=CC(C=C5)=O)[H])[H]
Compound: tebipenem pivoxil
SMILES: C(OCOC(C(C)(C)C)=O)(=O)C=1N2[C@]([C@H](C1SC3CN(C3)C4=NCCS4)C)([C@](C2=O)([C@@H](C)O)[H])[H]
Compound: binifibrate
SMILES: C(OC(C(OC1=CC=C(C=C1)Cl)(C)C)=O)(COC(=O)C=2C=CC=NC2)COC(=O)C=3C=CC=NC3
Compound: clobenoside
SMILES: [C@@H](OCC1=CC=C(Cl)C=C1)(COCC2=CC=C(Cl)C=C2)[C@@]3([C@H](OCCC)[C@H](C(OCC)O3)O)[H]
Compound: tritoqualine
SMILES: O(CC)C=1C=2C(OC(C2C(=C(C1OCC)OCC)N)=O)C3C=4C(OC)=C5C(=CC4CCN3C)OCO5
Compound: teclozan
SMILES: N(CC1=CC=C(C=C1)CN(CCOCC)C(C(Cl)Cl)=O)(CCOCC)C(C(Cl)Cl)=O
Compound: hexafluronium
SMILES: [N+](CCCCCC[N+](C)(C)C1C2=C(C=3C1=CC=CC3)C=CC=C2)(C)(C)C4C5=C(C=6C4=CC=CC6)C=CC=C5
Compound: dexamethasone dipropionate
SMILES: C(COC(CC)=O)(=O)[C@]1(OC(CC)=O)[C@]2(C)[C@@](C[C@H]1C)([C@]3([C@@]([C@H](C2)O)(F)[C@]4(C)C(CC3)=CC(C=C4)=O)[H])[H]
Compound: benidipine
SMILES: C(O[C@H]1CN(CC2=CC=CC=C2)CCC1)(=O)C=3C(C(C(OC)=O)=C(NC3C)C)C4=CC([N+](=O)[O-])=CC=C4
Compound: tropesin
SMILES: C(=O)(N1C2=C(C(=C1C)CC(OCC(C(O)=O)C3=CC=CC=C3)=O)C=C(C=C2)OC)C4=CC=C(C=C4)Cl
Compound: oxaflumazine
SMILES: FC(F)(F)C1=CC=C2SC3=CC=CC=C3N(CCCN4CCN(CCC5OCCCO5)CC4)C2=C1
Compound: landiolol
SMILES: C(CC(OC[C@H]1OC(OC1)(C)C)=O)C2=CC=C(C=C2)OC[C@H](CNCCNC(=O)N3CCOCC3)O
Compound: atrasentan
SMILES: C(O)(=O)[C@H]1[C@@H](N(C[C@@H]1C2=CC3=C(C=C2)OCO3)CC(N(CCCC)CCCC)=O)C4=CC=C(C=C4)OC
Compound: pinaverium
SMILES: C([N+]1(CCOCCC2C3C(C(C3)CC2)(C)C)CCOCC1)C4=CC(OC)=C(C=C4Br)OC
Compound: cefetamet pivoxil
SMILES: C(OCOC(C(C)(C)C)=O)(=O)C=1N2[C@@]([C@@H](C2=O)NC(/C(=N\OC)/C=3N=C(SC3)N)=O)(SCC1C)[H]
Compound: flomoxef
SMILES: N(C(CSC(F)F)=O)[C@@]1(OC)[C@@]2(N(C1=O)C(=C(CO2)CSC=3N(CCO)N=NN3)C(=O)O)[H]
Compound: benziodarone
SMILES: C(=O)(C=1C2=C(OC1CC)C=CC=C2)C3=CC(I)=C(C(=C3)I)O
Compound: betamethasone butyrate propionate
SMILES: C(COC(CC)=O)(=O)[C@]1(OC(CCC)=O)[C@]2(C)[C@@](C[C@@H]1C)([C@]3([C@@]([C@H](C2)O)(F)[C@]4(C)C(CC3)=CC(C=C4)=O)[H])[H]
Compound: glucametacin
SMILES: C(=O)(N1C2=C(C(=C1C)CC(N[C@@H]3[C@H]([C@@H]([C@@H](CO)OC3O)O)O)=O)C=C(C=C2)OC)C4=CC=C(C=C4)Cl
Compound: cefminox
SMILES: N(C(CSC[C@H](C(O)=O)N)=O)[C@@]1(OC)[C@@]2(N(C1=O)C(C(O)=O)=C(CS2)CSC=3N(C)N=NN3)[H]
Compound: pirozadil
SMILES: O(C)C1=C(OC)C=C(C=C1OC)C(OCC=2N=C(COC(=O)C3=CC(OC)=C(C(=C3)OC)OC)C=CC2)=O
Compound: dexamethasone acefurate
SMILES: O(C(=O)C1=CC=CO1)[C@@]2(C(COC(C)=O)=O)[C@]3(C)[C@@](C[C@H]2C)([C@]4([C@@]([C@H](C3)O)(F)[C@]5(C)C(CC4)=CC(C=C5)=O)[H])[H]
Compound: cortivazol
SMILES: C[C@@]12[C@]([C@]3([C@]([C@H](C1)O)([C@]4(C)C(C(=C3)C)=CC5=C(C4)C=NN5C6=CC=CC=C6)[H])[H])(C[C@H]([C@@]2(C(COC(C)=O)=O)O)C)[H]
Compound: tocopherol succinate
SMILES: CC1=C2C(=C(C(=C1C)OC(CCC(O)=O)=O)C)CC[C@](O2)(CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C
Compound: nafiverine
SMILES: C(C(OCCN1CCN(CC1)CCOC(C(C)C=2C=3C(C=CC2)=CC=CC3)=O)=O)(C)C=4C=5C(C=CC4)=CC=CC5
Compound: prednisolone sulfobenzoate
SMILES: C[C@@]12[C@]([C@]3([C@]([C@H](C1)O)([C@]4(C)C(CC3)=CC(C=C4)=O)[H])[H])(CC[C@@]2(C(COC(=O)C5=CC(S(=O)(=O)O)=CC=C5)=O)O)[H]
Compound: meproscillarin
SMILES: O[C@@]12[C@]3([C@@]([C@]4(C)C(CC3)=C[C@H](CC4)O[C@]5([C@H](O)[C@H](O)[C@H]([C@@H](O5)C)OC)[H])(CC[C@]1(C)[C@H](CC2)C=6C=CC(OC6)=O)[H])[H]
Compound: peruvoside
SMILES: C(=O)[C@@]12[C@@]3([C@]([C@]4(O)[C@@](CC3)(C)[C@H](CC4)C=5COC(C5)=O)(CC[C@@]1(C[C@H](CC2)O[C@]6([C@@H](O)[C@H](OC)[C@H]([C@@H](O6)C)O)[H])[H])[H])[H]
Compound: octenidine
SMILES: C(CCCCCCCCCN1C=CC(C=C1)=NCCCCCCCC)N2C=CC(C=C2)=NCCCCCCCC
Compound: bufeniode
SMILES: C(C(NC(CCC1=CC=CC=C1)C)C)(O)C2=CC(I)=C(C(=C2)I)O
Compound: phenobutiodil
SMILES: O(C(C(O)=O)CC)C1=C(I)C=C(C=C1I)I
Compound: alatrofloxacin
SMILES: O=C1C=2C(N(C=C1C(O)=O)C3=C(F)C=C(C=C3)F)=NC(=C(C2)F)N4C[C@]5([C@@](C4)([C@@H]5NC([C@@H](NC([C@H](C)N)=O)C)=O)[H])[H]
Compound: ecamsule
SMILES: C1=CC(=CC=C1C=C2C(C3(C(C2CC3)(C)C)CS(=O)(=O)O)=O)C=C4C(C5(C(C4CC5)(C)C)CS(=O)(=O)O)=O
Compound: desoxymycin
SMILES: O([C@]1([C@@H](NC)[C@H](O)[C@H]([C@@H](O1)CO)O)[H])[C@H]2[C@H](O[C@@]3([C@@H](NC(=N)N)[C@H](O)[C@H]([C@@H]([C@H]3O)O)NC(=N)N)[H])O[C@H]([C@@H]2CO)C
Compound: brovanexine
SMILES: C(N(C)C1CCCCC1)C2=C(NC(=O)C3=CC(OC)=C(C=C3)OC(C)=O)C(Br)=CC(=C2)Br
Compound: cefuroxime pivoxetil
SMILES: C=1(N2[C@](SCC1COC(N)=O)([C@@](C2=O)(NC(/C(/C=3OC=CC3)=N\OC)=O)[H])[H])C(OC(C)OC(=O)C(C)(C)OC)=O
Compound: formocortal
SMILES: C(COC(C)=O)(=O)[C@]12[C@]3(C)[C@@](C[C@]1(OC(O2)(C)C)[H])([C@]4([C@@]([C@H](C3)O)(F)[C@]5(C)C(=C(C4)C=O)C=C(CC5)OCCCl)[H])[H]
Compound: iodol
SMILES: IC1=C(I)C(I)=C(I)N1
Compound: diathymosulfone
SMILES: CC(C)C1=C(O)C=C(C)C(=C1)N=NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)N=NC4=CC(C(C)C)=C(O)C=C4C
Compound: iophenoic acid
SMILES: C(C(C(O)=O)CC)C1=C(I)C(O)=C(C=C1I)I
Compound: cytarabine ocfosfate
SMILES: O[C@@H]1[C@@H](O[C@@H]([C@H]1O)COP(OCCCCCCCCCCCCCCCCCC)(=O)O)N2C(=O)N=C(C=C2)N
Compound: difebarbamate
SMILES: C(C)C1(C(=O)N(CC(COCCCC)OC(N)=O)C(N(C1=O)CC(COCCCC)OC(N)=O)=O)C2=CC=CC=C2
Compound: hidrosmin
SMILES: O(CCO)C1=C2C(OC(=CC2=O)C3=CC(O)=C(C=C3)OC)=CC(=C1)O[C@@H]4O[C@H](CO[C@H]5[C@H](O)[C@H](O)[C@H]([C@@H](O5)C)O)[C@H]([C@@H]([C@H]4O)O)O
Compound: antrafenine
SMILES: N(C=1C=2C(=CC(=CC2)C(F)(F)F)N=CC1)C3=C(C(OCCN4CCN(CC4)C5=CC(C(F)(F)F)=CC=C5)=O)C=CC=C3
Compound: pentigetide
SMILES: [H]N[C@@H](CC(O)=O)C(N[C@@H](CO)C(N[C@@H](CC(O)=O)C(N1CCC[C@H]1C(N[C@@H](CCCNC(N)=N)C(O)=O)=O)=O)=O)=O
Compound: hexobendine
SMILES: O(C)C1=C(OC)C=C(C=C1OC)C(OCCCN(CCN(CCCOC(=O)C2=CC(OC)=C(C(=C2)OC)OC)C)C)=O
Compound: selenium (75Se) tauroselcholic acid
SMILES: O[C@H]1[C@]2([C@]3([C@@](C)([C@](CC3)([C@@H](C[75Se]CC(NCCS(=O)(=O)O)=O)C)[H])[C@H](C[C@@]2([C@@]4([C@](C1)(C[C@@H](CC4)O)[H])C)[H])O)[H])[H]
Compound: rapacuronium
SMILES: C(C=C)[N+]1(CCCCC1)[C@@H]2[C@H](OC(CC)=O)[C@@]3([C@@](C2)([C@]4([C@](CC3)([C@]5(C)[C@@](CC4)(C[C@@H]([C@H](C5)N6CCCCC6)OC(C)=O)[H])[H])[H])[H])C
Compound: nicofuranose
SMILES: O(C(=O)C=1C=CC=NC1)[C@H]2[C@H](OC(=O)C=3C=CC=NC3)[C@H](O[C@@]2(COC(=O)C=4C=CC=NC4)O)COC(=O)C=5C=CC=NC5
Compound: biricodar
SMILES: C(C(=O)C1=CC(OC)=C(C(=C1)OC)OC)(=O)N2[C@H](C(OC(CCCC=3C=CC=NC3)CCCC=4C=CC=NC4)=O)CCCC2
Compound: methoserpidine
SMILES: C(OC)(=O)[C@H]1[C@]2(C[C@@]3(C4=C(C5=C(N4)C=CC(=C5)OC)CCN3C[C@]2(C[C@H]([C@@H]1OC)OC(=O)C6=CC(OC)=C(C(=C6)OC)OC)[H])[H])[H]
Compound: manidipine
SMILES: C(OCCN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)(=O)C=4C(C(C(OC)=O)=C(NC4C)C)C5=CC([N+](=O)[O-])=CC=C5
Compound: iomeglamic acid
SMILES: N(C(CCCC(O)=O)=O)(C)C1=C(I)C(N)=C(C=C1I)I
Compound: butobendine
SMILES: O(C)C1=C(OC)C=C(C=C1OC)C(OC[C@@H](N(CCN([C@H](COC(=O)C2=CC(OC)=C(C(=C2)OC)OC)CC)C)C)CC)=O
Compound: triamcinolone benetonide
SMILES: C(COC(C(CNC(=O)C1=CC=CC=C1)C)=O)(=O)[C@]23[C@]4(C)[C@@](C[C@]2(OC(O3)(C)C)[H])([C@]5([C@@]([C@H](C4)O)(F)[C@]6(C)C(CC5)=CC(C=C6)=O)[H])[H]
Compound: tirilazad
SMILES: C[C@@]12[C@]([C@]3(C(=CC1)[C@]4(C)C(CC3)=CC(C=C4)=O)[H])(C[C@H]([C@@H]2C(CN5CCN(CC5)C=6C=C(N=C(N6)N7CCCC7)N8CCCC8)=O)C)[H]
Compound: guamecycline
SMILES: O[C@@]12[C@@](C[C@]3(C(=C1O)C(=O)C4=C([C@@]3(C)O)C=CC=C4O)[H])([C@H](N(C)C)C(=C(C2=O)C(NCN5CCN(CC5)C(NC(=N)N)=N)=O)O)[H]
Compound: tocofibrate
SMILES: CC1=C2C(=C(C(=C1C)OC(C(OC3=CC=C(C=C3)Cl)(C)C)=O)C)CC[C@](O2)(CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C
Compound: cefbuperazone
SMILES: N(C([C@](NC(=O)N1C(=O)C(=O)N(CC1)CC)([C@H](C)O)[H])=O)[C@@]2(OC)[C@@]3(N(C2=O)C(C(O)=O)=C(CS3)CSC=4N(C)N=NN4)[H]
Compound: bemotrizinol
SMILES: OC1=C(C=2N=C(N=C(N2)C3=CC=C(C=C3)OC)C4=C(O)C=C(C=C4)OCC(CCCC)CC)C=CC(=C1)OCC(CCCC)CC
Compound: anazolene
SMILES: N(C=1C=2C(C(=CC1)/N=N/C=3C=4C(C=C(C3)S(=O)(=O)O)=CC(=CC4O)S(=O)(=O)O)=CC=CC2S(=O)(=O)O)C5=CC=CC=C5
Compound: thyropropic acid
SMILES: O(C1=C(I)C=C(C=C1I)CCC(O)=O)C2=CC(I)=C(C=C2)O
Compound: bunamiodyl
SMILES: C=1(C=C(C(=C(C1/C=C(/C(O)=O)\CC)I)NC(=O)CCC)I)I
Compound: tyropanoate
SMILES: C(C(C(O)=O)CC)C1=C(I)C(NC(CCC)=O)=C(C=C1I)I
Compound: zorubicin
SMILES: OC=1C2=C([C@@H](O[C@]3(C[C@H](N)[C@@H]([C@@H](O3)C)O)[H])C[C@@](C2)(C(=NNC(=O)C4=CC=CC=C4)C)O)C(=C5C1C(=O)C=6C(C5=O)=C(OC)C=CC6)O
Compound: methylprednisolone suleptanate
SMILES: [Na+].[H][C@@]12CC[C@](O)(C(=O)COC(=O)CCCCCCC(=O)N(C)CCS([O-])(=O)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)C=C[C@]12C
Compound: bisoctrizole
SMILES: OC=1C(N2N=C3C(=N2)C=CC=C3)=CC(=CC1CC4=C(O)C(=CC(=C4)C(CC(C)(C)C)(C)C)N5N=C6C(=N5)C=CC=C6)C(CC(C)(C)C)(C)C
Compound: clindamycin palmitate
SMILES: [C@](NC(=O)[C@@H]1C[C@H](CN1C)CCC)([C@H](C)Cl)([C@]2(O[C@H](SC)[C@@H]([C@H]([C@H]2O)O)OC(CCCCCCCCCCCCCCC)=O)[H])[H]
Compound: etoposide phosphate
SMILES: O=C1[C@@]2([C@@H](C3=C([C@H]([C@]2(CO1)[H])O[C@@]4(O[C@]5([C@]([C@@H]([C@H]4O)O)(O[C@@H](OC5)C)[H])[H])[H])C=C6C(=C3)OCO6)C7=CC(OC)=C(C(=C7)OC)OP(=O)(O)O)[H]
Compound: cefpimizole
SMILES: C(O)(=O)C=1N2[C@@]([C@@H](C2=O)NC([C@H](NC(=O)C3=C(C(O)=O)NC=N3)C4=CC=CC=C4)=O)(SCC1C[N+]=5C=CC(=CC5)CCS(=O)(=O)[O-])[H]
Compound: iopronic acid
SMILES: N(C(C)=O)C1=C(I)C(OCCOCC(C(O)=O)CC)=C(C=C1I)I
Compound: thymopentin
SMILES: [H]N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCCN)C(N[C@@H](CC(O)=O)C(N[C@@H](C(C)C)C(N[C@@H](CC1=CC=C(O)C=C1)C(O)=O)=O)=O)=O)=O
Compound: prednisolone steaglate
SMILES: C[C@@]12[C@]([C@]3([C@]([C@H](C1)O)([C@]4(C)C(CC3)=CC(C=C4)=O)[H])[H])(CC[C@@]2(C(COC(COC(CCCCCCCCCCCCCCCCC)=O)=O)=O)O)[H]
Compound: enviomycin
SMILES: N1C(C(=CNC(N)=O)NC([C@H](CO)NC([C@H](CO)NC([C@H](CNC(=O)[C@@]1([C@]2(CCNC(=N2)N)[H])[H])NC(C[C@H]([C@@H](CCN)O)N)=O)=O)=O)=O)=O
Compound: glucosaminylmuramyl dipeptide
SMILES: O([C@@]([C@@H]([C@@H](NC(C)=O)C=O)O[C@@H](C(N[C@H](C(N[C@H](CCC(O)=O)C(N)=O)=O)C)=O)C)([C@@H](CO)O)[H])[C@H]1[C@H](NC(C)=O)[C@@H](O)[C@@H]([C@H](O1)CO)O
Compound: lucimycin
SMILES: C1(CC2(OC(C1C(=O)O)CC(O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N)O)C=CC=CC=CC=CCC(CCCC)OC(C=CC4C(O4)CC(C2)O)=O)O)O
Compound: talaporfin
SMILES: C(C(N[C@@H](CC(O)=O)C(O)=O)=O)C1=C2[C@@H](CCC(O)=O)[C@@H](C(=N2)C=C3NC(C(=C3C)C=C)=CC4=NC(=CC=5NC1=C(C(O)=O)C5C)C(CC)=C4C)C
Compound: valrubicin
SMILES: O([C@H]1C[C@H](NC(C(F)(F)F)=O)[C@@H]([C@@H](O1)C)O)[C@@H]2C3=C(C(O)=C4C(=C3O)C(=O)C=5C(C4=O)=CC=CC5OC)C[C@](C2)(C(COC(CCCC)=O)=O)O
Compound: petrichloral
SMILES: C(COC(C(Cl)(Cl)Cl)O)(COC(C(Cl)(Cl)Cl)O)(COC(C(Cl)(Cl)Cl)O)COC(C(Cl)(Cl)Cl)O
Compound: glucosulfone
SMILES: C1=CC(=CC=C1S(C=2C=CC(=CC2)NC(S(O)(=O)=O)[C@@H]([C@@H](O)[C@@H]([C@H](O)CO)O)O)(=O)=O)NC([C@@H]([C@@H](O)[C@@H]([C@H](O)CO)O)O)S(O)(=O)=O
Compound: Streptomycin B
SMILES: O([C@]1([C@@H](NC)[C@H](O)[C@H]([C@@H](O1)CO)O[C@]2(O[C@@H](CO)[C@H]([C@@H]([C@@H]2O)O)O)[H])[H])[C@H]3[C@H](O[C@@]4([C@@H](NC(=N)N)[C@H](O)[C@H]([C@@H]([C@H]4O)O)NC(=N)N)[H])O[C@H]([C@@]3(C=O)O)C
Compound: benzquercin
SMILES: O(CC1=CC=CC=C1)C2=C3C(OC(=C(C3=O)OCC4=CC=CC=C4)C5=CC(OCC6=CC=CC=C6)=C(C=C5)OCC7=CC=CC=C7)=CC(=C2)OCC8=CC=CC=C8
Compound: davercin
SMILES: C[C@@]12[C@](OC(O1)=O)([C@@H](C)C(=O)[C@H](C)C[C@@](C)(O)[C@@H]([C@H]([C@@H]([C@](C(O[C@@H]2CC)=O)(C)[H])O[C@]3(C[C@](OC)(C)[C@H]([C@@H](O3)C)O)[H])C)O[C@]4([C@H](O)[C@@H](N(C)C)C[C@H](O4)C)[H])[H]
Compound: erythromycin acistrate
SMILES: O([C@]1([C@H](OC(C)=O)[C@@H](N(C)C)C[C@H](O1)C)[H])[C@@H]2[C@@H](C)[C@H](O[C@]3(C[C@](OC)(C)[C@H]([C@@H](O3)C)O)[H])[C@@H](C)C(=O)O[C@H](CC)[C@@]([C@@H]([C@H](C([C@@H](C[C@@]2(C)O)C)=O)C)O)(C)O
Compound: canfosfamide
SMILES: P(N(CCCl)CCCl)(N(CCCl)CCCl)(OCCS(C[C@@H](C(N[C@@H](C(O)=O)C1=CC=CC=C1)=O)NC(CC[C@@H](C(O)=O)N)=O)(=O)=O)=O
Compound: ioxilan
SMILES: N(CC(CO)O)(C(C)=O)C1=C(I)C(C(NCC(CO)O)=O)=C(C(=C1I)C(NCCO)=O)I
Compound: metildigoxin
SMILES: O[C@@]12[C@@](C)([C@H](CC1)C3=CC(OC3)=O)[C@H](O)C[C@]4([C@]2(CC[C@]5([C@]4(C)CC[C@@H](C5)O[C@]6(C[C@H](O)[C@@H]([C@H](O6)C)O[C@]7(C[C@H](O)[C@@H]([C@H](O7)C)O[C@]8(C[C@H](O)[C@@H]([C@H](O8)C)OC)[H])[H])[H])[H])[H])[H]
Compound: bisdequalinium chloride
SMILES: CC1=[N+]2C3=C(C(=C1)NCCCCCCCCCCNC=4C=5C([N+](CCCCCCCCCC2)=C(C)C4)=CC=CC5)C=CC=C3
Compound: solasulfone
SMILES: C(CC(NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)NC(CC(S(=O)(=O)O)C3=CC=CC=C3)S(=O)(=O)O)S(=O)(=O)O)(S(=O)(=O)O)C4=CC=CC=C4
Compound: pimecrolimus
SMILES: O(C)[C@@H]1[C@@]2(O[C@@]([C@@H](C1)C)(O)C(=O)C(=O)N3[C@](C(=O)O[C@H](/C(=C/[C@H]4C[C@@H](OC)[C@H](CC4)Cl)/C)[C@@H]([C@H](CC([C@@H](C=C(C[C@@H](C[C@@H]2OC)C)C)CC)=O)O)C)(CCCC3)[H])[H]
Compound: sorbinicate
SMILES: [C@@]([C@@H]([C@H](OC(=O)C=1C=CC=NC1)COC(=O)C=2C=CC=NC2)OC(=O)C=3C=CC=NC3)([C@@H](OC(=O)C=4C=CC=NC4)COC(=O)C=5C=CC=NC5)(OC(=O)C=6C=CC=NC6)[H]
Compound: pralmorelin
SMILES: C[C@@H](N)C(N[C@H](CC=1C=C2C(=CC1)C=CC=C2)C(N[C@@H](C)C(N[C@@H](CC3=CNC4=C3C=CC=C4)C(N[C@H](CC5=CC=CC=C5)C(N[C@@H](CCCCN)C(N)=O)=O)=O)=O)=O)=O
Compound: etiroxate
SMILES: O(C1=C(I)C=C(C=C1I)CC(C(OCC)=O)(N)C)C2=CC(I)=C(C(=C2)I)O
Compound: acetyldigoxin
SMILES: O[C@@]12[C@]3([C@@]([C@]4(C)[C@](CC3)(C[C@H](CC4)O[C@]5(C[C@H](O)[C@@H]([C@H](O5)C)O[C@]6(C[C@H](O)[C@@H]([C@H](O6)C)O[C@]7(C[C@H](O)[C@@H]([C@H](O7)C)OC(C)=O)[H])[H])[H])[H])(C[C@H]([C@]1(C)[C@H](CC2)C=8COC(C8)=O)O)[H])[H]
Compound: iopentol
SMILES: N(CC(COC)O)(C(C)=O)C1=C(I)C(C(NCC(CO)O)=O)=C(C(=C1I)C(NCC(CO)O)=O)I
Compound: saralasin
SMILES: C(N[C@@H](CCCNC(N)=N)C(N[C@@H](C(C)C)C(N[C@@H](CC1=CC=C(O)C=C1)C(N[C@@H](C(C)C)C(N[C@@H](CC2=CNC=N2)C(N3CCC[C@H]3C(N[C@@H](C)C(O)=O)=O)=O)=O)=O)=O)=O)(=O)CNC
Compound: cargutocin
SMILES: C1(N[C@@H](CC2=CC=C(O)C=C2)C(N[C@@H]([C@H](CC)C)C(N[C@@H](CCC(N)=O)C(N[C@@H](CC(N)=O)C(N[C@](C(NCC(N[C@@H](CC(C)C)C(NCC(N)=O)=O)=O)=O)(CCCCC1)[H])=O)=O)=O)=O)=O
Compound: gitoformate
SMILES: O[C@@]12[C@@](C)([C@H]([C@H](C1)OC=O)C3=CC(OC3)=O)CC[C@]4([C@]2(CC[C@]5([C@]4(C)CC[C@@H](C5)O[C@H]6C[C@H](OC=O)[C@@H]([C@H](O6)C)O[C@@H]7C[C@@H](OC=O)[C@H]([C@@H](O7)C)O[C@H]8C[C@H](OC=O)[C@@H]([C@H](O8)C)OC=O)[H])[H])[H]
Compound: zotarolimus
SMILES: O(C)[C@H]1[C@H](CC[C@H](C1)C[C@@H](C)[C@]2(OC(=O)[C@]3(N(C(=O)C(=O)[C@]4(O)O[C@](C[C@H](OC)C(C)=CC=CC=C[C@H](C[C@H](C([C@@H]([C@@H](C(=C[C@H](C(C2)=O)C)C)O)OC)=O)C)C)(CC[C@H]4C)[H])CCCC3)[H])[H])N5C=NN=N5
Compound: lanatoside C
SMILES: O[C@@]12[C@@](C)([C@H](CC1)C=3COC(C3)=O)[C@H](O)C[C@]4([C@]2(CC[C@]5([C@]4(C)CC[C@@H](C5)O[C@]6(C[C@H](O)[C@@H]([C@H](O6)C)O[C@]7(C[C@H](O)[C@@H]([C@H](O7)C)O[C@]8(C[C@H](OC(C)=O)[C@@H]([C@H](O8)C)O[C@]9(O[C@H](CO)[C@H]([C@@H]([C@H]9O)O)O)[H])[H])[H])[H])[H])[H])[H]
Compound: atosiban
SMILES: C1=C(C=CC(=C1)OCC)C[C@H]2NC(=O)CCSSC[C@H](NC([C@@H](NC([C@@](NC([C@@](NC2=O)([C@@H](C)CC)[H])=O)([C@@H](C)O)[H])=O)CC(N)=O)=O)C(N3CCC[C@H]3C(N[C@H](C(=O)NCC(=O)N)CCCN)=O)=O
Compound: demoxytocin
SMILES: [H][C@]1(NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)[C@@H](C)CC
Compound: lanreotide
SMILES: C(N[C@H]1CSSC[C@H](NC([C@H](C(C)C)NC([C@H](CCCCN)NC([C@H](NC([C@@H](NC1=O)CC2=CC=C(O)C=C2)=O)CC3=CNC4=C3C=CC=C4)=O)=O)=O)C(N[C@@H]([C@@H](C)O)C(N)=O)=O)(=O)[C@](N)([H])CC=5C=C6C=CC=CC6=CC5
Compound: ioglycamic acid
SMILES: N(C(COCC(NC1=C(I)C(C(O)=O)=C(C=C1I)I)=O)=O)C2=C(I)C(C(O)=O)=C(C=C2I)I
Compound: eledoisin
SMILES: C(N1CCC[C@H]1C(N[C@@H](CO)C(N[C@@H](CCCCN)C(N[C@@H](CC(O)=O)C(N[C@@H](C)C(N[C@@H](CC2=CC=CC=C2)C(N[C@@H]([C@H](CC)C)C(NCC(N[C@@H](CC(C)C)C(N[C@@H](CCSC)C(N)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)(=O)[C@H]3NC(CC3)=O
Compound: teicoplanin aglycone
SMILES: OC1=C2C([C@@](C(O)=O)(NC(=O)[C@@]3([C@H](O)C4=CC(Cl)=C(C=C4)OC5=CC=6[C@](C(N[C@](C7=CC2=C(O)C=C7)(C(N3)=O)[H])=O)(NC(=O)[C@@]8(C=9C=C(OC=%10C=C([C@H](C(N[C@@](C(N8)=O)(CC=%11C=C(C(OC(C6)=C5O)=CC%11)Cl)[H])=O)N)C=CC%10O)C=C(C9)O)[H])[H])[H])[H])=CC(=C1)O
Compound: terlipressin
SMILES: [H]NCC(NCC(NCC(N[C@H]1CSSC[C@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC1=O)CC2=CC=C(O)C=C2)=O)CC3=CC=CC=C3)=O)CCC(N)=O)=O)CC(N)=O)=O)C(N4CCC[C@H]4C(N[C@@H](CCCCN)C(NCC(N)=O)=O)=O)=O)=O)=O)=O
Compound: mifamurtide
SMILES: [C@H](O[C@@H]1[C@H](C(O[C@@H]([C@H]1O)CO)O)NC(=O)C)(C(N[C@H](C(N[C@H](CCC(N[C@H](C(NCCOP(OC[C@H](OC(CCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O)(=O)O)=O)C)=O)C(N)=O)=O)C)=O)C
Compound: buserelin
SMILES: C([C@H](NC([C@H](CC1=CNC=N1)NC(=O)[C@@H]2CCC(N2)=O)=O)C(N[C@H](C(N[C@@H](CC3=CC=C(C=C3)O)C(N[C@@H](C(N[C@H](C(N[C@H](C(=O)N4[C@H](C(NCC)=O)CCC4)CCCNC(=N)N)=O)CC(C)C)=O)COC(C)(C)C)=O)=O)CO)=O)C=5C6=C(NC5)C=CC=C6
Compound: depreotide
SMILES: C1(N([C@@H](CC2=CC=CC=C2)C(N[C@@H](CC3=CC=C(O)C=C3)C(N[C@H](CC4=CNC5=C4C=CC=C5)C(N[C@@H](CCCCN)C(N[C@@H](C(C)C)C(N[C@]1(CCSCC(NC[C@H](N)C(N[C@@H](CCCCN)C(N[C@@H](CS)C(N[C@@H](CCCCN)C(N)=O)=O)=O)=O)=O)[H])=O)=O)=O)=O)=O)C)=O
Compound: peplomycin
SMILES: [C@H]([C@](NC(=O)C1=NC(=NC(=C1C)N)[C@@H](NC[C@@H](C(N)=O)N)CC(N)=O)(C(N[C@@H]([C@H]([C@@H](C(N[C@](C(NCCC2=NC(=CS2)C3=NC(=CS3)C(NCCCN[C@@H](C)C4=CC=CC=C4)=O)=O)([C@@H](C)O)[H])=O)C)O)C)=O)[H])(O[C@H]5[C@@H](O[C@@]6([C@@H](O)[C@@H](OC(N)=O)[C@@H]([C@H](O6)CO)O)[H])[C@@H](O)[C@@H]([C@@H](O5)CO)O)C7=CNC=N7
Compound: ganirelix
SMILES: C([C@@H](NC([C@@H](NC([C@H](NC([C@H](CC1=CC=C(C=C1)O)NC([C@@H](NC([C@H](NC([C@@H](CC2=CC=C(C=C2)Cl)NC([C@@H](CC3=CC=4C(C=C3)=CC=CC4)NC(C)=O)=O)=O)CC=5C=CC=NC5)=O)CO)=O)=O)CCCCN=C(NCC)NCC)=O)CC(C)C)=O)CCCCN=C(NCC)NCC)(=O)N6[C@H](C(N[C@@H](C(N)=O)C)=O)CCC6
Compound: alsactide
SMILES: C(N[C@@H](CC1=CC=C(O)C=C1)C(N[C@@H](CO)C(N[C@@H](CCSC)C(N[C@@H](CCC(O)=O)C(N[C@@H](CC2=CNC=N2)C(N[C@@H](CC3=CC=CC=C3)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CC4=CNC5=C4C=CC=C5)C(NCC(N[C@@H](CCCCN)C(N6CCC[C@H]6C(N[C@@H](C(C)C)C(NCC(N[C@@H](CCCCN)C(N[C@@H](CCCCN)C(N[C@@H](CCCCN)C(NCCCCN)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)(=O)CCN
Compound: secretin (human)
SMILES: CC(C)CC(NC(=O)CNC(=O)C(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(N)=N)NC(=O)C(C)NC(=O)CNC(=O)C(CCC(O)=O)NC(=O)C(CCCNC(N)=N)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(N)=N)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CCC(O)=O)NC(=O)C(CO)NC(=O)C(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(NC(=O)CNC(=O)C(CC(O)=O)NC(=O)C(CO)NC(=O)C(N)CC1=CNC=N1)C(C)O)C(C)O)C(=O)NC(C(C)C)C(N)=O
Compound: carperitide
SMILES: [H]N[C@@H](CO)C(N[C@@H](CC(C)C)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CO)C(N[C@@H](CO)C(N[C@H]1CSSC[C@H](NC(CNC([C@H](CC(C)C)NC(CNC([C@@H](NC([C@@H](NC([C@H](C)NC(CNC([C@H]([C@H](CC)C)NC([C@@H](NC([C@@H](NC([C@H](CCSC)NC([C@@H](NC(CNC(CNC([C@@H](NC1=O)CC2=CC=CC=C2)=O)=O)=O)CCCNC(N)=N)=O)=O)CC(O)=O)=O)CCCNC(N)=N)=O)=O)=O)=O)CCC(N)=O)=O)CO)=O)=O)=O)=O)C(N[C@@H](CC(N)=O)C(N[C@@H](CO)C(N[C@@H](CC3=CC=CC=C3)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CC4=CC=C(O)C=C4)C(O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O
Compound: thymalfasin
SMILES: C(N[C@@H](CO)C(N[C@@H](CC(O)=O)C(N[C@@H](C)C(N[C@@H](C)C(N[C@@H](C(C)C)C(N[C@@H](CC(O)=O)C(N[C@@H]([C@@H](C)O)C(N[C@@H](CO)C(N[C@@H](CO)C(N[C@@H](CCC(O)=O)C(N[C@@H]([C@H](CC)C)C(N[C@@H]([C@@H](C)O)C(N[C@@H]([C@@H](C)O)C(N[C@@H](CCCCN)C(N[C@@H](CC(O)=O)C(N[C@@H](CC(C)C)C(N[C@@H](CCCCN)C(N[C@@H](CCC(O)=O)C(N[C@@H](CCCCN)C(N[C@@H](CCCCN)C(N[C@@H](CCC(O)=O)C(N[C@@H](C(C)C)C(N[C@@H](C(C)C)C(N[C@@H](CCC(O)=O)C(N[C@@H](CCC(O)=O)C(N[C@@H](C)C(N[C@@H](CCC(O)=O)C(N[C@@H](CC(N)=O)C(O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)(C)=O
Compound: elcatonin
SMILES: N1C(=O)CCCCCC(C(=O)N[C@H](C(N[C@H](C(NCC(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N2[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(NCC(N[C@H](C(NCC(N[C@H](C(N3[C@H](C(N)=O)CCC3)=O)[C@H](O)C)=O)=O)C)=O)=O)C(C)C)=O)CC(O)=O)=O)[C@H](O)C)=O)CCCNC(N)=N)=O)CCC2)=O)CC4=CC=C(O)C=C4)=O)[C@H](O)C)=O)CCC(N)=O)=O)CC(C)C)=O)CCCCN)=O)CC5=CNC=N5)=O)CC(C)C)=O)CCC(O)=O)=O)CCC(N)=O)=O)CO)=O)CC(C)C)=O)CCCCN)=O)=O)CC(C)C)=O)C(C)C)NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H]1CO)=O)CC(N)=O)=O)CC(C)C)=O)CO)=O)[C@H](O)C)=O
Compound: calcitonin (pork natural)
SMILES: [H]N[C@H]1CSSC[C@H](NC([C@H]([C@@H](C)O)NC([C@@H](NC([C@H](CC(C)C)NC([C@@H](NC([C@@H](NC1=O)CO)=O)CC(N)=O)=O)=O)CO)=O)=O)C(N[C@@H](CC(C)C)C(N[C@@H](CC(C)C)C(N[C@@H](CO)C(N[C@@H](C)C(N[C@@H](CC2=CC=C(O)C=C2)C(N[C@@H](CC3=CNC4=C3C=CC=C4)C(N[C@@H](CCCCN)C(N[C@@H](CC(O)=O)C(N[C@@H](CC(C)C)C(N[C@@H](CC(N)=O)C(N[C@@H](CC(N)=O)C(N[C@@H](CC5=CC=C(O)C=C5)C(N[C@@H](CC6=CNC=N6)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CC7=CC=CC=C7)C(N[C@@H](CO)C(NCC(N[C@@H](CCSC)C(NCC(N[C@@H](CC8=CC=CC=C8)C(NCC(N9CCC[C@H]9C(N[C@@H](CCC(O)=O)C(N[C@@H]([C@@H](C)O)C(N%10CCC[C@H]%10C(N)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O
Compound: chidamide
SMILES: C1=CN=CC(=C1)/C=C/C(NCC2=CC=C(C=C2)C(NC=3C(=CC(=CC3)F)N)=O)=O
Compound: nesiritide
SMILES: [H]N[C@@H](CO)C(N1CCC[C@H]1C(N[C@@H](CCCCN)C(N[C@@H](CCSC)C(N[C@@H](C(C)C)C(N[C@@H](CCC(N)=O)C(NCC(N[C@@H](CO)C(NCC(N[C@H]2CSSC[C@H](NC(CNC([C@H](CC(C)C)NC(CNC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H]([C@H](CC)C)NC([C@@H](NC([C@@H](NC([C@H](CCSC)NC([C@H](CCCCN)NC([C@@H](NC(CNC([C@@H](NC2=O)CC3=CC=CC=C3)=O)=O)CCCNC(N)=N)=O)=O)=O)CC(O)=O)=O)CCCNC(N)=N)=O)=O)CO)=O)CO)=O)CO)=O)CO)=O)=O)=O)=O)C(N[C@@H](CCCCN)C(N[C@@H](C(C)C)C(N[C@@H](CC(C)C)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CC4=CNC=N4)C(O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O
Compound: fesoterodine
SMILES: [C@H](CCN(C(C)C)C(C)C)(C1=C(OC(C(C)C)=O)C=CC(=C1)CO)C2=CC=CC=C2
Compound: artenimol
SMILES: C[C@@H]1[C@]2([C@]34[C@](O[C@@H]1O)(O[C@](OO3)(CC[C@]4([C@@H](CC2)C)[H])C)[H])[H]
Compound: pramlintide
SMILES: [H]N[C@@H](CCCCN)C(N[C@H]1CSSC[C@H](NC([C@H]([C@@H](C)O)NC([C@H](C)NC([C@H]([C@@H](C)O)NC([C@@H](NC1=O)CC(N)=O)=O)=O)=O)=O)C(N[C@@H](C)C(N[C@@H]([C@@H](C)O)C(N[C@@H](CCC(N)=O)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CC(C)C)C(N[C@@H](C)C(N[C@@H](CC(N)=O)C(N[C@@H](CC2=CC=CC=C2)C(N[C@@H](CC(C)C)C(N[C@@H](C(C)C)C(N[C@@H](CC3=CNC=N3)C(N[C@@H](CO)C(N[C@@H](CO)C(N[C@@H](CC(N)=O)C(N[C@@H](CC(N)=O)C(N[C@@H](CC4=CC=CC=C4)C(NCC(N5CCC[C@H]5C(N[C@@H]([C@H](CC)C)C(N[C@@H](CC(C)C)C(N6CCC[C@H]6C(N7CCC[C@H]7C(N[C@@H]([C@@H](C)O)C(N[C@@H](CC(N)=O)C(N[C@@H](C(C)C)C(NCC(N[C@@H](CO)C(N[C@@H](CC(N)=O)C(N[C@@H]([C@@H](C)O)C(N[C@@H](CC8=CC=C(O)C=C8)C(N)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O
Compound: migalastat
SMILES: [C@H]1([C@H]([C@H]([C@H](NC1)CO)O)O)O
Compound: amfecloral
SMILES: C1=CC=CC=C1CC(/N=C/C(Cl)(Cl)Cl)C
Compound: lisdexamfetamine
SMILES: C([C@@H](NC([C@H](CCCCN)N)=O)C)C1=CC=CC=C1
Compound: udenafil
SMILES: CCCOC1=CC=C(C=C1C2=NC(=O)C=3N(C)N=C(CCC)C3N2)S(=O)(=O)NCCC4CCCN4C
Compound: epicriptine
SMILES: O[C@]12N(C([C@@](NC(=O)[C@@H]3C[C@@]4(C5=C6C(=CNC6=CC=C5)C[C@@]4([H])N(C)C3)[H])(C(C)C)O1)=O)[C@@]([C@@H](CC)C)(C(=O)N7CCC[C@@]27[H])[H]
Compound: doripenem
SMILES: C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(S[C@@H]3CN[C@@H](C3)CNS(N)(=O)=O)=C(N2C1=O)C(O)=O
Compound: silodosin
SMILES: C[C@H](CC1=CC=2CCN(CCCO)C2C(=C1)C(N)=O)NCCOC3=CC=CC=C3OCC(F)(F)F
Compound: lercanidipine
SMILES: C1(C(=C(NC(=C1C(=O)OC(C)(C)CN(C)CCC(C2=CC=CC=C2)C3=CC=CC=C3)C)C)C(=O)OC)C4=CC=CC(=C4)[N+](=O)[O-]
Compound: dexlansoprazole
SMILES: CC1=C(OCC(F)(F)F)C=CN=C1C[S@@](=O)C2=NC3=C(N2)C=CC=C3
Compound: Padimate O
SMILES: C(OCC(CCCC)CC)(=O)C1=CC=C(C=C1)N(C)C
Compound: tapentadol
SMILES: [C@H]([C@H](CN(C)C)C)(CC)C1=CC(O)=CC=C1
Compound: enzacamene
SMILES: C\1(C2(CCC(/C1=C\C=3C=CC(=CC3)C)([H])C2(C)C)C)=O
Compound: lasofoxifene
SMILES: [H][C@@]1(CCC2=CC(O)=CC=C2[C@@]1([H])C1=CC=C(OCCN2CCCC2)C=C1)C1=CC=CC=C1
Compound: lacosamide
SMILES: C(NC([C@H](NC(C)=O)COC)=O)C1=CC=CC=C1
Compound: olaflur
SMILES: N(CCCN(CCO)CCO)(CCCCCCCCCCCCCCCCCC)CCO
Compound: 4-dimethylaminophenol
SMILES: C=1C=C(C=CC1N(C)C)O
Compound: laropiprant
SMILES: C(N1C=2C(C3=C1[C@@H](CC(O)=O)CC3)=CC(=CC2S(C)(=O)=O)F)C4=CC=C(C=C4)Cl
Compound: (2-benzhydryloxyethyl)diethyl-methylammonium iodide
SMILES: C(OCC[N+](CC)(CC)C)(C1=CC=CC=C1)C2=CC=CC=C2
Compound: 2-(4-chlorphenoxy)-ethanol
SMILES: O(CCO)C1=CC=C(C=C1)Cl
Compound: pixantrone
SMILES: N(CCN)C=1C2=C(C(=CC1)NCCN)C(=O)C=3C(C2=O)=CC=NC3
Compound: sincalide
SMILES: N(C([C@@H](N[H])CC(O)=O)=O)[C@@H](CC1=CC=C(OS(=O)(=O)O)C=C1)C(N[C@@H](CCSC)C(NCC(N[C@@H](CC2=CNC3=C2C=CC=C3)C(N[C@@H](CCSC)C(N[C@@H](CC(O)=O)C(N[C@@H](CC4=CC=CC=C4)C(N)=O)=O)=O)=O)=O)=O)=O
Compound: bazedoxifene
SMILES: C(N1C(=C(C2=C1C=CC(=C2)O)C)C3=CC=C(C=C3)O)C4=CC=C(C=C4)OCCN5CCCCCC5
Compound: amifampridine
SMILES: NC=1C(N)=CN=CC1
Compound: ambrisentan
SMILES: C([C@H](OC=1N=C(C)C=C(N1)C)C(O)=O)(OC)(C2=CC=CC=C2)C3=CC=CC=C3
Compound: angiotensinamide
SMILES: [H]N[C@@H](CC(N)=O)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](C(C)C)C(N[C@@H](CC1=CC=C(O)C=C1)C(N[C@@H](C(C)C)C(N[C@@H](CC2=CNC=N2)C(N3CCC[C@H]3C(N[C@@H](CC4=CC=CC=C4)C(O)=O)=O)=O)=O)=O)=O)=O)=O
Compound: pyronaridine
SMILES: N(C=1C=2C(N=C3C1C=CC(=C3)Cl)=CC=C(N2)OC)C4=CC(CN5CCCC5)=C(C(=C4)CN6CCCC6)O
Compound: zucapsaicin
SMILES: C=1C(=CC=C(C1OC)O)CNC(CCCC/C=C\C(C)C)=O
Compound: bibrocathol
SMILES: BrC=1C2=C(C(=C(C1Br)Br)Br)O[Bi](O2)O
Compound: bilastine
SMILES: C(COCC)N1C(=NC2=C1C=CC=C2)C3CCN(CC3)CCC4=CC=C(C=C4)C(C(O)=O)(C)C
Compound: bisoxatin
SMILES: O=C1C(OC2=C(N1)C=CC=C2)(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O
Compound: vernakalant
SMILES: O(CCC1=CC(OC)=C(C=C1)OC)[C@H]2[C@@H](CCCC2)N3CC[C@H](C3)O
Compound: voclosporin
SMILES: [C@H]([C@@H](C/C=C/C=C)C)(O)[C@@]1(N(C)C(=O)[C@](C(C)C)(N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC([C@@H](N(C([C@@](NC([C@@H](N(C(CN(C([C@@H](NC1=O)CC)=O)C)=O)C)CC(C)C)=O)(C(C)C)[H])=O)C)CC(C)C)=O)[H])[H]
Compound: desaspidin
SMILES: C(C1=C(OC)C=C(C(=C1O)C(CCC)=O)O)C=2C(=O)C(C(CCC)=O)=C(C(C2O)(C)C)O
Compound: degarelix
SMILES: C(N[C@@H](C(N[C@H](CC1=CC=C(C=C1)Cl)C(N[C@H](CC2=CN=CC=C2)C(N[C@@H](CO)C(N[C@@H](CC3=CC=C(C=C3)NC([C@@]4(CC(NC(N4)=O)=O)[H])=O)C(N[C@H](CC5=CC=C(C=C5)NC(N)=O)C(N[C@@H](CC(C)C)C(N[C@@H](CCCCNC(C)C)C(N6CCC[C@H]6C(N[C@H](C)C(N)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)CC7=CC8=C(C=C7)C=CC=C8)(=O)C
Compound: dapoxetine
SMILES: O(CC[C@H](N(C)C)C1=CC=CC=C1)C=2C3=C(C=CC2)C=CC=C3
Compound: clefamide
SMILES: O(C1=CC=C(C=C1)CN(C(C(Cl)Cl)=O)CCO)C2=CC=C(C=C2)[N+](=O)[O-]
Compound: clevudine
SMILES: F[C@H]1[C@H](O[C@H]([C@@H]1O)CO)N2C(=O)NC(C(=C2)C)=O
Compound: clodantoin
SMILES: C(CCCC)(CC)C1C(=O)N(C(N1)=O)SC(Cl)(Cl)Cl
Compound: carisbamate
SMILES: [C@H](COC(N)=O)(O)C1=C(Cl)C=CC=C1
Compound: casopitant
SMILES: C1CN(CCN1[C@@H]2C[C@@H](N(CC2)C(N([C@@H](C=3C=C(C=C(C3)C(F)(F)F)C(F)(F)F)C)C)=O)C4=C(C=C(C=C4)F)C)C(C)=O
Compound: ceftobiprole medocaril
SMILES: C=1(N2[C@](SCC1/C=C/3\CCN(C3=O)[C@]4(CN(CC4)C(OCC=5OC(OC5C)=O)=O)[H])([C@@](C2=O)(NC(/C(/C6=NSC(=N6)N)=N\O)=O)[H])[H])C(O)=O
Compound: difetarsone
SMILES: [As](=O)(O)(O)C1=CC=C(C=C1)NCCNC2=CC=C(C=C2)[As](=O)(O)O
Compound: diiodohydroxypropane
SMILES: C(CI)(CI)O
Compound: etilevodopa
SMILES: C([C@@H](C(OCC)=O)N)C1=CC(O)=C(C=C1)O
Compound: etybenzatropine
SMILES: C(O[C@H]1C[C@@H]2N(CC)[C@@H](CC2)C1)(C3=CC=CC=C3)C4=CC=CC=C4
Compound: calcitonin (human synthetic)
SMILES: [H]N[C@H]1CSSC[C@H](NC([C@H]([C@@H](C)O)NC([C@@H](NC([C@H](CC(C)C)NC([C@@H](NC(CNC1=O)=O)CC(N)=O)=O)=O)CO)=O)=O)C(N[C@@H](CCSC)C(N[C@@H](CC(C)C)C(NCC(N[C@@H]([C@@H](C)O)C(N[C@@H](CC2=CC=C(O)C=C2)C(N[C@@H]([C@@H](C)O)C(N[C@@H](CCC(N)=O)C(N[C@@H](CC(O)=O)C(N[C@@H](CC3=CC=CC=C3)C(N[C@@H](CC(N)=O)C(N[C@@H](CCCCN)C(N[C@@H](CC4=CC=CC=C4)C(N[C@@H](CC5=CNC=N5)C(N[C@@H]([C@@H](C)O)C(N[C@@H](CC6=CC=CC=C6)C(N7CCC[C@H]7C(N[C@@H](CCC(N)=O)C(N[C@@H]([C@@H](C)O)C(N[C@@H](C)C(N[C@@H]([C@H](CC)C)C(NCC(N[C@@H](C(C)C)C(NCC(N[C@@H](C)C(N8CCC[C@H]8C(N)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O
Compound: meradimate
SMILES: C(C)(C)C1C(OC(=O)C2=C(N)C=CC=C2)CC(CC1)C
Compound: sulfisoxazole acetyl
SMILES: N(S(=O)(=O)C1=CC=C(C=C1)N)(C(C)=O)C2=C(C)C(=NO2)C
Compound: menthyl salicylate
SMILES: C(C)(C)[C@H]1[C@H](OC(=O)C2=C(O)C=CC=C2)C[C@@H](CC1)C
Compound: dodeclonium bromide
SMILES: [Br-].CCCCCCCCCCCC[N+](C)(C)CCOC1=CC=C(Cl)C=C1
Compound: domiphen
SMILES: O(CC[N+](CCCCCCCCCCCC)(C)C)C1=CC=CC=C1
Compound: droxypropine
SMILES: C(CC)(=O)C1(CCN(CC1)CCOCCO)C2=CC=CC=C2
Compound: ammonia-(13)N
SMILES: N([H])([H])[H]
Compound: estradiol acetate
SMILES: C[C@@]12[C@]([C@]3([C@](CC1)(C4=C(CC3)C=C(C=C4)OC(C)=O)[H])[H])(CC[C@@H]2O)[H]
Compound: amiloxate
SMILES: C(=CC(OCCC(C)C)=O)C1=CC=C(C=C1)OC
Compound: teriparatide
SMILES: [H]N[C@@H](CO)C(N[C@@H](C(C)C)C(N[C@@H](CO)C(N[C@@H](CCC(O)=O)C(N[C@@H]([C@H](CC)C)C(N[C@@H](CCC(N)=O)C(N[C@@H](CC(C)C)C(N[C@@H](CCSC)C(N[C@@H](CC1=CNC=N1)C(N[C@@H](CC(N)=O)C(N[C@@H](CC(C)C)C(NCC(N[C@@H](CCCCN)C(N[C@@H](CC2=CNC=N2)C(N[C@@H](CC(C)C)C(N[C@@H](CC(N)=O)C(N[C@@H](CO)C(N[C@@H](CCSC)C(N[C@@H](CCC(O)=O)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](C(C)C)C(N[C@@H](CCC(O)=O)C(N[C@@H](CC3=CNC4=C3C=CC=C4)C(N[C@@H](CC(C)C)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCCN)C(N[C@@H](CCCCN)C(N[C@@H](CC(C)C)C(N[C@@H](CCC(N)=O)C(N[C@@H](CC(O)=O)C(N[C@@H](C(C)C)C(N[C@@H](CC5=CNC=N5)C(N[C@@H](CC(N)=O)C(N[C@@H](CC6=CC=CC=C6)C(O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O
Compound: fazadinium
SMILES: N(=N/[N+]=1C(=C(N2C1C=CC=C2)C)C3=CC=CC=C3)\[N+]=4C(=C(N5C4C=CC=C5)C)C6=CC=CC=C6
Compound: fluclorolone
SMILES: Cl[C@@]12[C@]([C@]3([C@@](C[C@@H]1Cl)(C)[C@]([C@@H](C3)O)(C(CO)=O)O)[H])(C[C@@H](C=4[C@]2(C)C=CC(C4)=O)F)[H]
Compound: flumedroxone
SMILES: C[C@@]12[C@@]3([C@]([C@]4([C@@](CC3)(C)[C@](CC4)(C(C)=O)O)[H])(C[C@@H](C1=CC(CC2)=O)C(F)(F)F)[H])[H]
Compound: fluoroethylcholine (18F)
SMILES: [N+](CCF)(CCO)(C)C
Compound: fluprednidene
SMILES: F[C@@]12[C@]([C@]3([C@@](C[C@@H]1O)(C)[C@](C(C3)=C)(C(CO)=O)O)[H])(CCC=4[C@]2(C)C=CC(C4)=O)[H]
Compound: gepirone
SMILES: CC1(C)CC(=O)N(CCCCN2CCN(CC2)C2=NC=CC=N2)C(=O)C1
Compound: gestonorone
SMILES: C[C@@]12[C@]([C@]3([C@](CC1)([C@@]4(C(CC3)=CC(CC4)=O)[H])[H])[H])(CC[C@@]2(C(C)=O)O)[H]
Compound: guanoclor
SMILES: O(CCNNC(=N)N)C1=C(Cl)C=CC=C1Cl
Compound: nomegestrol
SMILES: C[C@@]12[C@]([C@]3([C@](CC1)([C@@]4(C(C(=C3)C)=CC(CC4)=O)[H])[H])[H])(CC[C@@]2(C(C)=O)O)[H]
Compound: hydroquinine
SMILES: [C@@H](O)(C=1C=2C(=CC=C(C2)OC)N=CC1)[C@]3(N4C[C@@H]([C@H](C3)CC4)CC)[H]
Compound: hydroxyethylpromethazine
SMILES: C(C([N+](CCO)(C)C)C)N1C2=C(SC=3C1=CC=CC3)C=CC=C2
Compound: ibacitabine
SMILES: O=C1N(C=C(C(=N1)N)I)[C@@H]2O[C@@H]([C@H](C2)O)CO
Compound: iobenguane (131I)
SMILES: C(NC(=N)N)C1=CC([131I])=CC=C1
Compound: iodocholesterol (131I)
SMILES: C([131I])[C@@]12[C@@]3([C@]([C@]4([C@@](CC3)(C)[C@](CC4)([C@@H](CCCC(C)C)C)[H])[H])(CC=C1C[C@H](CC2)O)[H])[H]
Compound: ioglicic acid
SMILES: C(NCC(NC)=O)(=O)C1=C(I)C(NC(C)=O)=C(C(=C1I)C(O)=O)I
Compound: iopydol
SMILES: C(C(CO)O)N1C=C(I)C(C(=C1)I)=O
Compound: itramin tosilate
SMILES: NCCO[N+]([O-])=O.CC1=CC=C(C=C1)S(O)(=O)=O
Compound: levomethadone
SMILES: CCC(=O)C(C[C@@H](C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1
Compound: linsidomine
SMILES: C1CN(CCO1)[N+]2=CC(O[N-]2)=N
Compound: mannosulfan
SMILES: [C@H]([C@H]([C@@H]([C@@H](COS(C)(=O)=O)OS(C)(=O)=O)O)O)(COS(C)(=O)=O)OS(C)(=O)=O
Compound: diethylamino hydroxybenzoyl hexyl benzoate
SMILES: C(=O)(C1=C(C(OCCCCCC)=O)C=CC=C1)C2=C(O)C=C(C=C2)N(CC)CC
Compound: methylnaltrexone
SMILES: O[C@]12[C@@]34C=5C(O[C@]3(C(CC1)=O)[H])=C(O)C=CC5C[C@]2([N+](CC4)(CC6CC6)C)[H]
Compound: diacetyl benzoyl lathyrol
SMILES: O(C(C)=O)[C@@]12[C@]([C@H]([C@H](C1)C)OC(=O)C3=CC=CC=C3)([C@@H](OC(C)=O)C(=C)CC[C@H]4[C@@H](C=C(C2=O)C)C4(C)C)[H]
Compound: (6S)-5-methyltetrahydrofolic acid
SMILES: CN1[C@@H](CNC2=CC=C(C=C2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNC2=C1C(=O)NC(N)=N2
Compound: dipyrithione
SMILES: S(SC=1[N+]([O-])=CC=CC1)C=2[N+]([O-])=CC=CC2
Compound: Padimate A
SMILES: C(OCCC(C)C)(=O)C1=CC=C(C=C1)N(C)C
Compound: octyltriethoxysilane
SMILES: [Si](CCCCCCCC)(OCC)(OCC)OCC
Compound: levmetamfetamine
SMILES: C([C@H](NC)C)C1=CC=CC=C1
Compound: diazolidinylurea
SMILES: N(C(NCO)=O)(CO)C1N(CO)C(N(C1=O)CO)=O
Compound: betiatide
SMILES: C(SCC(NCC(NCC(NCC(O)=O)=O)=O)=O)(=O)C1=CC=CC=C1
Compound: methylrosaniline
SMILES: C(O)(C1=CC=C(C=C1)N(C)C)(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C
Compound: metizoline
SMILES: C(C=1C=2C(SC1C)=CC=CC2)C=3NCCN3
Compound: morniflumate
SMILES: N(C1=C(C(OCCN2CCOCC2)=O)C=CC=N1)C3=CC(C(F)(F)F)=CC=C3
Compound: nalfurafine
SMILES: O[C@]12[C@@]34C=5C(O[C@]3([C@@H](CC1)N(C(/C=C/C=6C=COC6)=O)C)[H])=C(O)C=CC5C[C@]2(N(CC4)CC7CC7)[H]
Compound: ornipressin
SMILES: [H]N[C@H]1CSSC[C@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC1=O)CC2=CC=C(O)C=C2)=O)CC3=CC=CC=C3)=O)CCC(N)=O)=O)CC(N)=O)=O)C(N4CCC[C@H]4C(N[C@@H](CCCN)C(NCC(N)=O)=O)=O)=O
Compound: phenylmercuric nitrate
SMILES: [Hg](O[N+]([O-])=O)C1=CC=CC=C1
Compound: picodralazine
SMILES: C1=CC=C2C(=C1)C(=NN=C2CC3=CC=NC=C3)NN
Compound: ritiometan
SMILES: C(SCC(O)=O)(SCC(O)=O)SCC(O)=O
Compound: trimethyldiphenylpropylamine
SMILES: C(CC(N(C)C)C)(C1=CC=CC=C1)C2=CC=CC=C2
Compound: tetragalacturonic acid hydroxymethylester
SMILES: OCOC(=O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]4C(=O)OCO)O[C@@H]3C(=O)OCO)O[C@@H]2C(=O)OCO)[C@H](O)[C@@H](O)[C@H]1O
Compound: ticlatone
SMILES: O=C1C2=C(SN1)C=C(C=C2)Cl
Compound: trimegestone
SMILES: C[C@@]12[C@]([C@]3(C(CC1)=C4C(CC3)=CC(CC4)=O)[H])(CC[C@@]2(C([C@H](C)O)=O)C)[H]
Compound: etallobarbital
SMILES: C(C=C)C1(CC)C(=O)NC(NC1=O)=O
Compound: dimethylcarbate
SMILES: C(OC)(=O)[C@H]1[C@@H](C(OC)=O)[C@@H]2C[C@H]1C=C2
Compound: dipiperonylaminoethanol
SMILES: C(N(CC1=CC2=C(C=C1)OCO2)CCO)C3=CC4=C(C=C3)OCO4
Compound: fluoromethylcholine (18F)
SMILES: FC[N+](CCO)(C)C
Compound: sequifenadine
SMILES: C([C@]1(C2CCN(C1)CC2)[H])(C3=CC=CC=C3C)(C4=C(C)C=CC=C4)O
Compound: seractide
SMILES: [H]N[C@@H](CO)C(N[C@@H](CC1=CC=C(O)C=C1)C(N[C@@H](CO)C(N[C@@H](CCSC)C(N[C@@H](CCC(O)=O)C(N[C@@H](CC2=CNC=N2)C(N[C@@H](CC3=CC=CC=C3)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CC4=CNC5=C4C=CC=C5)C(NCC(N[C@@H](CCCCN)C(N6CCC[C@H]6C(N[C@@H](C(C)C)C(NCC(N[C@@H](CCCCN)C(N[C@@H](CCCCN)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCNC(N)=N)C(N7CCC[C@H]7C(N[C@@H](C(C)C)C(N[C@@H](CCCCN)C(N[C@@H](C(C)C)C(N[C@@H](CC8=CC=C(O)C=C8)C(N9CCC[C@H]9C(N[C@@H](CC(O)=O)C(N[C@@H](C)C(NCC(N[C@@H](CCC(O)=O)C(N[C@@H](CC(O)=O)C(N[C@@H](CCC(N)=O)C(N[C@@H](CO)C(N[C@@H](C)C(N[C@@H](CCC(O)=O)C(N[C@@H](C)C(N[C@@H](CC%10=CC=CC=C%10)C(N%11CCC[C@H]%11C(N[C@@H](CC(C)C)C(N[C@@H](CCC(O)=O)C(N[C@@H](CC%12=CC=CC=C%12)C(O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O
Compound: afamelanotide
SMILES: CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O
Compound: glycobiarsol
SMILES: [As](O[Bi]=O)(=O)(O)C1=CC=C(NC(CO)=O)C=C1
Compound: cridanimod
SMILES: C1=CC=C2C(=C1)N(C3=CC=CC=C3C2=O)CC(O)=O
Compound: corticorelin
SMILES: [H]N[C@@H](CO)C(N[C@@H](CCC(O)=O)C(N[C@@H](CCC(O)=O)C(N1CCC[C@H]1C(N2CCC[C@H]2C(N[C@@H]([C@H](CC)C)C(N[C@@H](CO)C(N[C@@H](CC(C)C)C(N[C@@H](CC(O)=O)C(N[C@@H](CC(C)C)C(N[C@@H]([C@@H](C)O)C(N[C@@H](CC3=CC=CC=C3)C(N[C@@H](CC4=CNC=N4)C(N[C@@H](CC(C)C)C(N[C@@H](CC(C)C)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCC(O)=O)C(N[C@@H](C(C)C)C(N[C@@H](CC(C)C)C(N[C@@H](CCC(O)=O)C(N[C@@H](CCSC)C(N[C@@H](C)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](C)C(N[C@@H](CCC(O)=O)C(N[C@@H](CCC(N)=O)C(N[C@@H](CC(C)C)C(N[C@@H](C)C(N[C@@H](CCC(N)=O)C(N[C@@H](CCC(N)=O)C(N[C@@H](C)C(N[C@@H](CC5=CNC=N5)C(N[C@@H](CO)C(N[C@@H](CC(N)=O)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCCN)C(N[C@@H](CC(C)C)C(N[C@@H](CCSC)C(N[C@@H](CCC(O)=O)C(N[C@@H]([C@H](CC)C)C(N[C@@H]([C@H](CC)C)C(N)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O
Compound: mebicar
SMILES: N1(C(N(C2C1N(C(N2C)=O)C)C)=O)C
Compound: phenibut
SMILES: C(CC(O)=O)(CN)C1=CC=CC=C1
Compound: levomilnacipran
SMILES: C(N(CC)CC)(=O)[C@@]1([C@@H](C1)CN)C2=CC=CC=C2
Compound: tofogliflozin
SMILES: C=1C2=C(C=C(C1)CC3=CC=C(C=C3)CC)[C@]4(OC2)O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)CO
Compound: teneligliptin
SMILES: C1CN(CCN1[C@]2(C[C@](NC2)(C(=O)N3CSCC3)[H])[H])C4=CC(=NN4C5=CC=CC=C5)C
Compound: anagliptin
SMILES: C1=C(C=NC=2N1N=C(C2)C)C(NCC(NCC(N3[C@@H](CCC3)C#N)=O)(C)C)=O
Compound: fimasartan
SMILES: C1(=CC=CC=C1C2=CC=C(C=C2)CN3C(=NC(=C(C3=O)CC(N(C)C)=S)C)CCCC)C4=NN=NN4
Compound: ripasudil
SMILES: C12=C(C=CC=C1S(N3CCCNC[C@@]3(C)[H])(=O)=O)C=NC=C2F
Compound: vaniprevir
SMILES: [H][C@@]1(CC)C[C@]1(NC(=O)[C@]1([H])C[C@]2([H])CN1C(=O)[C@@]([H])(NC(=O)OCC(C)(C)CCCCC1=C3CN(CC3=CC=C1)C(=O)O2)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1
Compound: vonoprazan
SMILES: C1=CC=C(C(=C1)C2=CC(=CN2S(C=3C=NC=CC3)(=O)=O)CNC)F
Compound: mirodenafil
SMILES: CCCOC1=CC=C(C=C1C1=NC2=C(N(CC)C=C2CCC)C(=O)N1)S(=O)(=O)N1CCN(CCO)CC1
Compound: ozenoxacin
SMILES: C1(=C(C=CC2=C1N(C=C(C2=O)C(O)=O)C3CC3)C=4C=NC(=C(C4)C)NC)C
Compound: lusutrombopag
SMILES: C1=CC=C(C(=C1C=2N=C(SC2)NC(C=3C=C(C(=C(C3)Cl)/C=C(/C(O)=O)\C)Cl)=O)OC)[C@H](C)OCCCCCC
Compound: lobeglitazone
SMILES: C1=C(C=CC(=C1)OC2=CC(=NC=N2)N(CCOC3=CC=C(C=C3)CC4(C(NC(S4)=O)=O)[H])C)OC
Compound: nemonoxacin
SMILES: C1(=C(C=CC2=C1N(C=C(C2=O)C(O)=O)C3CC3)N4C[C@H](C[C@@H](C4)N)C)OC
Compound: arterolane
SMILES: C1C[C@]2(CC[C@@]1(CC(NCC(N)(C)C)=O)[H])OC3(OO2)C4CC5CC3CC(C5)C4
Compound: hydracarbazine
SMILES: C/1=CC(=NN\C1=N/N)C(=O)N
Compound: (18S)-resolvin E2(1-)
SMILES: C(C[C@@H](/C=C/C=C\C/C=C\C\C=C/C=C/[C@H](CC)O)O)CC(=O)[O-]
Compound: (18S)-resolvin E1(1-)
SMILES: C(\[C@H](CCCC([O-])=O)O)=C\C=C\C=C\[C@@H](C\C=C/C=C/[C@H](CC)O)O
Compound: 3-aci-nitropropanoate
SMILES: O[N+]([O-])=CCC(=O)[O-]
Compound: 4-O-[di(2R)-1-glycerylphosphono]-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl undecaprenyl diphosphate
SMILES: O(P(OP(O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1NC(=O)C)O)O[C@@H]2O[C@@H]([C@H]([C@@H]([C@@H]2NC(=O)C)O)OP(OC[C@@H](COP(OC[C@@H](CO)O)(O)=O)O)(O)=O)CO)CO)(O)=O)(O)=O)C/C=C(/C)\CC/C=C(/C)\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)/C)/C)/C)/C)/C)/C
Compound: (R)-PGA2-S-glutathione conjugate
SMILES: [C@H]1([C@H]([C@@H](CC1=O)SC[C@H](NC(CC[C@H](N)C(=O)O)=O)C(=O)NCC(=O)O)/C=C/[C@H](CCCCC)O)C/C=C\CCCC(=O)O
Compound: (S)-PGA2-S-glutathione conjugate
SMILES: [C@H]1([C@H]([C@H](CC1=O)SC[C@H](NC(CC[C@H](N)C(=O)O)=O)C(=O)NCC(=O)O)/C=C/[C@H](CCCCC)O)C/C=C\CCCC(=O)O
Compound: 8,9-epoxy-(5Z,11Z,14Z)-icosatrienoyl-CoA(4-)
SMILES: C(CCC)C/C=C\C/C=C\CC1C(C/C=C\CCCC(SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]2O[C@@H](N3C4=C(C(=NC=N4)N)N=C3)[C@@H]([C@@H]2OP([O-])([O-])=O)O)(=O)[O-])(=O)[O-])(C)C)O)=O)=O)O1
Compound: (R)-PGJ2-S-glutathione conjugate
SMILES: N[C@@H](CCC(=O)N[C@@H](CS[C@H]1[C@@H]([C@H](C(C1)=O)/C=C/[C@H](CCCCC)O)C/C=C\CCCC(=O)O)C(=O)NCC(=O)O)C(=O)O
Compound: (S)-PGJ2-S-glutathione conjugate
SMILES: N[C@@H](CCC(=O)N[C@@H](CS[C@@H]1[C@@H]([C@H](C(C1)=O)/C=C/[C@H](CCCCC)O)C/C=C\CCCC(=O)O)C(=O)NCC(=O)O)C(=O)O
Compound: (4Z,7Z,10Z,13Z,15E,17S,19Z)-17-hydroperoxydocosahexaenoic acid
SMILES: OC(CC/C=C\C/C=C\C/C=C\C/C=C\C=C\[C@H](C/C=C\CC)OO)=O
Compound: 11,12-epoxy-(5Z,8Z,14Z)-icosatrienoyl-CoA(4-)
SMILES: C(CCC)C/C=C\CC1C(C/C=C\C/C=C\CCCC(SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]2O[C@@H](N3C4=C(C(=NC=N4)N)N=C3)[C@@H]([C@@H]2OP([O-])([O-])=O)O)(=O)[O-])(=O)[O-])(C)C)O)=O)=O)O1
Compound: 14,15-epoxy-(5Z,8Z,11Z)-icosatrienoyl-CoA(4-)
SMILES: C(CCC)CC1C(C/C=C\C/C=C\C/C=C\CCCC(SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]2O[C@@H](N3C4=C(C(=NC=N4)N)N=C3)[C@@H]([C@@H]2OP([O-])([O-])=O)O)(=O)[O-])(=O)[O-])(C)C)O)=O)=O)O1
Compound: (4Z,7Z,10Z,13Z,15E,17S)-17-hydroperoxydocosapentaenoic acid
SMILES: OC(CC/C=C\C/C=C\C/C=C\C/C=C\C=C\[C@H](CCCCC)OO)=O
Compound: 1-pentadecanoyl-2-octadecanoyl-sn-glycero-3-phosphoethanolamine
SMILES: P(OC[C@@H](COC(CCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCCCCCC)=O)(=O)(OCCN)O
Compound: (+)-7-isojasmonate
SMILES: [C@@H]1([C@H](CCC1=O)CC([O-])=O)C/C=C\CC
Compound: N-[(+)-7-isojasmonyl]-L-isoleucinate
SMILES: [C@@H]1([C@H](CCC1=O)CC(N[C@H](C([O-])=O)[C@H](CC)C)=O)C/C=C\CC
Compound: N-[(+)-12-hydroxy-7-isojasmonyl]-L-isoleucinate
SMILES: [C@@H]1([C@H](CCC1=O)CC(N[C@H](C([O-])=O)[C@H](CC)C)=O)C/C=C\CCO
Compound: tuberonate
SMILES: C(=O)([O-])C[C@@H]1[C@@H](C(CC1)=O)C/C=C\CCO
Compound: jasmonic acid anion
SMILES: C1(C(CCC1=O)CC([O-])=O)C/C=C\CC
Compound: VX nerve agent
SMILES: CC(N(CCSP(OCC)(=O)C)C(C)C)C
Compound: alpha-D-Gal-(1->3)-beta-D-GlcNAc-(1->4)-alpha-D-GlcN6PEtn-(1->4)-[alpha-LD-Hep-(1->2)-alpha-DD-Hep-(1->2)]-alpha-D-GalA-(1->3)-[alpha-LD-Hep-(1->7)]-alpha-LD-Hep6PEtn-(1->3)-[beta-D-Glc-(1->4)]-alpha-LD-Hep-(1->5)-[alpha-Kdo-(2->4)][beta-L-Arap4N-(1->8)]-alpha-Kdo
SMILES: O[C@@H]1[C@H]([C@H](O[C@@H]([C@@H]1O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COP(=O)(OCCN)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)NC(C)=O)O)N)C(O)=O)O[C@@H]5[C@H](O)[C@H](O[C@@]([C@H]5O)([C@@H](OP(=O)(OCCN)O)CO[C@H]6O[C@@]([C@H]([C@@H]([C@@H]6O)O)O)([C@@H](O)CO)[H])[H])O[C@@H]7[C@H](O)[C@H](O[C@@]([C@H]7O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)([C@@H](O)CO)[H])O[C@@H]9[C@@H](C[C@@](O[C@@]9([C@H](O)CO[C@@H]%10[C@@H]([C@H]([C@H](CO%10)N)O)O)[H])(C(O)=O)O)O[C@@]%11(C[C@H]([C@H]([C@](O%11)([C@H](O)CO)[H])O)O)C(O)=O)O[C@H]%12O[C@@]([C@H]([C@@H]([C@@H]%12O[C@H]%13O[C@@]([C@H]([C@@H]([C@@H]%13O)O)O)([C@@H](O)CO)[H])O)O)([C@H](O)CO)[H]