MonarchInit/C3PO huggingface dataset:
Compound: N-acetyl-L-2-aminoadipic acid 6-phosphate
SMILES: CC(=O)N[C@@H](CCCC(=O)OP(O)(O)=O)C(O)=O
Compound: nadifloxacin
SMILES: CC1CCc2c(N3CCC(O)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O
Compound: Bruceantinol
SMILES: COC(=O)[C@]12OC[C@@]34[C@H]1[C@@H](OC(=O)\C=C(/C)C(C)(C)OC(C)=O)C(=O)O[C@@H]3C[C@H]1C(C)=C(O)C(=O)C[C@]1(C)[C@H]4[C@@H](O)[C@@H]2O
Compound: Naftopidil
SMILES: COC1=CC=CC=C1N2CCN(CC2)CC(COC3=CC=CC4=CC=CC=C43)O
Compound: naloxone hydrochloride
SMILES: C1=2C[C@@H]3[C@@]4(CCC([C@H]5[C@@]4(C1=C(C(=CC2)O)O5)CCN3CC=C)=O)O.Cl
Compound: Nandrolone cyclohexanepropionate
SMILES: [C@@]12([C@]3([C@@]([C@@]4(C(=CC(=O)CC4)CC3)[H])(CC[C@@]1([C@@H](OC(CCC5CCCCC5)=O)CC2)C)[H])[H])[H]
Compound: Nandrolone furylpropionate
SMILES: C=1C=C(CCC(O[C@H]2CC[C@]3([C@@]4(CCC5=CC(=O)CC[C@@]5([C@]4(CC[C@@]32C)[H])[H])[H])[H])=O)OC1
Compound: Nangustine
SMILES: O[C@H]1CC=C2[C@H]3CN(Cc4cc5OCOc5cc34)[C@H]2[C@@H]1O
Compound: Narcissidine
SMILES: CO[C@@H]1[C@@H](O)[C@@H]2[C@@H]3N(CC=C3[C@H]1O)Cc1cc(OC)c(OC)cc21
Compound: nateglinide
SMILES: CC(C)[C@H]1CC[C@@H](CC1)C(=O)N[C@H](Cc1ccccc1)C(O)=O
Compound: nedaplatin
SMILES: [H][N]([H])([H])[Pt]1(OCC(=O)O1)[N]([H])([H])[H]
Compound: Bruceine B
SMILES: COC(=O)[C@]12OC[C@@]34[C@H]1[C@@H](OC(C)=O)C(=O)O[C@@H]3C[C@H]1C(C)=C(O)C(=O)C[C@]1(C)[C@H]4[C@@H](O)[C@@H]2O
Compound: neticonazole hydrochloride
SMILES: C(=C\SC)(\C1=C(OCCCCC)C=CC=C1)/N2C=CN=C2.Cl
Compound: Nicametate citrate
SMILES: C=1C(=CC=CN1)C(=O)OCCN(CC)CC.C(CC(O)=O)(CC(O)=O)(C(O)=O)O
Compound: Nicergoline
SMILES: [H][C@@]12Cc3cn(C)c4cccc(c34)[C@]1(C[C@@H](COC(=O)c1cncc(Br)c1)CN2C)OC
Compound: Niceritrol
SMILES: C(COC(=O)C=1C=CC=NC1)(COC(=O)C=2C=CC=NC2)(COC(=O)C=3C=CC=NC3)COC(=O)C=4C=CC=NC4
Compound: Nicomol
SMILES: C(OC(=O)C=1C=CC=NC1)C2(COC(=O)C=3C=CC=NC3)C(O)C(COC(=O)C=4C=CC=NC4)(COC(=O)C=5C=CC=NC5)CCC2
Compound: nicorandil
SMILES: [O-][N+](=O)OCCNC(=O)c1cccnc1
Compound: nicotinyl alcohol tartrate
SMILES: C1=C(C=NC=C1)CO.OC([C@@H]([C@H](C(O)=O)O)O)=O
Compound: Niddamycin
SMILES: CO[C@H]1[C@H](O)CC(=O)O[C@H](C)C\C=C\C=C\C(=O)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@@](C)(O)[C@@H](OC(=O)C(C)C)[C@H](C)O2)[C@@H]([C@H]1O)N(C)C
Compound: Nifekalant hydrochloride
SMILES: Cl.C=1C=C(CCCN(CCNC2=CC(N(C(N2C)=O)C)=O)CCO)C=CC1[N+](=O)[O-]
Compound: Nifenazone
SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CN=CC=C3
Compound: Nilvadipine
SMILES: CC1=C(C(C(=C(N1)C#N)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC(C)C
Compound: nimetazepam
SMILES: CN1c2ccc(cc2C(=NCC1=O)c1ccccc1)[N+]([O-])=O
Compound: Nitrogen mustard N-oxide hydrochloride
SMILES: C(C[N+](CCCl)([O-])C)Cl.Cl
Compound: Nizofenone fumarate
SMILES: C(/C=C/C(O)=O)(O)=O.C(N(CC)CC)C=1N(C2=CC=C(C=C2C(C3=C(C=CC=C3)Cl)=O)[N+]([O-])=O)C=CN1
Compound: nogalonic acid
SMILES: CC(=O)CC(=O)c1c(O)c2C(=O)c3c(O)cccc3C(=O)c2cc1CC(O)=O
Compound: Norchelerythrine
SMILES: COc1ccc2c(cnc3c2ccc2cc4OCOc4cc32)c1OC
Compound: Norfenefrine hydrochloride
SMILES: Cl.C1(=CC=CC(=C1)C(CN)O)O
Compound: Norgalanthamine
SMILES: COc1ccc2CNCC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24
Compound: Bruceoside A
SMILES: COC(=O)[C@]12OC[C@@]34[C@H]1[C@@H](OC(=O)C=C(C)C)C(=O)O[C@@H]3C[C@H]1[C@H](C)C(=O)C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C[C@]1(C)[C@H]4[C@@H](O)[C@@H]2O
Compound: Norsanguinine
SMILES: O[C@@H]1C[C@@H]2Oc3c4c(CNCC[C@@]24C=C1)ccc3O
Compound: Novclobiocin 104
SMILES: CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2Cl)OC1(C)C
Compound: Novclobiocin 105
SMILES: CC(C)=CCc1cc(ccc1O)C(=O)Nc1c(O)c2ccc(O[C@@H]3OC(C)(C)[C@H](O)[C@@H](O)[C@H]3O)c(Cl)c2oc1=O
Compound: novobiocic acid
SMILES: CC(C)=CCc1cc(ccc1O)C(=O)Nc1c(O)c2ccc(O)c(C)c2oc1=O
Compound: Novobiocin sodium
SMILES: [Na+].CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c([O-])c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C
Compound: Nylidrin hydrochloride
SMILES: C=1(C=CC=CC1)CCC(NC(C(C=2C=CC(O)=CC2)O)C)C.Cl
Compound: nystatin A3
SMILES: [H][C@]12C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)\C=C\C=C\C=C\C=C\CC\C=C\C=C\[C@H](C)[C@@H](OC3C[C@@H](O)[C@@H](O)[C@H](C)O3)[C@@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@](O)(C[C@H](O)[C@H]1C(O)=O)O2
Compound: O-Methyllycorenine
SMILES: CO[C@H]1O[C@@H]2CC=C3CCN(C)[C@H]3[C@@H]2c2cc(OC)c(OC)cc12
Compound: Obliquine
SMILES: CO[C@H]1C[C@@H]2N(C)C(=O)[C@H]3N(CCc4ccc(O)cc4)Cc4cc5OCOc5cc4[C@@]23C=C1
Compound: brucine
SMILES: COc1cc2N3[C@H]4[C@@H]5[C@H](CC3=O)OCC=C3CN6CC[C@]4([C@@H]6C[C@H]53)c2cc1OC
Compound: Octotiamine
SMILES: N=1C=C(C(=NC1C)N)CN(C(=C(CCO)SSCCC(CCCCC(OC)=O)SC(C)=O)C)C=O
Compound: Olanexidine hydrochloride hydrate
SMILES: Cl.O.C1=C(C(=CC(=C1)CNC(NC(NCCCCCCCC)=N)=N)Cl)Cl.Cl.C1=C(C(=CC(=C1)CNC(NC(NCCCCCCCC)=N)=N)Cl)Cl
Compound: Olmesartan medoxomil
SMILES: CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)OCC5=C(OC(=O)O5)C)C(C)(C)O
Compound: Olopatadine hydrochloride
SMILES: Cl.O1CC=2C(\C(\C=3C1=CC=C(C3)CC(O)=O)=C\CCN(C)C)=CC=CC2
Compound: Omeprazole sodium
SMILES: C1=C(C=C2C(=C1)[N-]C(=N2)S(CC3=C(C(=C(C=N3)C)OC)C)=O)OC.[Na+]
Compound: Omoconazole nitrate
SMILES: C=1(C=CC(=CC1Cl)Cl)\C(\OCCOC2=CC=C(C=C2)Cl)=C(\N3C=CN=C3)/C.[N+](O)(=O)[O-]
Compound: Ornoprostil
SMILES: C(=C/[C@H](C[C@H](CCCC)C)O)\[C@@H]1[C@@H](CC(CCCCC(OC)=O)=O)C(C[C@H]1O)=O
Compound: Osalmid
SMILES: C(NC1=CC=C(C=C1)O)(=O)C2=C(O)C=CC=C2
Compound: Brugine
SMILES: CN1C2CCC1C[C@H](C2)OC(=O)[C@@H]1CCSS1
Compound: Oxabolone cipionate
SMILES: C[C@@]12[C@]([C@]3([C@](CC1)([C@@]4(C(CC3)=C(O)C(CC4)=O)[H])[H])[H])(CC[C@@H]2OC(CCC5CCCC5)=O)[H]
Compound: oxaliplatin
SMILES: [H][N]1([H])[C@@H]2CCCC[C@H]2[N]([H])([H])[Pt]11OC(=O)C(=O)O1
Compound: oxatomide
SMILES: O=C1NC2=C(C=CC=C2)N1CCCN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1
Compound: Oxazolam
SMILES: CC1OC2(N(C1)CC(NC=3C2=CC(=CC3)Cl)=O)C4=CC=CC=C4
Compound: Oxendolone
SMILES: C[C@@]12[C@]([C@]3([C@](CC1)([C@@]4(C(CC3)=CC(CC4)=O)[H])[H])[H])(C[C@@H]([C@@H]2O)CC)[H]
Compound: Oxethazaine
SMILES: CN(C(=O)CN(CCO)CC(=O)N(C)C(C)(C)Cc1ccccc1)C(C)(C)Cc1ccccc1
Compound: Oxoassoanine
SMILES: COc1cc2c3cccc4CCn(c34)c(=O)c2cc1OC
Compound: Brunfelsamidine
SMILES: NC(=N)c1cc[nH]c1
Compound: Oxymetebanol
SMILES: O[C@@]12[C@@]3(C4=C(C[C@]1(N(CC3)C)[H])C=CC(=C4OC)OC)C[C@@H](CC2)O
Compound: Oxypertine
SMILES: C(CN1CCN(CC1)C2=CC=CC=C2)C=3C4=C(NC3C)C=C(C(=C4)OC)OC
Compound: Oxytetracycline hydrochloride
SMILES: Cl.CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(C(=O)c4c(O)cccc4[C@@]3(C)O)=C(O)[C@]2(O)C(=O)C(C(N)=O)=C1O
Compound: Ozagrel hydrochloride
SMILES: Cl.OC(=O)\C=C\c1ccc(Cn2ccnc2)cc1
Compound: PD116740
SMILES: COc1cccc2C(=O)C3=C([C@@H](O)[C@H](O)c4cc(CO)cc(O)c34)C(=O)c12
Compound: pancracine
SMILES: [H][C@]12C[C@H](O)[C@@H](O)C=C1[C@H]1C[N@@]2Cc2cc3OCOc3cc12
Compound: pantethine
SMILES: CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO
Compound: Brunsvigine
SMILES: O[C@@H]1C[C@@H]2N3C[C@H](C2=C[C@@H]1O)c1cc2OCOc2cc1C3
Compound: Papyramine
SMILES: CO[C@H]1CC2N3CC[C@@]2(C=C1)c1cc(OC)c(OC)cc1C3O
Compound: Paramethasone acetate
SMILES: C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(C)=O
Compound: pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)
SMILES: O[C@@H]1[C@@H](COC(=O)CC(O)=O)O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)cc2)[C@H](O)[C@H]1O
Compound: pelargonidin 3-O-(6-O-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside
SMILES: OC[C@H]1O[C@@H](Oc2cc(O)cc3[o+]c(-c4ccc(O)cc4)c(O[C@@H]4O[C@H](COC(=O)\C=C\c5ccc(O)c(O)c5)[C@@H](O)[C@H](O)[C@H]4O)cc23)[C@H](O)[C@@H](O)[C@@H]1O
Compound: pelargonidin 3-O-beta-D-glucoside
SMILES: OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
Compound: pelargonidin 3-O-rutinoside
SMILES: C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
Compound: pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside
SMILES: C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)cc4[o+]c3-c3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
Compound: Brusatol
SMILES: COC(=O)[C@]12OC[C@@]34[C@H]1[C@@H](OC(=O)C=C(C)C)C(=O)O[C@@H]3C[C@H]1C(C)=C(O)C(=O)C[C@]1(C)[C@H]4[C@@H](O)[C@@H]2O
Compound: phenoxymethylpenicillin benzathine
SMILES: [H][N+]([H])(CC[N+]([H])([H])Cc1ccccc1)Cc1ccccc1.[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)COc1ccccc1)C([O-])=O.[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)COc1ccccc1)C([O-])=O
Compound: Pentagastrin
SMILES: C(N[C@@H](CC1=CNC2=C1C=CC=C2)C(N[C@@H](CCSC)C(N[C@@H](CC(O)=O)C(N[C@@H](CC3=CC=CC=C3)C(N)=O)=O)=O)=O)(=O)CCNC(=O)OC(C)(C)C
Compound: Perazine dimalonate
SMILES: N1(C2=C(SC=3C=CC=CC13)C=CC=C2)CCCN4CCN(CC4)C.OC(CC(O)=O)=O.OC(CC(O)=O)=O
Compound: Perazine maleate
SMILES: C=1C=CC2=C(C1)N(C3=C(S2)C=CC=C3)CCCN4CCN(CC4)C.C(/C=C\C(O)=O)(O)=O.C(/C=C\C(O)=O)(O)=O
Compound: Bryodulcosigenin
SMILES: C[C@H](CCC(O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
Compound: octafluoropropane
SMILES: C(C(C(F)(F)F)(F)F)(F)(F)F
Compound: periciazine
SMILES: OC1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C#N)CC1
Compound: Perisoxal citrate
SMILES: C1(=NOC(C2=CC=CC=C2)=C1)C(O)CN3CCCCC3.C(CC(O)=O)(CC(O)=O)(C(O)=O)O.C1(=NOC(C2=CC=CC=C2)=C1)C(O)CN3CCCCC3
Compound: Perlapine
SMILES: CN1CCN(CC1)C=2C=3C(CC4=C(N2)C=CC=C4)=CC=CC3
Compound: pethidine hydrochloride
SMILES: C1(C(=O)OCC)(CCN(CC1)C)C2=CC=CC=C2.Cl
Compound: petunidin 3-O-beta-D-glucoside
SMILES: COc1cc(cc(O)c1O)-c1[o+]c2cc(O)cc(O)c2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Compound: phenethicillin potassium
SMILES: [K+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C(C)Oc1ccccc1)C([O-])=O
Compound: phenethyl acetate
SMILES: CC(=O)OCCc1ccccc1
Compound: Pheneturide
SMILES: CCC(C(=O)NC(N)=O)c1ccccc1
Compound: Bryophyllin A
SMILES: C[C@]12C[C@@H](O)[C@H]3[C@@H](CC[C@@]45C[C@@H]6C[C@@H](OC(C)(O6)O4)[C@]35C=O)[C@@]1(O)CC[C@@H]2c1ccc(=O)oc1
Compound: Pheniramine maleate
SMILES: OC(=O)\C=C/C(O)=O.CN(C)CCC(c1ccccc1)c1ccccn1
Compound: phenol red
SMILES: Oc1ccc(cc1)C1(OS(=O)(=O)c2ccccc12)c1ccc(O)cc1
Compound: Phenprobamate
SMILES: C1=CC=C(C=C1)CCCOC(=O)N
Compound: Phenylacetylglycine dimethylamide
SMILES: CN(C)C(=O)CN(C(C)=O)c1ccccc1
Compound: Phenyliodoundecynoate
SMILES: C=1C=C(C=CC1)OC(=O)CCCCCCCCC#CI
Compound: Phenylpropanol
SMILES: CCC(O)C1=CC=CC=C1
Compound: Phenylpropanolamine hydrochloride
SMILES: Cl.C1=CC=CC(=C1)[C@H]([C@@H](N)C)O
Compound: N,N-dimethylethanolamine phosphate
SMILES: CN(C)CCOP(O)(O)=O
Compound: (+)-N-methylconiine
SMILES: CCC[C@H]1CCCCN1C
Compound: pibutidine hydrochloride
SMILES: Cl.C1CCN(CC1)CC2=CC(=NC=C2)OC/C=C\CNC=3C(C(C3N)=O)=O
Compound: Pilsicainide hydrochloride
SMILES: C=1(C(C)=CC=CC1C)NC(CC23N(CCC2)CCC3)=O.Cl.O.C=1(C(=CC=CC1C)C)NC(CC23N(CCC2)CCC3)=O.Cl
Compound: Pimilprost
SMILES: C1[C@H]([C@@H]([C@@H]2[C@H]1C[C@H](C2)CCOCC(OC)=O)/C=C/[C@H](C[C@H](CCCC)C)O)O
Compound: pimobendan
SMILES: COc1ccc(cc1)-c1nc2cc(ccc2[nH]1)C1=NNC(=O)CC1C
Compound: pipamperone dihydrochloride
SMILES: Cl.Cl.NC(=O)C1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)N1CCCCC1
Compound: Pipemidic acid trihydrate
SMILES: N=1C(=NC2=C(C1)C(C(C(O)=O)=CN2CC)=O)N3CCNCC3.O.O.O
Compound: methyl beta-D-glucopyranoside
SMILES: CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Compound: piperazine phosphate
SMILES: O.OP(O)(O)=O.C1CNCCN1
Compound: methyl alpha-D-glucopyranoside
SMILES: CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Compound: Piperidolate hydrochloride
SMILES: C=1C=C(C(C2=CC=CC=C2)C(OC3CN(CCC3)CC)=O)C=CC1.Cl
Compound: Pipethanate hydrochloride
SMILES: Cl.C1N(CCOC(C(C=2C=CC=CC2)(C=3C=CC=CC3)O)=O)CCCC1
Compound: Pipradrol hydrochloride
SMILES: Cl.C1=CC=CC(=C1)C(C=2C=CC=CC2)(C3NCCCC3)O
Compound: bryotoxin A
SMILES: C[C@@H]1C[C@@H](OC(C)=O)[C@H](O)[C@H](O[C@H]2CC[C@]3(C=O)[C@H]4[C@H](O)C(=O)[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)c2ccc(=O)oc2)O1
Compound: Piracetam
SMILES: C1CC(=O)N(C1)CC(=O)N
Compound: Pirarubicin
SMILES: [C@H]1(OCCCC1)O[C@H]2[C@H](C[C@H](O[C@@H]3C=4C(=C5C(C6=C(C=CC=C6C(C5=C(C4C[C@](C3)(C(CO)=O)O)O)=O)OC)=O)O)O[C@H]2C)N
Compound: Pirbuterol hydrochloride
SMILES: Cl.C=1(N=C(C(O)=CC1)CO)C(CNC(C)(C)C)O.Cl
Compound: Pirenoxine
SMILES: OC1=C2C=3C(OC4=C(N3)C=CC=C4)=CC(C2=NC(=C1)C(O)=O)=O
Compound: pirenzepine hydrochloride
SMILES: [H+].[H+].[Cl-].[Cl-].CN1CCN(CC1)CC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Compound: Piretanide
SMILES: C1CCN(C1)C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)OC3=CC=CC=C3
Compound: pirfenidone
SMILES: Cc1ccc(=O)n(c1)-c1ccccc1
Compound: Pirmenol hydrochloride
SMILES: C=1C=C(C(CCCN2[C@H](CCC[C@H]2C)C)(C=3N=CC=CC3)O)C=CC1.Cl.O
Compound: piroheptine hydrochloride
SMILES: Cl.CCN1CCC(C1C)=C1C2=CC=CC=C2CCC2=CC=CC=C12
Compound: piromidic acid
SMILES: CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCCC3)C(O)=O
Compound: Buchananine
SMILES: O[C@H]1O[C@H](COC(=O)c2cccnc2)[C@@H](O)[C@H](O)[C@H]1O
Compound: pitavastatin
SMILES: O[C@H](C[C@H](O)\C=C\c1c(nc2ccccc2c1-c1ccc(F)cc1)C1CC1)CC(O)=O
Compound: Platenolide A
SMILES: CC[C@H]1C[C@@H](C)C(=O)\C=C\C=C\C[C@@H](C)OC(=O)C[C@@H](O)[C@H](OC)[C@H]1O
Compound: plaunotol
SMILES: CC(C)=CCC\C(C)=C\CC\C(CO)=C\CC\C(C)=C\CO
Compound: polaprezinc
SMILES: C(C([N-][C@@H](C([O-])=O)CC1=CN=CN1)=O)CN.[Zn+2]
Compound: Polidronium chloride
SMILES: OCC[N+](C/C=C/C[N+](C/C=C/C[N+](CCO)(CCO)CCO)(C)C)(CCO)CCO.[Cl-].[Cl-].[Cl-]
Compound: Poloxamer
SMILES: C1C(O1)C.C1CO1
Compound: potassium acetate
SMILES: [K+].CC([O-])=O
Compound: Bucharaine
SMILES: C\C(CCC(O)C(C)(C)O)=C/COc1cc(=O)[nH]c2ccccc12
Compound: potassium bromide
SMILES: [K+].[Br-]
Compound: Potassium gluconate
SMILES: [O-]C(=O)[C@@H]([C@H]([C@H](O)[C@@H](CO)O)O)O.[K+]
Compound: potassium 4-hydroxy-3-methoxybenzene-1-sulfonate
SMILES: [K+].COc1cc(ccc1O)S([O-])(=O)=O
Compound: potassium bitartrate
SMILES: [K+].O[C@H]([C@@H](O)C([O-])=O)C(O)=O
Compound: potassium hydroxide
SMILES: [OH-].[K+]
Compound: potassium sulfate
SMILES: [K+].[K+].[O-]S([O-])(=O)=O
Compound: pralidoxime iodide
SMILES: [I-].C[n+]1ccccc1\C=N\O
Compound: Pranazepide
SMILES: C12=C3C(=N[C@@H](C(N1CCC2=CC=C3)=O)NC(C=4NC5=C(C4)C=CC=C5)=O)C6=CC=CC=C6F
Compound: Bucharidine
SMILES: CC(c1c(O)c2ccccc2[nH]c1=O)C1(C)CCC(O)C(C)(C)O1
Compound: Pranoprofen
SMILES: CC(C1=CC2=C(C=C1)OC3=C(C2)C=CC=N3)C(=O)O
Compound: pratosartan
SMILES: CCCc1nc2CCCCC(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Compound: Prednisolone 21-all-cis-farnesylate
SMILES: CC(C)=CCC\C(C)=C/CC\C(C)=C/C(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
Compound: Prednisolone farnesylate
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(/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)=O)=O)O)[H]
Compound: prednisolone sodium succinate
SMILES: [Na+].[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: Prekinamycin
SMILES: Cc1cc(O)c2c3c(C(=O)c4c(O)cccc4C3=O)[c-]([N+]#N)c2c1
Compound: Premithramycin A1
SMILES: CO[C@H]1[C@@H]2Cc3cc4cc(O)cc(O)c4c(O)c3C(=O)[C@]2(O[C@H]2C[C@@H](O)[C@H](O)[C@@H](C)O2)C(=O)C(C(C)=O)=C1O
Compound: premithramycin A2'
SMILES: CO[C@H]1[C@@H]2Cc3cc4cc(O)cc(O)c4c(O)c3C(=O)[C@]2(O[C@H]2C[C@@H](O[C@H]3C[C@@H](O)[C@@H](O)[C@@H](C)O3)[C@H](O)[C@@H](C)O2)C(=O)C(C(C)=O)=C1O
Compound: Premithramycin A3
SMILES: CO[C@H]1[C@@H]2Cc3cc4cc(O)c(C)c(O)c4c(O)c3C(=O)[C@]2(O[C@H]2C[C@@H](O[C@H]3C[C@@H](O[C@H]4C[C@](C)(O)[C@H](O)[C@@H](C)O4)[C@@H](O)[C@@H](C)O3)[C@H](O)[C@@H](C)O2)C(=O)C(C(C)=O)=C1O
Compound: premithramycin A3'
SMILES: CO[C@H]1[C@@H]2Cc3cc4cc(O)cc(O)c4c(O)c3C(=O)[C@]2(O[C@H]2C[C@@H](O[C@H]3C[C@@H](O[C@H]4C[C@](C)(O)[C@H](O)[C@@H](C)O4)[C@@H](O)[C@@H](C)O3)[C@H](O)[C@@H](C)O2)C(=O)C(C(C)=O)=C1O
Compound: buclizine
SMILES: CC(C)(C)c1ccc(CN2CCN(CC2)C(c2ccccc2)c2ccc(Cl)cc2)cc1
Compound: Premithramycin B
SMILES: CO[C@H]1[C@@H]2Cc3cc4cc(O[C@H]5C[C@@H](O[C@H]6C[C@@H](O)[C@H](O)[C@@H](C)O6)[C@H](O)[C@@H](C)O5)c(C)c(O)c4c(O)c3C(=O)[C@]2(O[C@H]2C[C@@H](O[C@H]3C[C@@H](O[C@H]4C[C@](C)(O)[C@H](O)[C@@H](C)O4)[C@@H](O)[C@@H](C)O3)[C@H](O)[C@@H](C)O2)C(=O)C(C(C)=O)=C1O
Compound: Premithramycinone
SMILES: CO[C@H]1[C@@H]2Cc3cc4cc(O)cc(O)c4c(O)c3C(=O)[C@]2(O)C(=O)C(C(C)=O)=C1O
Compound: Prifinium bromide
SMILES: [Br-].CC[N+]1(CC)CCC(C1C)=C(c1ccccc1)c1ccccc1
Compound: prilocaine hydrochloride
SMILES: [Cl-].CCC[NH2+]C(C)C(=O)Nc1ccccc1C
Compound: Proansamitocin
SMILES: CO[C@@H]1\C=C\C=C(C)\Cc2cc(O)cc(NC(=O)C[C@H](O)\C(C)=C\[C@H](C)[C@@H](O)CC1=O)c2
Compound: Procaterol hydrochloride
SMILES: Cl.CCC(NC(C)C)C(O)c1ccc(O)c2[nH]c(=O)ccc12
Compound: proglumetacin dimaleate
SMILES: OC(=O)\C=C/C(O)=O.OC(=O)\C=C/C(O)=O.CCCN(CCC)C(=O)C(CCC(=O)OCCCN1CCN(CCOC(=O)Cc2c(C)n(C(=O)c3ccc(Cl)cc3)c3ccc(OC)cc23)CC1)NC(=O)c1ccccc1
Compound: N(2)-benzoyl-N,N-dipropyl-alpha-glutamine
SMILES: CCCN(CCC)C(=O)C(CCC(O)=O)NC(=O)c1ccccc1
Compound: Promethazine teoclate
SMILES: C=12C(N(C(=O)N(C1N=C(N2)Cl)C)C)=O.C12=C(C=CC=C1)SC3=C(N2CC(C)N(C)C)C=CC=C3
Compound: buddledin A
SMILES: [H][C@]12CC(C)(C)[C@]1([H])[C@@H](OC(C)=O)C(=O)\C(C)=C\CCC2=C
Compound: propagermanium
SMILES: OC(=O)CC[Ge](=O)O[Ge](=O)CCC(O)=O
Compound: Propentofylline
SMILES: CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(=O)C
Compound: propicillin potassium
SMILES: [K+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C(CC)Oc1ccccc1)C([O-])=O
Compound: propylparaben
SMILES: CCCOC(=O)c1ccc(O)cc1
Compound: Propyliodone
SMILES: C(C(OCCC)=O)N1C=C(I)C(C(=C1)I)=O
Compound: Proscillaridin
SMILES: C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CCC3=C2)C6=COC(=O)C=C6)[C@H](O)[C@H](O)[C@H]1O
Compound: Prothionamide
SMILES: CCCC1=NC=CC(=C1)C(=S)N
Compound: Protizinic acid
SMILES: COC1=CC=C2N(C)C3=CC(=CC=C3SC2=C1)C(C)C(O)=O
Compound: Protorifamycin I
SMILES: C[C@H]1\C=C\C=C(C)/C(=O)NC2=CC(=O)c3c(cc(C)c(O)c3C(=O)\C(C)=C\[C@H](CO)[C@H](O)[C@@H](C)[C@@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H]1O)C2=O
Compound: Proxazole citrate
SMILES: C(CC(O)=O)(CC(O)=O)(C(O)=O)O.C=1C=CC(C(C=2N=C(ON2)CCN(CC)CC)CC)=CC1
Compound: budesonide
SMILES: [H][C@@]12CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])[C@@H](O)C[C@@]1(C)[C@@]2([H])C[C@H]2OC(CCC)O[C@@]12C(=O)CO
Compound: Proxyphylline
SMILES: CC(CN1C=NC2=C1C(=O)N(C(=O)N2C)C)O
Compound: Prulifloxacin
SMILES: CC1N2C=3C(C(C(=C2S1)C(O)=O)=O)=CC(=C(C3)N4CCN(CC4)CC5=C(C)OC(O5)=O)F
Compound: Pseudoecgonine
SMILES: CN1C2CCC1[C@@H]([C@@H](O)C2)C(O)=O
Compound: Pseudoecgonyl-CoA
SMILES: CN1C2CCC1[C@@H]([C@@H](O)C2)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Compound: Pseudolycorine
SMILES: COc1cc2CN3CCC4=C[C@H](O)[C@@H](O)[C@H]([C@H]34)c2cc1O
Compound: Pyricarbate
SMILES: CNC(=O)OCc1cccc(COC(=O)NC)n1
Compound: zinc pyrithione
SMILES: S1C2=CC=CC=N2=[O][Zn]11SC2=CC=CC=N2=[O]1
Compound: pyrrolnitrin
SMILES: [O-][N+](=O)c1c(Cl)cccc1-c1c[nH]cc1Cl
Compound: Budlein A
SMILES: C\C=C(\C)C(=O)O[C@@H]1C[C@@]2(C)OC(=CC2=O)\C(CO)=C/[C@H]2OC(=O)C(=C)[C@H]12
Compound: quercetin 3-O-(6-O-malonyl-beta-D-glucoside)
SMILES: O[C@@H]1[C@@H](COC(=O)CC(O)=O)O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O)[C@H]1O
Compound: quercetin 3-O-[beta-D-xylosyl-(1->2)-beta-D-glucoside]
SMILES: OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
Compound: quercetin 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside
SMILES: OC[C@H]1O[C@@H](O[C@H]2[C@H](Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)c(O)c3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
Compound: quercetin 3-O-beta-D-glucosyl-(1->2)-beta-D-glucosyl-(1->2)-beta-D-glucoside
SMILES: OC[C@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](Oc4c(oc5cc(O)cc(O)c5c4=O)-c4ccc(O)c(O)c4)O[C@H](CO)[C@@H](O)[C@@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
Compound: Quinine ethylcarbonate (TN)
SMILES: C1=2C([C@H]([C@]3(N4C[C@@H](C(C3)CC4)C=C)[H])OC(OCC)=O)=CC=NC1=CC=C(C2)OC
Compound: Rabelomycin
SMILES: C[C@]1(O)CC(=O)c2c(C1)cc(O)c1C(=O)c3c(O)cccc3C(=O)c21
Compound: Ramatroban
SMILES: C(CC(O)=O)N1C2=C(C=3C1=CC=CC3)C[C@@H](CC2)NS(=O)(=O)C4=CC=C(C=C4)F
Compound: Ramosetron hydrochloride
SMILES: Cl.C1[C@@H](C(C2=CN(C3=C2C=CC=C3)C)=O)CC4=C(C1)N=CN4
Compound: Ranimustine
SMILES: C(NC(N(CCCl)N=O)=O)[C@H]1O[C@H](OC)[C@@H]([C@H]([C@@H]1O)O)O
Compound: buformin
SMILES: CCCCNC(=N)NC(N)=N
Compound: remifentanil hydrochloride
SMILES: [Cl-].CCC(=O)N(c1ccccc1)C1(CC[NH+](CCC(=O)OC)CC1)C(=O)OC
Compound: Repirinast
SMILES: O=C1C2=C(C3=C(N1)C(C)=C(C=C3)C)OC(=CC2=O)C(OCCC(C)C)=O
Compound: Rescimetol
SMILES: C(OC)(=O)[C@H]1[C@]2(C[C@@]3(C4=C(C5=C(N4)C=C(C=C5)OC)CCN3C[C@]2(C[C@H]([C@@H]1OC)OC(/C=C/C6=CC(OC)=C(C=C6)O)=O)[H])[H])[H]
Compound: retinyl acetate
SMILES: CC(=O)OC\C=C(C)\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C
Compound: rhodomycin D
SMILES: CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)c2c(O)c3C(=O)c4c(O)cccc4C(=O)c3c(O)c2[C@H]1C(=O)OC
Compound: Riboflavin butyrate
SMILES: N1(C[C@@H]([C@@H]([C@H](OC(CCC)=O)COC(CCC)=O)OC(CCC)=O)OC(CCC)=O)C=2C=C(C)C(=CC2N=C3C1=NC(=O)NC3=O)C
Compound: riboflavin sodium phosphate
SMILES: C12=C(C=C(C(=C1)C)C)N(C=3C(=N2)C(NC(N3)=O)=O)C[C@@H]([C@H](O)[C@H](O)COP(O)([O-])=O)O.[Na+]
Compound: Rifamycin W
SMILES: C[C@H]1\C=C\C=C(C)/C(=O)NC2=CC(=O)c3c(C2=O)c(O)c(C)c(O)c3C(=O)\C(C)=C\[C@H](CO)[C@H](O)[C@@H](C)[C@@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H]1O
Compound: bufotenin
SMILES: CN(C)CCc1c[nH]c2ccc(O)cc12
Compound: Rilmazafone hydrochloride
SMILES: N1(C2=C(C(=O)C3=CC=CC=C3Cl)C=C(Cl)C=C2)C(=NC(C(=O)N(C)C)=N1)CNC(=O)CN.Cl.O.O
Compound: risarestat
SMILES: C1(NC(SC1C2=CC=C(C(OCC)=C2)OCCCCC)=O)=O
Compound: Ritodrine hydrochloride
SMILES: C=1([C@H]([C@@H](NCCC2=CC=C(O)C=C2)C)O)C=CC(O)=CC1.Cl
Compound: Rokitamycin
SMILES: O([C@]1([C@H](O)[C@@H](N(C)C)[C@@H]([C@H](O1)C)O[C@]2(C[C@](OC(CC)=O)(C)[C@H]([C@@H](O2)C)OC(CCC)=O)[H])[H])[C@H]3[C@@H](CC=O)C[C@@H](C)[C@@H](O)C=CC=CC[C@H](OC(C[C@H]([C@@H]3OC)O)=O)C
Compound: Rolitetracycline nitrate
SMILES: [N+](O)(=O)[O-].C=1C=C2C(C(C=3[C@@](C[C@]4([H])[C@](C3O)(C(=O)C(=C(O)[C@H]4N(C)C)C(=O)NCN5CCCC5)O)([H])[C@]2(C)O)=O)=C(C1)O.O.[N+](O)(=O)[O-].C=6C=C7C(C(C=8[C@@](C[C@]9([H])[C@](C8O)(C(=O)C(=C(O)[C@H]9N(C)C)C(=O)NCN%10CCCC%10)O)([H])[C@]7(C)O)=O)=C(C6)O.O.O
Compound: Romurtide
SMILES: [C@@]1([C@@H](NC(C)=O)C(O[C@@H]([C@H]1O)CO)O)(O[C@@H](C(N[C@H](C(N[C@H](CCC(N[C@@H](CCCCNC(CCCCCCCCCCCCCCCCC)=O)C(O)=O)=O)C(N)=O)=O)C)=O)C)[H]
Compound: Roxatidine acetate hydrochloride
SMILES: N(CCCOC1=CC(=CC=C1)CN2CCCCC2)C(COC(C)=O)=O.Cl
Compound: rubidium hydroxide
SMILES: [OH-].[Rb+]
Compound: (Z)-roxithromycin
SMILES: CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)\C(=N\OCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O
Compound: bulbocapnine
SMILES: COc1ccc2C[C@@H]3N(C)CCc4cc5OCOc5c(c34)-c2c1O
Compound: (S)-hydroprene
SMILES: CCOC(=O)\C=C(C)\C=C\C[C@@H](C)CCCC(C)C
Compound: saccharin
SMILES: O=C1NS(=O)(=O)c2ccccc12
Compound: Saccharin sodium
SMILES: [Na+].O=C1[N-]S(=O)(=O)c2ccccc12
Compound: Safrazine hydrochloride
SMILES: C=12OCOC2=CC=C(C1)CCC(NN)C.Cl
Compound: salicylamide
SMILES: NC(=O)c1ccccc1O
Compound: salvianin
SMILES: O[C@@H]1[C@@H](COC(=O)\C=C\c2ccc(O)c(O)c2)O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](COC(=O)CC(O)=O)[C@@H](OC(=O)CC(O)=O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2ccc(O)cc2)[C@H](O)[C@H]1O
Compound: Sanguilutine
SMILES: COc1cc(OC)c2c(c[n+](C)c3c4cc(OC)c(OC)cc4ccc23)c1OC
Compound: Sanguinine
SMILES: CN1CC[C@@]23C=C[C@H](O)C[C@@H]2Oc2c3c(C1)ccc2O
Compound: Sanguirubine
SMILES: COc1cc2ccc3c4c(OC)cc5OCOc5c4c[n+](C)c3c2cc1OC
Compound: Saphenamycin
SMILES: CC(OC(=O)c1c(C)cccc1O)c1cccc2nc3c(cccc3nc12)C(O)=O
Compound: Bullatacinone
SMILES: CCCCCCCCCC[C@H](O)[C@H]1CCC(O1)[C@H]1CC[C@@H](O1)[C@H](O)CCCCCCCCCC[C@@H]1C[C@@H](CC(C)=O)C(=O)O1
Compound: sapropterin dihydrochloride
SMILES: Cl.Cl.[H][C@@]1(CNc2nc(N)[nH]c(=O)c2N1)[C@@H](O)[C@H](C)O
Compound: Saquinavir mesylate
SMILES: CS(O)(=O)=O.CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1
Compound: Sarpogrelate hydrochloride
SMILES: C1(OCC(OC(=O)CCC(O)=O)CN(C)C)=CC=CC=C1CCC2=CC=CC(=C2)OC.Cl
Compound: butylscopolamine bromide
SMILES: [C@@H]12[C@@H](O1)[C@H]3[N+](C)([C@@H]2C[C@H](C3)OC(=O)[C@@H](C4=CC=CC=C4)CO)CCCC.[Br-]
Compound: Semduramicin sodium
SMILES: [C@]12(O[C@](CC1)(C)[C@@]3(O[C@@]([C@@]4(O[C@@]([C@]5(O[C@]([C@H](C)C[C@@H]5C)(C)O)[H])(C[C@@H]4O[C@H]6CC[C@@H]([C@H](O6)C)OC)[H])[H])(C)CC3)[H])O[C@]([H])([C@H](C7[C@@H]([C@@H](O)C([C@](O7)(CC([O-])=O)O)C)OC)C)[C@H](C)[C@H](C2)O.[Na+]
Compound: Seratrodast
SMILES: C(CCCCCC(O)=O)(C1=C(C)C(=O)C(=C(C1=O)C)C)C2=CC=CC=C2
Compound: Sevelamer hydrochloride
SMILES: Cl.C1(CO1)CCl.NCC=C
Compound: Siccanin
SMILES: C[C@@]12[C@]3([C@]4([C@@](CC1)(C(C)(C)CCC4)[H])CO[C@]3(C=5C(O2)=CC(=CC5O)C)[H])[H]
Compound: diamminesilver(1+) fluoride
SMILES: [F-].[H][N]([H])([H])[Ag+][N]([H])([H])[H]
Compound: bumetanide
SMILES: CCCCNc1cc(cc(c1Oc1ccccc1)S(N)(=O)=O)C(O)=O
Compound: silver(1+) nitrate
SMILES: [Ag+].[O-]N(=O)=O
Compound: Simfibrate
SMILES: O(C(C(OCCCOC(C(OC1=CC=C(C=C1)Cl)(C)C)=O)=O)(C)C)C2=CC=C(C=C2)Cl
Compound: dexamethasone sodium m-sulfobenzoate
SMILES: [Na+].[H][C@@]12C[C@@H](C)[C@](O)(C(=O)COC(=O)c3cccc(c3)S([O-])(=O)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C
Compound: Sivelestat sodium hydrate
SMILES: [Na+].C=1(S(NC=2C=CC=CC2C(=O)NCC([O-])=O)(=O)=O)C=CC(OC(C(C)(C)C)=O)=CC1.O.O.O.O
Compound: soblidotin
SMILES: [H][C@]([C@@H](C)CC)([C@@H](CC(=O)N1CCC[C@@]1([H])[C@H](OC)[C@@H](C)C(=O)NCCC1=CC=CC=C1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C
Compound: Sobuzoxane
SMILES: C(OC(OCC(C)C)=O)N1C(=O)CN(CC1=O)CCN2CC(=O)N(C(C2)=O)COC(OCC(C)C)=O
Compound: egualen sodium
SMILES: [Na+].CCc1cc(c2cc(cccc12)C(C)C)S([O-])(=O)=O
Compound: sodium acetate trihydrate
SMILES: [Na+].[H]O[H].[H]O[H].[H]O[H].CC([O-])=O
Compound: sodium hydrogencarbonate
SMILES: [Na+].OC([O-])=O
Compound: Buntanine
SMILES: COc1c(O)ccc2c1n(C)c1cc(O)c(CC=C(C)C)c(O)c1c2=O
Compound: sodium caffeine benzoate
SMILES: C12=C(N(C(=O)N(C)C1=O)C)N=CN2C.C1(=CC=CC=C1)C(=O)[O-].[Na+]
Compound: Sodium carbonate decahydrate
SMILES: C([O-])([O-])=O.[Na+].[Na+].O.O.O.O.O.O.O.O.O.O
Compound: sodium citrate dihydrate
SMILES: O.O.[Na+].[Na+].[Na+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
Compound: equilin sodium sulfate
SMILES: [Na+].C[C@]12CC[C@H]3C(=CCc4cc(OS([O-])(=O)=O)ccc34)[C@@H]1CCC2=O
Compound: Sodium glucuronate
SMILES: [Na+].O[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)C([O-])=O
Compound: sodium hypochlorite
SMILES: [Na+].[O-]Cl
Compound: sodium picosulfate
SMILES: [Na+].[Na+].[O-]S(=O)(=O)Oc1ccc(cc1)C(c1ccc(OS([O-])(=O)=O)cc1)c1ccccn1
Compound: prasterone sodium sulfate
SMILES: O.[Na+].C1C[C@]2(C(=CC[C@]3([C@]4([C@](CC[C@]23[H])(C(CC4)=O)C)[H])[H])C[C@H]1OS([O-])(=O)=O)C.O
Compound: sodium sulfate
SMILES: [Na+].[Na+].[O-]S([O-])(=O)=O
Compound: sodium thiosulfate pentahydrate
SMILES: [Na+].[Na+].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[O-]S([S-])(=O)=O
Compound: Solifenacin succinate
SMILES: C(CCC(O)=O)(O)=O.C12CCN(C[C@@H]1OC(N3CCC4=C([C@@H]3C5=CC=CC=C5)C=CC=C4)=O)CC2
Compound: Sorivudine
SMILES: O=C1N(C=C(C(N1)=O)/C=C/Br)[C@@H]2O[C@@H]([C@H]([C@@H]2O)O)CO
Compound: stealthin C
SMILES: CC1=CC2=C(C3=C(O)C4=CC=CC(O)=C4C(=O)C3=C2N)C(O)=C1
Compound: octadecan-1-ol
SMILES: C(CCCCCCCCC)CCCCCCCCO
Compound: stigmatellin A
SMILES: CO[C@@H](\C=C\C=C\C(\C)=C\C)[C@@H](C)[C@@H](OC)[C@@H](C)CCc1oc2c(O)c(OC)cc(OC)c2c(=O)c1C
Compound: Stigmatellin X
SMILES: CO[C@@H](\C=C\C=C\C(C)=C\C)[C@@H](C)[C@@H](OC)[C@@H](C)CCc1oc2cc(O)cc(O)c2c(=O)c1C
Compound: Stigmatellin Y
SMILES: CO[C@@H](\C=C\C=C\C(C)=C\C)[C@@H](C)[C@@H](OC)[C@@H](C)CCc1oc2cc(O)cc(OC)c2c(=O)c1C
Compound: streptomycin sulfate
SMILES: OS(=O)(O)=O.[C@@H]1([C@H](O[C@@H]2[C@H]([C@@H]([C@@H](NC(=N)N)[C@@H]([C@H]2O)O)O)NC(N)=N)O[C@H]([C@@]1(C=O)O)C)O[C@H]3[C@H]([C@@H]([C@@H](O)[C@@H](O3)CO)O)NC.OS(=O)(O)=O.OS(=O)(O)=O.[C@@H]1([C@H](O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2O)O)NC(=N)N)O)NC(N)=N)O[C@H]([C@@]1(C=O)O)C)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC
Compound: sucralose
SMILES: OC[C@H]1O[C@H](O[C@]2(CCl)O[C@H](CCl)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1Cl
Compound: buprenorphine
SMILES: [H][C@@]1(C[C@]23CC[C@]1(OC)[C@@H]1Oc4c(O)ccc5C[C@H]2N(CC[C@@]31c45)CC1CC1)[C@](C)(O)C(C)(C)C
Compound: sulbenicillin disodium
SMILES: [Na+].[Na+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C(c1ccccc1)S([O-])(=O)=O)C([O-])=O
Compound: sulfadimethoxine
SMILES: COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1
Compound: sulfamethopyrazine
SMILES: COc1nccnc1NS(=O)(=O)c1ccc(N)cc1
Compound: Sulfametomidine
SMILES: N(S(=O)(=O)C1=CC=C(C=C1)N)C=2C=C(OC)N=C(N2)C
Compound: Sulfamonomethoxine
SMILES: COc1cc(NS(=O)(=O)c2ccc(N)cc2)ncn1
Compound: Sulfatolamide
SMILES: C1(=CC=C(CN)C=C1)S(=O)(=O)N.C=1(S(NC(N)=S)(=O)=O)C=CC(N)=CC1
Compound: sulfisomidine
SMILES: Cc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(C)n1
Compound: sulpiride
SMILES: CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O
Compound: Sulpyrine
SMILES: O.[Na+].CN(CS([O-])(=O)=O)c1c(C)n(C)n(-c2ccccc2)c1=O
Compound: sultamicillin tosylate
SMILES: [H+].Cc1ccc(cc1)S([O-])(=O)=O.[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)c1ccccc1)C(=O)OCOC(=O)[C@@H]1N2C(=O)C[C@@]2([H])S(=O)(=O)C1(C)C
Compound: Sultiame
SMILES: C1(N2CCCCS2(=O)=O)=CC=C(C=C1)S(N)(=O)=O
Compound: Suplatast tosilate
SMILES: CCOCC(O)COc1ccc(NC(=O)CC[S+](C)C)cc1
Compound: suxibuzone
SMILES: CCCCC1(COC(=O)CCC(O)=O)C(=O)N(N(C1=O)c1ccccc1)c1ccccc1
Compound: Syrosingopine
SMILES: CCOC(=O)OC1=C(C=C(C=C1OC)C(=O)O[C@@H]2C[C@@H]3CN4CCC5=C([C@H]4C[C@@H]3[C@@H]([C@H]2OC)C(=O)OC)NC6=C5C=CC(=C6)OC)OC
Compound: tacalcitol
SMILES: [H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)[C@H](C)CC[C@@H](O)C(C)C
Compound: Talipexole dihydrochloride
SMILES: Cl.C12=C(N=C(S1)N)CCN(CC2)CC=C.Cl
Compound: 2-(tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one
SMILES: CC(C)N1C(=O)N(CSC1=NC(C)(C)C)c1ccccc1
Compound: tamibarotene
SMILES: CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(cc3)C(O)=O)ccc12
Compound: tandospirone citrate
SMILES: [C@]12([C@@]([C@@]3(C[C@]1(CC3)[H])[H])(C(N(C2=O)CCCCN4CCN(CC4)C5=NC=CC=N5)=O)[H])[H].C(=O)(O)C(CC(=O)O)(CC(=O)O)O
Compound: Tazanolast
SMILES: N(C(C(OCCCC)=O)=O)C=1C=C(C=CC1)C=2NN=NN2
Compound: tazarotene
SMILES: CCOC(=O)c1ccc(nc1)C#Cc1ccc2SCCC(C)(C)c2c1
Compound: tazettine
SMILES: [H][C@]12C[C@H](OC)C=C[C@]11c3cc4OCOc4cc3CO[C@]1(O)CN2C
Compound: technetium-99 medronate
SMILES: [99Tc].P(O)(C([H])([H])P(=O)(O)O)(=O)O
Compound: Technetium Tc 99m succimer
SMILES: OC(C(C(S)C(O)=O)S)=O.[99Tc]
Compound: Tegafur
SMILES: Fc1cn(C2CCCO2)c(=O)[nH]c1=O
Compound: Temiverine hydrochloride hydrate
SMILES: Cl.O.C1=CC=CC(=C1)C(C2CCCCC2)(C(OC(C)(C)C#CCN(CC)CC)=O)O
Compound: bupropion
SMILES: CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
Compound: Temocapril hydrochloride
SMILES: S1C=CC=C1[C@H]2SC[C@H](N[C@@H](CCC3=CC=CC=C3)C(=O)OCC)C(N(C2)CC(=O)O)=O.Cl
Compound: tenoxicam
SMILES: CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O
Compound: Terguride
SMILES: CN1[C@]2([C@@](C=3C=4C(C2)=CNC4C=CC3)(C[C@@H](C1)NC(N(CC)CC)=O)[H])[H]
Compound: Terodiline hydrochloride
SMILES: Cl.C(C1=CC=CC=C1)(CC(NC(C)(C)C)C)C2=CC=CC=C2
Compound: tetracenomycin A2
SMILES: COC(=O)c1c(OC)cc2cc3C(=O)c4cc(OC)cc(O)c4C(=O)c3c(O)c2c1C
Compound: tetracenomycin B1
SMILES: COc1cc(O)c2C(=O)c3c(O)c4c(C)cc(O)cc4cc3C(=O)c2c1
Compound: tetracenomycin B2
SMILES: COC(=O)c1c(O)cc2cc3C(=O)c4cc(OC)cc(O)c4C(=O)c3c(O)c2c1C
Compound: Bupropion hydrochloride
SMILES: C1(C(C(NC(C)(C)C)C)=O)=CC(=CC=C1)Cl.Cl
Compound: tetracenomycin B3
SMILES: COc1cc(O)c2C(=O)c3c(O)c4c(C)c(C(O)=O)c(O)cc4cc3C(=O)c2c1
Compound: tetracenomycin D1
SMILES: Cc1cc(O)cc2cc3C(=O)c4cc(O)cc(O)c4C(=O)c3c(O)c12
Compound: tetracenomycin D3
SMILES: Cc1c(C(O)=O)c(O)cc2cc3C(=O)c4cc(O)cc(O)c4C(=O)c3c(O)c12
Compound: tetracenomycin D3 methyl ester
SMILES: COC(=O)c1c(O)cc2cc3C(=O)c4cc(O)cc(O)c4C(=O)c3c(O)c2c1C
Compound: tetracenomycin E
SMILES: COc1cc(O)c2C(=O)c3c(O)c4c(C)c(C(O)=O)c(OC)cc4cc3C(=O)c2c1
Compound: tetracenomycin F1
SMILES: Cc1c(C(O)=O)c(O)cc2cc3Cc4cc(O)cc(O)c4C(=O)c3c(O)c12
Compound: tetracenomycin F1 methyl ester
SMILES: COC(=O)c1c(O)cc2cc3Cc4cc(O)cc(O)c4C(=O)c3c(O)c2c1C
Compound: tetracenomycin F2
SMILES: CC(=O)c1c(O)c2C(=O)c3c(O)cc(O)cc3Cc2cc1\C=C(\O)CC(O)=O
Compound: tetracenomycin M
SMILES: CC1(O)CC(O)Cc2cc3C(=O)c4cc(O)cc(O)c4C(=O)c3c(O)c12
Compound: tetracenomycin X
SMILES: COC(=O)c1c(OC)cc2cc3C(=O)[C@@]4(O)C(=O)C(OC)=CC(=O)[C@@]4(OC)C(=O)c3c(O)c2c1C
Compound: Burimamide
SMILES: CNC(=S)NCCCCc1c[nH]cn1
Compound: tetrangomycin
SMILES: C[C@]1(O)CC(=O)c2c(C1)ccc1C(=O)c3c(O)cccc3C(=O)c21
Compound: tetrangulol
SMILES: Cc1cc(O)c2c3C(=O)c4cccc(O)c4C(=O)c3ccc2c1
Compound: ((201)Tl)thallium monochloride
SMILES: Cl[201Tl]
Compound: Theophylline sodium acetate
SMILES: CC([O-])=O.C12=C(N(C(=O)N(C1=O)C)C)N=CN2.[Na+]
Compound: thiamphenicol
SMILES: CS(=O)(=O)c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl
Compound: thiethylperazine maleate
SMILES: [H+].[H+].[H+].[H+].[O-]C(=O)\C=C/C([O-])=O.[O-]C(=O)\C=C/C([O-])=O.CCSc1ccc2Sc3ccccc3N(CCCN3CCN(C)CC3)c2c1
Compound: Thioproperazine mesilate
SMILES: S1C2=C(N(C=3C=C(C=CC13)S(N(C)C)(=O)=O)CCCN4CCN(CC4)C)C=CC=C2.S(=O)(=O)(C)O.S(=O)(=O)(C)O
Compound: Thonzylamine hydrochloride
SMILES: Cl.N1=CC=CN=C1N(CC2=CC=C(C=C2)OC)CCN(C)C
Compound: burseran
SMILES: COc1cc(C[C@@H]2COC[C@H]2Cc2ccc3OCOc3c2)cc(OC)c1OC
Compound: Tiapride hydrochloride
SMILES: S(C=1C=C(C(OC)=CC1)C(=O)NCCN(CC)CC)(C)(=O)=O.Cl
Compound: tiaprofenic acid
SMILES: CC(C(O)=O)c1ccc(s1)C(=O)c1ccccc1
Compound: Tiaramide hydrochloride
SMILES: N1(C(SC2=C1C=C(C=C2)Cl)=O)CC(N3CCN(CC3)CCO)=O.Cl
Compound: tibolone
SMILES: [H][C@]12CC[C@@]3(C)[C@@]([H])(CC[C@@]3(O)C#C)[C@]1([H])[C@H](C)CC1=C2CCC(=O)C1
Compound: Tiemonium iodide
SMILES: S1C=CC=C1C(CC[N+]2(CCOCC2)C)(C3=CC=CC=C3)O.[I-]
Compound: Tilisolol hydrochloride
SMILES: C=1C=C2C(=CC1)C(OCC(CNC(C)(C)C)O)=CN(C2=O)C.Cl
Compound: Timepidium bromide
SMILES: [Br-].COC1CC(C[N+](C)(C)C1)=C(c1cccs1)c1cccs1
Compound: Tinoridine hydrochloride
SMILES: C=1C=C(C=CC1)CN2CC3=C(CC2)C(=C(S3)N)C(=O)OCC.Cl
Compound: Tiopronin
SMILES: CC(S)C(=O)NCC(O)=O
Compound: buspirone
SMILES: C=1N=C(N=CC1)N2CCN(CC2)CCCCN3C(CC4(CC3=O)CCCC4)=O
Compound: tiotropium bromide hydrate
SMILES: [Br-].O([C@H]1C[C@]2([C@@H]3O[C@@H]3[C@](C1)([H])[N+]2(C)C)[H])C(C(C4=CC=CS4)(C=5SC=CC5)O)=O.O
Compound: Tipepidine hibenzate
SMILES: C1=CC=CC(=C1C(O)=O)C(=O)C2=CC=C(O)C=C2.C1N(CC(CC1)=C(C2=CC=CS2)C3=CC=CS3)C
Compound: tiquizium bromide
SMILES: C(=C1C[N@+]2(C)[C@@](CC1)(CCCC2)[H])(C3=CC=CS3)C4=CC=CS4.[Br-]
Compound: Tirilazad mesylate
SMILES: C1[C@@]2([C@@]([C@H]([C@@H]1C)C(CN3CCN(CC3)C=4N=C(N=C(C4)N5CCCC5)N6CCCC6)=O)(CC=C7[C@]2(CCC=8[C@@]7(C=CC(C8)=O)C)[H])C)[H].S(=O)(=O)(O)C
Compound: Tobicillin
SMILES: [C@H]1(C(N2[C@@]1(SC([C@@H]2C(OC=3C=C(C=CC3)COC(C(C)C)=O)=O)(C)C)[H])=O)NC(=O)CC4=CC=CC=C4
Compound: Toborinone
SMILES: C=1C=C2C(=CC1OCC(CNCC3=CC=C(C(=C3)OC)OC)O)C=CC(N2)=O
Compound: Tocamphyl
SMILES: C(C1C(C(CC1)(C)C(OC(C2=CC=C(C=C2)C)C)=O)(C)C)(=O)O.OCCNCCO
Compound: Tocopherol calcium succinate
SMILES: C12=C(C(C)=C(C(=C2CC[C@](O1)(CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C)C)OC(CCC([O-])=O)=O)C.[Ca+2].C12=C(C(C)=C(C(=C1CC[C@](O2)(CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C)C)OC(CCC([O-])=O)=O)C
Compound: Tocopheryl nicotinate
SMILES: CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2c(C)c(OC(=O)c3cccnc3)c(C)c(C)c2O1
Compound: buspirone hydrochloride
SMILES: C=1N=C(N=CC1)N2CCN(CC2)CCCCN3C(CC4(CC3=O)CCCC4)=O.Cl
Compound: Tocoretinate
SMILES: CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2c(C)c(OC(=O)\C=C(C)\C=C\C=C(C)\C=C\C3=C(C)CCCC3(C)C)c(C)c(C)c2O1
Compound: Tofisopam
SMILES: C(C)C1C=2C(C(=NN=C1C)C3=CC(OC)=C(C=C3)OC)=CC(=C(C2)OC)OC
Compound: Tolciclate
SMILES: O(C(N(C)C1=CC(C)=CC=C1)=S)C2=CC3=C(C=C2)C4CC3CC4
Compound: tolfenamic acid
SMILES: Cc1c(Cl)cccc1Nc1ccccc1C(O)=O
Compound: Tolperisone hydrochloride
SMILES: C=1C=C(C=CC1C)C(=O)C(CN2CCCCC2)C.Cl
Compound: tolterodine tartrate
SMILES: [H+].[H+].OC(=O)[C@@H]([O-])[C@H]([O-])C(O)=O.CC(C)N(CC[C@H](c1ccccc1)c1cc(C)ccc1O)C(C)C
Compound: Tolycaine hydrochloride
SMILES: C=1C=C(C(=C(C(=O)OC)C1)NC(=O)CN(CC)CC)C.Cl
Compound: tosufloxacin tosylate hydrate
SMILES: O.Cc1ccc(cc1)S(O)(=O)=O.NC1CCN(C1)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F
Compound: Trachelanthamidine
SMILES: OC[C@@H]1CCN2CCC[C@@H]12
Compound: Tramazoline hydrochloride
SMILES: Cl.C1CCC=2C(C1)=C(C=CC2)NC=3NCCN3
Compound: transfluthrin
SMILES: CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)OCc1c(F)c(F)cc(F)c1F
Compound: Trapidil
SMILES: CCN(CC)C1=CC(=NC2=NC=NN12)C
Compound: Trepibutone
SMILES: C(CCC(O)=O)(=O)C1=C(OCC)C=C(C(=C1)OCC)OCC
Compound: Tribenoside
SMILES: C(C)OC1[C@H](O)[C@H]([C@H](O1)C(COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
Compound: trifluoperazine dimaleate
SMILES: [H+].[H+].[H+].[H+].[O-]C(=O)\C=C/C([O-])=O.[O-]C(=O)\C=C/C([O-])=O.CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
Compound: trilostane
SMILES: [H][C@@]12CC[C@@]34O[C@@H]3C(O)=C(C[C@]4(C)[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H])C#N
Compound: Trimebutine maleate
SMILES: C(/C=C\C(O)=O)(O)=O.C1(=CC(=C(OC)C(OC)=C1)OC)C(OCC(N(C)C)(C=2C=CC=CC2)CC)=O
Compound: Trimetazidine hydrochloride
SMILES: Cl.C=1C=C(OC)C(OC)=C(C1CN2CCNCC2)OC.Cl
Compound: Trimethylcetylammonium pentachlorophenate
SMILES: C1(=C(Cl)C(=C(Cl)C(=C1Cl)Cl)Cl)[O-].[N+](C)(C)(CCCCCCCCCCCCCCCC)C
Compound: Tripamide
SMILES: N(C(=O)C1=CC(S(N)(=O)=O)=C(C=C1)Cl)N2C[C@]3([C@@](C2)([C@@]4(C[C@]3(CC4)[H])[H])[H])[H]
Compound: triprolidine hydrochloride monohydrate
SMILES: O.Cl.Cc1ccc(cc1)C(=C/CN1CCCC1)\c1ccccn1
Compound: Trisphaeridine
SMILES: C1Oc2cc3cnc4ccccc4c3cc2O1
Compound: trolnitrate phosphate
SMILES: C(CN(CCO[N+](=O)[O-])CCO[N+](=O)[O-])O[N+]([O-])=O.P(O)(O)(O)=O.P(O)(O)(O)=O
Compound: tropisetron
SMILES: CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c[nH]c2ccccc12
Compound: trospium chloride
SMILES: [N+]12([C@]3(C[C@H](OC(C(C4=CC=CC=C4)(C5=CC=CC=C5)O)=O)C[C@@]1(CC3)[H])[H])CCCC2.[Cl-]
Compound: Troxipide
SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)NC2CCCNC2
Compound: Tulobuterol hydrochloride
SMILES: Cl.CC(C)(C)NCC(O)c1ccccc1Cl
Compound: Tyropanoate sodium
SMILES: [Na+].N(C=1C(=C(C(=CC1I)I)CC(C(=O)[O-])CC)I)C(=O)CCC
Compound: UDP-3-keto-alpha-D-glucose
SMILES: OC[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)C(=O)[C@@H]1O
Compound: UDP-alpha-D-kanosamine
SMILES: N[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@@H]1O
Compound: Ufenamate
SMILES: N(C1=C(C(OCCCC)=O)C=CC=C1)C2=CC(C(F)(F)F)=CC=C2
Compound: ungeremine
SMILES: [O-]c1cc2CC[n+]3cc4cc5OCOc5cc4c(c1)c23
Compound: Urapidil
SMILES: CN1C(=CC(=O)N(C1=O)C)NCCCN2CCN(CC2)C3=CC=CC=C3OC
Compound: urdamycin A
SMILES: C[C@@H]1O[C@H](CC[C@@H]1O)O[C@]12C(=O)C[C@](C)(O)C[C@@]1(O)C=CC1=C2C(=O)c2ccc([C@H]3C[C@@H](O[C@H]4CC[C@H](O[C@H]5C[C@@H](O)[C@H](O)[C@@H](C)O5)[C@H](C)O4)[C@H](O)[C@@H](C)O3)c(O)c2C1=O
Compound: butabarbital
SMILES: CCC(C)C1(CC)C(=O)NC(=O)NC1=O
Compound: Urdamycin B
SMILES: C[C@@H]1O[C@H](CC[C@@H]1O[C@H]1C[C@@H](O)[C@H](O)[C@@H](C)O1)O[C@@H]1C[C@@H](O[C@H](C)[C@H]1O)c1ccc2C(=O)c3c(ccc4C[C@@](C)(O)CC(=O)c34)C(=O)c2c1O
Compound: Urdamycin F
SMILES: C[C@@H]1O[C@H](CC[C@@H]1O)O[C@]12C(=O)C[C@](C)(O)C[C@@]1(O)C[C@@H](O)C1=C2C(=O)c2ccc([C@H]3C[C@@H](O[C@H]4CC[C@H](O[C@H]5C[C@@H](O)[C@H](O)[C@@H](C)O5)[C@H](C)O4)[C@H](O)[C@@H](C)O3)c(O)c2C1=O
Compound: Urdamycin G
SMILES: C[C@@H]1O[C@H](CC[C@@H]1O)O[C@@H]1C[C@@H](O[C@H](C)[C@H]1O)c1ccc2C(=O)C3=C(C=C[C@]4(O)C[C@@](C)(O)CC(=O)[C@]34O[C@H]3CC[C@H](O)[C@H](C)O3)C(=O)c2c1O
Compound: Urdamycinone B
SMILES: C[C@H]1O[C@H](C[C@@H](O)[C@@H]1O)c1ccc2C(=O)c3c(ccc4C[C@@](C)(O)CC(=O)c34)C(=O)c2c1O
Compound: Urdamycinone F
SMILES: C[C@H]1O[C@H](C[C@@H](O)[C@@H]1O)c1ccc2C(=O)C3=C([C@H](O)C[C@]4(O)C[C@@](C)(O)CC(=O)[C@]34O)C(=O)c2c1O
Compound: ((13)C)urea
SMILES: N[13C](N)=O
Compound: alfuzosin hydrochloride
SMILES: [H+].[Cl-].COc1cc2nc(nc(N)c2cc1OC)N(C)CCCNC(=O)C1CCCO1
Compound: Valacillin (TN)
SMILES: [C@H]1(C(N2[C@@]1(SC([C@@H]2C(OCC3=C(OC(O3)=O)C)=O)(C)C)[H])=O)NC(=O)[C@@H](C4=CC=CC=C4)N.Cl
Compound: Valethamate bromide
SMILES: [Br-].CC[N+](CCOC(C(C1=CC=CC=C1)C(C)CC)=O)(CC)C
Compound: Variotin
SMILES: CCCC[C@@H](O)\C=C(C)\C=C\C=C\C(=O)N1CCCC1=O
Compound: Butabarbital sodium
SMILES: C1(C(NC([O-])=NC1=O)=O)(C(CC)C)CC.[Na+]
Compound: Vasconine
SMILES: COc1cc2c[n+]3CCc4cccc(c34)c2cc1OC
Compound: Vatanidipine hydrochloride
SMILES: C1(N2CCN(C(C3=CC=CC=C3)C4=CC=CC=C4)CC2)=CC=C(C=C1)CCOC(C=5C(C(=C(NC5C)C)C(OC)=O)C6=CC(=CC=C6)[N+](=O)[O-])=O.Cl.Cl
Compound: vindesine sulfate
SMILES: OS(O)(=O)=O.[H][C@@]12N3CC[C@@]11c4cc(c(OC)cc4N(C)[C@@]1([H])[C@](O)([C@H](O)[C@]2(CC)C=CC3)C(N)=O)[C@]1(C[C@@H]2C[N@](CCc3c1[nH]c1ccccc31)C[C@](O)(CC)C2)C(=O)OC
Compound: vinorelbine L-tartrate
SMILES: O[C@H]([C@@H](O)C(O)=O)C(O)=O.O[C@H]([C@@H](O)C(O)=O)C(O)=O.[H][C@]12CN(CC(CC)=C1)Cc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@]1([H])[C@@](O)([C@H](OC(C)=O)[C@]3(CC)C=CCN4CC[C@]21[C@]34[H])C(=O)OC
Compound: Vinpocetine
SMILES: CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4C(=C2)C(=O)OCC
Compound: vitexin 2''-O-alpha-L-rhamnoside
SMILES: C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2c2c(O)cc(O)c3c2oc(cc3=O)-c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O
Compound: butachlor
SMILES: C1=CC=C(C(=C1CC)N(COCCCC)C(CCl)=O)CC
Compound: Voglibose
SMILES: N(C(CO)CO)[C@H]1C[C@@](CO)(O)[C@H]([C@@H]([C@H]1O)O)O
Compound: Xaliproden hydrochloride
SMILES: C=1C=C2C(C=CC(=C2)CCN3CCC(=CC3)C4=CC=CC(=C4)C(F)(F)F)=CC1.Cl
Compound: Xanthoxic acid
SMILES: CC(\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C(O)=O
Compound: 2-cis,4-trans-xanthoxin
SMILES: CC(\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=O
Compound: Zaltoprofen
SMILES: C(C(O)=O)(C)C=1C=C2C(=CC1)SC3=C(C(C2)=O)C=CC=C3
Compound: Zanamivir hydrate
SMILES: C1=C(O[C@@]([H])([C@@H]([C@@H](CO)O)O)[C@H](NC(C)=O)[C@H]1NC(N)=N)C(O)=O.O
Compound: Zephyramine
SMILES: COc1cc2CN3CC[C@]4([C@H]5O[C@H]5CCC34)c2cc1OC
Compound: butamben
SMILES: CCCCOC(=O)c1ccc(N)cc1
Compound: Zephyranthine
SMILES: O[C@@H]1CC2CCN3Cc4cc5OCOc5cc4C(C23)[C@@H]1O
Compound: zinc sulfate heptahydrate
SMILES: [Zn++].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[O-]S([O-])(=O)=O
Compound: Zinc undecylenate
SMILES: [Zn+2].C=CCCCCCCCCC([O-])=O.C=CCCCCCCCCC([O-])=O
Compound: ziprasidone hydrochloride hydrate
SMILES: [H+].O.[Cl-].Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Compound: zopiclone
SMILES: CN1CCN(CC1)C(=O)OC1N(C(=O)c2nccnc12)c1ccc(Cl)cn1
Compound: zotepine
SMILES: CN(C)CCOC1=Cc2ccccc2Sc2ccc(Cl)cc12
Compound: alpha,beta-Dihydroxyethyl-TPP
SMILES: Cc1c(CCOP(O)(=O)OP(O)(O)=O)sc([C-](O)CO)[n+]1Cc1cnc(C)nc1N
Compound: alpha-Amylcinnamaldehyde
SMILES: CCCCC\C(C=O)=C\c1ccccc1
Compound: alpha-ionone
SMILES: CC(=O)\C=C\C1C(C)=CCCC1(C)C
Compound: Butamifos
SMILES: CCOP(=S)(NC(C)CC)Oc1cc(C)ccc1[N+]([O-])=O
Compound: alpha-Terpinyl acetate
SMILES: CC(=O)OC(C)(C)C1CCC(C)=CC1
Compound: alpha-Tocopherol acetate
SMILES: CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2c(C)c(OC(C)=O)c(C)c(C)c2O1
Compound: beta-Butoxyethyl nicotinate
SMILES: CCCCOCCOC(=O)c1cccnc1
Compound: beta-D-glucuronamide
SMILES: NC(=O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
Compound: beta-ionone
SMILES: CC(=O)\C=C\C1=C(C)CCCC1(C)C
Compound: beta-Terpinyl acetate
SMILES: CC(=C)C1CCC(C)(CC1)OC(C)=O
Compound: cis-cyclohexane-1,2-diol
SMILES: O[C@H]1CCCC[C@H]1O
Compound: (+)-epitaxifolin
SMILES: O[C@@H]1[C@@H](Oc2cc(O)cc(O)c2C1=O)c1ccc(O)c(O)c1
Compound: dTDP-3-amino-2,3,6-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose
SMILES: C[C@H]1O[C@@H](C[C@](C)(N)C1=O)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O
Compound: dTDP-3-amino-2,3,6-trideoxy-D-threo-hexopyranos-4-ulose
SMILES: C[C@H]1O[C@@H](C[C@@H](N)C1=O)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O
Compound: dTDP-5,5-di-C-methyl-beta-L-lyxose
SMILES: Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]3OC(C)(C)[C@H](O)[C@@H](O)[C@H]3O)O2)c(=O)[nH]c1=O
Compound: dTDP-L-4-oxovancosamine
SMILES: C[C@@H]1O[C@@H](C[C@](C)(N)C1=O)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O
Compound: dTDP-beta-L-vancosamine
SMILES: C[C@@H]1O[C@@H](C[C@](C)(N)[C@@H]1O)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O
Compound: dTDP-beta-D-mycarose
SMILES: C[C@H]1O[C@@H](C[C@](C)(O)[C@@H]1O)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O
Compound: dTDP-beta-D-oliose
SMILES: C[C@H]1O[C@@H](C[C@@H](O)[C@H]1O)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O
Compound: dTDP-beta-L-daunosamine
SMILES: C[C@@H]1O[C@@H](C[C@H](N)[C@@H]1O)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O
Compound: dTDP-beta-L-rhodinose
SMILES: C[C@@H]1O[C@@H](CC[C@@H]1O)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O
Compound: ent-6alpha-Hydroxybuphanisine
SMILES: CO[C@H]1C[C@@H]2N3CC[C@@]2(C=C1)c1cc2OCOc2cc1[C@H]3O
Compound: ent-6beta-Hydroxybuphanisine
SMILES: CO[C@H]1C[C@@H]2N3CC[C@@]2(C=C1)c1cc2OCOc2cc1[C@@H]3O
Compound: gamma-Oryzanol (TN)
SMILES: C1[C@@H](C([C@]2([C@]3(C1)[C@]4([C@@](CC2)([C@]5([C@](CC4)([C@](CC5)([C@H](C)CCC=C(C)C)[H])C)C)[H])C3)[H])(C)C)OC(/C=C/C6=CC(=C(C=C6)O)OC)=O
Compound: gamma-Terpinyl acetate
SMILES: CC(=O)OC1(C)CCC(CC1)=C(C)C
Compound: m-Chlorophenylbiguanide
SMILES: NC(=N)NC(=N)Nc1cccc(Cl)c1
Compound: n-decanohydroxamic acid
SMILES: CCCCCCCCCC(=O)NO
Compound: p-Hydroxypropiophenone
SMILES: CCC(=O)c1ccc(O)cc1
Compound: ethyl 4-nitrophenyl ethylphosphonate
SMILES: C=1C=C(OP(OCC)(CC)=O)C=CC1[N+]([O-])=O
Compound: 4-hydroxybenzenesulfonic acid
SMILES: Oc1ccc(cc1)S(O)(=O)=O
Compound: pi-Oxocamphor
SMILES: [C@]12(C(C[C@H](CC1)C2(C=O)C)=O)C
Compound: 2,3-dihydroxy-trans-cinnamic acid
SMILES: OC(=O)\C=C\c1cccc(O)c1O
Compound: trans-3-coumaric acid
SMILES: OC(=O)\C=C\c1cccc(O)c1
Compound: icosanoate
SMILES: CCCCCCCCCCCCCCCCCCCC([O-])=O
Compound: nonanoate
SMILES: CCCCCCCCC([O-])=O
Compound: heptanoate
SMILES: CCCCCCC([O-])=O
Compound: 3-dehydroquinate
SMILES: O[C@@H]1C[C@@](O)(CC(=O)[C@H]1O)C([O-])=O
Compound: heptadecanoic acid
SMILES: CCCCCCCCCCCCCCCCC(O)=O
Compound: margarate
SMILES: CCCCCCCCCCCCCCCCC([O-])=O
Compound: undecanoic acid
SMILES: CCCCCCCCCCC(O)=O
Compound: undecanoate
SMILES: CCCCCCCCCCC([O-])=O
Compound: butein
SMILES: OC1=CC(O)=C(C=C1)C(=O)\C=C\C1=CC(O)=C(O)C=C1
Compound: myristoleate
SMILES: CCCC\C=C/CCCCCCCC([O-])=O
Compound: palmitoleate
SMILES: CCCCCC\C=C/CCCCCCCC([O-])=O
Compound: 4-coumarate
SMILES: [H]C(=Cc1ccc(O)cc1)C([O-])=O
Compound: trans-4-coumaric acid
SMILES: OC(=O)\C=C\c1ccc(O)cc1
Compound: petroselinate
SMILES: C(C/C=C\CCCCCCCCCCC)CCC(=O)[O-]
Compound: petroselaidate
SMILES: C(=O)(CCCC/C=C/CCCCCCCCCCC)[O-]
Compound: cis,cis-muconate
SMILES: [O-]C(=O)\C=C/C=C\C([O-])=O
Compound: butenafine
SMILES: CN(Cc1ccc(cc1)C(C)(C)C)Cc1cccc2ccccc12
Compound: cis-4-decenoic acid
SMILES: CCCCC\C=C/CCC(O)=O
Compound: dec-9-enoic acid
SMILES: OC(=O)CCCCCCCC=C
Compound: (R)-mandelate
SMILES: O[C@@H](C([O-])=O)c1ccccc1
Compound: 6-hydroxyhexanoate
SMILES: OCCCCCC([O-])=O
Compound: mycomycin
SMILES: OC(=O)C\C=C\C=C/C=C=CC#CC#C
Compound: alpha-linolenate
SMILES: CC\C=C/C\C=C/C\C=C/CCCCCCCC([O-])=O
Compound: all-cis-octadeca-6,9,12,15-tetraenoic acid
SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(O)=O
Compound: gamma-linolenate
SMILES: CCCCC\C=C/C\C=C/C\C=C/CCCCC([O-])=O
Compound: (15Z)-tetracosenoate
SMILES: CCCCCCCC\C=C/CCCCCCCCCCCCCC([O-])=O
Compound: erucate
SMILES: CCCCCCCC\C=C/CCCCCCCCCCCC([O-])=O
Compound: arachidonate
SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC([O-])=O
Compound: 6-aminohexanoate
SMILES: NCCCCCC([O-])=O
Compound: 18-crown-6
SMILES: C1COCCOCCOCCOCCOCCO1
Compound: D-glyceric acid
SMILES: OC[C@@H](O)C(O)=O
Compound: 12-crown-4
SMILES: C1COCCOCCOCCO1
Compound: butoconazole
SMILES: Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1
Compound: 9-crown-3
SMILES: C1COCCOCCO1
Compound: 15-crown-5
SMILES: C1COCCOCCOCCOCCO1
Compound: catecholate(2-)
SMILES: [O-]c1ccccc1[O-]
Compound: thien-2-ylacetate
SMILES: [O-]C(=O)Cc1cccs1
Compound: benzenesulfinic acid
SMILES: OS(=O)c1ccccc1
Compound: parinaric acid
SMILES: CCC=CC=CC=CC=CCCCCCCCC(O)=O
Compound: (9Z,11E,13E,15Z)-octadecatetraenoic acid
SMILES: CC\C=C/C=C/C=C/C=C\CCCCCCCC(O)=O
Compound: butoconazole nitrate
SMILES: O[N+]([O-])=O.Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1
Compound: trans-parinaric acid
SMILES: CC\C=C\C=C\C=C\C=C\CCCCCCCC(O)=O
Compound: octadeca-10,12-diynoic acid
SMILES: C(CCCCCCCCC#CC#CCCCCC)(=O)O
Compound: cis-parinarate
SMILES: CC\C=C/C=C/C=C/C=C\CCCCCCCC([O-])=O
Compound: trans-parinarate
SMILES: CC\C=C\C=C\C=C\C=C\CCCCCCCC([O-])=O
Compound: gadoleic acid
SMILES: CCCCCCCCCC\C=C/CCCCCCCC(O)=O
Compound: butorphanol
SMILES: Oc1ccc2C[C@H]3N(CC[C@@]4(CCCC[C@@]34O)c2c1)CC1CCC1
Compound: gadoleate
SMILES: CCCCCCCCCC\C=C/CCCCCCCC([O-])=O
Compound: gadelaidic acid
SMILES: CCCCCCCCCC\C=C\CCCCCCCC(O)=O
Compound: gadelaidate
SMILES: CCCCCCCCCC\C=C\CCCCCCCC([O-])=O
Compound: (11Z)-icos-11-enoic acid
SMILES: C(=O)(CCCCCCCCC/C=C\CCCCCCCC)O
Compound: gondoate
SMILES: CCCCCCCC\C=C/CCCCCCCCCC([O-])=O
Compound: cetoleic acid
SMILES: CCCCCCCCCC\C=C/CCCCCCCCCC(O)=O
Compound: cetoleate
SMILES: CCCCCCCCCC\C=C/CCCCCCCCCC([O-])=O
Compound: butorphanol D-tartrate
SMILES: O[C@@H]([C@H](O)C(O)=O)C(O)=O.Oc1ccc2C[C@H]3N(CC[C@@]4(CCCC[C@@]34O)c2c1)CC1CCC1
Compound: L-alaninate
SMILES: C[C@H](N)C([O-])=O
Compound: L-alaninium
SMILES: C[C@H]([NH3+])C(O)=O
Compound: D-alaninate
SMILES: C[C@@H](N)C([O-])=O
Compound: D-alaninium
SMILES: C[C@@H]([NH3+])C(O)=O
Compound: alaninate
SMILES: CC(N)C([O-])=O
Compound: butrin
SMILES: OC[C@H]1O[C@@H](Oc2ccc3C(=O)C[C@H](Oc3c2)c2ccc(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)[C@H](O)[C@@H](O)[C@@H]1O