MonarchInit/C3PO huggingface dataset:
Compound: Pulvomycin
SMILES: CO[C@H]1[C@@H](C)O[C@@H](OC(C)C(O)\C=C\C=C\C=C\C(=O)C(C)C(O)C(C)C2C\C=C\C=C\C=C\C(O)C(=O)\C(C)=C\C=C\C(C)=C\C(O)\C(C)=C/CC(=O)O2)[C@H](OC)[C@H]1O
Compound: pyochelin
SMILES: [H][C@@]1(CSC(=N1)c1ccccc1O)C1SC[C@H](N1C)C(O)=O
Compound: BQ 518
SMILES: CC(C)C[C@@H]1NC(=O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)c1cccs1
Compound: Ramoplanin
SMILES: CC(C)C\C=C\C=C/C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](CCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](CCCN)NC(=O)[C@H](NC1=O)c1ccc(O)cc1)[C@@H](C)O)c1ccc(O)cc1)c1ccc(O)cc1)[C@H](C)O)c1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc1)[C@@H](C)O)c1ccc(O)cc1)c1ccc(O)c(Cl)c1)C(N)=O
Compound: Resistomycin
SMILES: Cc1cc(O)c2C(=O)c3c(O)cc(O)c4C(=O)C(C)(C)c5cc(O)c1c2c5-c34
Compound: resorcinol monoacetate
SMILES: CC(=O)Oc1cccc(O)c1
Compound: rifamycin SV
SMILES: CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c(O)cc(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(O)c2c(O)c3C
Compound: SM-17466
SMILES: C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(Sc3nc(cs3)-c3cc[n+](CC(N)=O)cc3)=C(N2C1=O)C(O)=O
Compound: Saphenic acid
SMILES: CC(O)c1cccc2nc3c(cccc3nc12)C(O)=O
Compound: Saphenic acid methyl ester
SMILES: COC(=O)c1cccc2nc3c(cccc3nc12)C(C)O
Compound: sodium arsenite
SMILES: [Na+].[O-][As]=O
Compound: Soyasaponin II
SMILES: C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2O[C@@H]2[C@@H](O)[C@H](O)[C@H](O[C@H]2O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)C[C@@H](O)[C@]5(C)CC[C@@]43C)[C@@]2(C)CO)C(O)=O)[C@H](O)[C@H](O)[C@H]1O
Compound: bacampicillin
SMILES: [H][C@]12SC(C)(C)[C@@]([H])(N1C(=O)[C@H]2NC(=O)[C@H](N)c1ccccc1)C(=O)OC(C)OC(=O)OCC
Compound: Sulfamycin B
SMILES: CO[C@H]1NC(=O)c2nc(oc2C)\C(NC(=O)[C@@H](NC(=O)c2csc(n2)-c2ccc(nc2-c2coc(n2)C(=C)NC(=O)C(=C)NC(=O)c2nc(oc2C)\C(NC(=O)c2csc1n2)=C\C)C(=O)NC(=C)C(=O)NC(=C)C(=O)NC(=C)C(N)=O)[C@@H](C)O)=C\C(C)O
Compound: telithromycin
SMILES: C[C@@]12[C@](N(C(O1)=O)CCCCN3C=C(N=C3)C=4C=CC=NC4)([C@@H](C)C(=O)[C@H](C)C[C@](OC)(C)[C@@H]([C@H](C([C@](C(O[C@@H]2CC)=O)(C)[H])=O)C)O[C@]5([C@H](O)[C@@H](N(C)C)C[C@H](O5)C)[H])[H]
Compound: 3,4-dimethoxybenzoic acid
SMILES: COc1ccc(cc1OC)C(O)=O
Compound: Telomestatin
SMILES: Cc1oc2nc1-c1nc(c(C)o1)-c1nc(co1)-c1nc(co1)-c1nc(co1)-c1nc(co1)-c1nc(co1)C1=NC2CS1
Compound: bacampicillin hydrochloride
SMILES: [H+].[Cl-].[H][C@]12SC(C)(C)[C@@]([H])(N1C(=O)[C@H]2NC(=O)[C@H](N)c1ccccc1)C(=O)OC(C)OC(=O)OCC
Compound: Tetraphyllicine
SMILES: C\C=C1\CN2[C@H]3C[C@]45[C@H](O)C3[C@H]1C[C@H]2[C@@H]4N(C)c1ccccc51
Compound: Thiocillin
SMILES: C\C=C(/NC(=O)c1csc(n1)-c1csc(n1)-c1ccc2-c3nc(cs3)C(=O)N[C@@H]([C@@H](C)O)C(=O)N\C(=C/C)c3nc(cs3)C(=O)N[C@H](C(C)C)c3nc(cs3)C(=O)N[C@@H](C(C)C)c3nc(cs3)-c2n1)C(=O)NC[C@H](C)O
Compound: thiostrepton
SMILES: [H][C@]12N=C(CC[C@@]11NC(=O)[C@H](C)NC(=O)C(=C)NC(=O)[C@H](C)NC(=O)[C@@H](N[C@@H]3C=Cc4c(cc(nc4[C@H]3O)C(=O)O[C@H](C)[C@H](NC(=O)c3csc(n3)[C@@H](NC(=O)[C@H]3CSC(=N3)\C(NC(=O)[C@@H](NC(=O)c3csc1n3)[C@@H](C)O)=C\C)[C@](C)(O)[C@@H](C)O)c1nc2cs1)[C@H](C)O)[C@@H](C)CC)c1nc(cs1)C(=O)NC(=C)C(=O)NC(=C)C(N)=O
Compound: thiotropocin
SMILES: OC1=CC=CC(=S)C2=C1C(=O)OS2
Compound: tylactone
SMILES: CC[C@H]1C[C@@H](C)C(=O)\C=C\C(\C)=C\[C@H](C)[C@@H](CC)OC(=O)C[C@@H](O)[C@H](C)[C@H]1O
Compound: tyrocidine A
SMILES: [H][C@@]1(Cc2ccc(O)cc2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@]2([H])CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN)NC(=O)[C@@H](NC1=O)C(C)C
Compound: undecylprodigiosin
SMILES: CCCCCCCCCCCC1=CC=C(N1)\C=C1/N=C(C=C1OC)C1=CC=CN1
Compound: validamycin A
SMILES: OC[C@H]1C[C@H](N[C@H]2C=C(CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Compound: valiolone
SMILES: [C@@H]1(C(C[C@]([C@H]([C@@H]1O)O)(O)CO)=O)O
Compound: Valnemulin
SMILES: CC(C)C(N)C(=O)NCC(C)(C)SCC(=O)O[C@@H]1C[C@@](C)(C=C)[C@@H](O)[C@H](C)[C@]23CCC(=O)[C@H]2[C@@]1(C)C(C)CC3
Compound: 10-deoxymethymycin
SMILES: CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)C[C@@H](C)C(=O)\C=C\[C@H]1C
Compound: yersiniabactin
SMILES: C=1C=CC(=C(C1)C2=N[C@](CS2)(C3SC[C@](N3)([C@H](C(C4=N[C@](CS4)(C(O)=O)C)(C)C)O)[H])[H])O
Compound: Zinc gluconate
SMILES: OC[C@@H](O)[C@H]([C@H](O)[C@@H](O)C(=O)[O-])O.[Zn+2].OC[C@@H](O)[C@H]([C@H](O)[C@@H](O)C(=O)[O-])O
Compound: Zn-Bacterio-chlorophyll a
SMILES: C(C[C@@H](CCC[C@H](C)CCCC(C)C)C)C/C(=C/COC(=O)CC[C@@]1(C=2C3=C4N5C(=CC=6[C@@H]([C@@H](C)C(N6)=CC=7N([Zn]5)C(=C(C)C7C(C)=O)C=C(N2)[C@H]1C)CC)C(=C4C(=O)[C@@H]3C(OC)=O)C)[H])/C
Compound: backebergine
SMILES: COc1cc2ccncc2cc1OC
Compound: alpha-Arbutin
SMILES: OC[C@H]1O[C@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
Compound: alpha-D-Glucopyranose, 2-deoxy-2-(dimethylamino)
SMILES: CN(C)[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O
Compound: beta-Fabatriose
SMILES: C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@H]2[C@H](O)O[C@@H]([C@@H](O)[C@@H]2O)C(O)=O)[C@H](O)[C@H](O)[C@H]1O
Compound: cis-2-Methyl-5-isopropylhexa-2,5-dienoyl-CoA
SMILES: CC(C)C(=C)C\C=C(\C)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: dTDP 1-ester with (6S)-5,6-dihydro-4-hydroxy-6-methyl-5-oxo-2H-pyran
SMILES: C[C@@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)C=C(O)C1=O
Compound: dTDP 1-ester with 2,6-dideoxy-L-erythro-hexopyranos-3-ulose
SMILES: C[C@@H]1O[C@@H](CC(=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: baclofen
SMILES: NCC(CC(O)=O)c1ccc(Cl)cc1
Compound: dTDP-4-oxo-2,6-dideoxy-D-allose
SMILES: C[C@H]1O[C@@H](C[C@H](O)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-4-oxo-2,6-dideoxy-L-mannose
SMILES: C[C@@H]1O[C@@H](C[C@H](O)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-6-deoxy-alpha-D-allose
SMILES: C[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)[C@H](O)[C@H](O)[C@@H]1O
Compound: dTDP-alpha-D-mycaminose
SMILES: C[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)[C@H](O)[C@H]([C@@H]1O)N(C)C
Compound: dTDP-D-olivose
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-L-megosamine
SMILES: C[C@@H]1O[C@@H](C[C@H]([C@H]1O)N(C)C)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-L-oleandrose
SMILES: CO[C@H]1C[C@@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)O[C@@H](C)[C@@H]1O
Compound: dTDP-L-olivose
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: omega-Cycloheptylundecanoic acid
SMILES: OC(=O)CCCCCCCCCCC1CCCCCC1
Compound: omega-Cyclohexylundecanoic acid
SMILES: OC(=O)CCCCCCCCCCC1CCCCC1
Compound: 4-amino-L-phenylalanine
SMILES: C1=CC(=CC=C1C[C@@H](C(O)=O)N)N
Compound: 5alpha,9beta,10alpha-labda-8(20),13-dien-15-yl diphosphate
SMILES: [H][C@@]12CCC(=C)[C@@H](CC\C(C)=C\COP(O)(=O)OP(O)(O)=O)[C@@]1(C)CCCC2(C)C
Compound: trans-2-Methyl-5-isopropylhexa-2,5-dienoyl-CoA
SMILES: CC(C)C(=C)C\C=C(/C)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: 3-oxododecanoate
SMILES: CCCCCCCCCC(=O)CC([O-])=O
Compound: lithocholate
SMILES: [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@@]34[H])[C@H](C)CCC([O-])=O)[C@@]1(C)CC[C@@H](O)C2
Compound: barbiturate
SMILES: O=C1CC(=O)[N-]C(=O)N1
Compound: glycocholate
SMILES: [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC(=O)NCC([O-])=O
Compound: cholate
SMILES: [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC([O-])=O
Compound: chorismate(2-)
SMILES: O[C@@H]1C=CC(=C[C@H]1OC(=C)C([O-])=O)C([O-])=O
Compound: trans-ferulate
SMILES: COc1cc(\C=C\C([O-])=O)ccc1O
Compound: 3-(indol-3-yl)pyruvic acid
SMILES: OC(=O)C(=O)Cc1c[nH]c2ccccc12
Compound: (-)-quinate
SMILES: O[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1O)C([O-])=O
Compound: arsonite(2-)
SMILES: [H][As]([O-])[O-]
Compound: arsonate(2-)
SMILES: [H][As]([O-])([O-])=O
Compound: arsanebis(ylium)
SMILES: [As++][H]
Compound: aminoxyl
SMILES: [H]N([H])[O]
Compound: hydroxyazanyl
SMILES: [H][N]O[H]
Compound: aminooxidanide
SMILES: [H]N([H])[O-]
Compound: carbidoselanidonitrogen
SMILES: [SeH][N+]#[C-]
Compound: (methylidyneammoniumyl)selanide
SMILES: [Se]=N#C
Compound: isoselenocyanic acid
SMILES: N=C=[Se]
Compound: Bacterio-pheophytins
SMILES: CC[C@@H]1[C@@H](C)c2cc3[nH]c(cc4nc([C@@H](CCC(=O)OCC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H]4C)c4[C@@H](C(=O)OC)C(=O)c5c(C)c(cc1n2)[nH]c45)c(C)c3C(C)=O
Compound: isochorismate(2-)
SMILES: O[C@@H]1[C@@H](OC(=C)C([O-])=O)C=CC=C1C([O-])=O
Compound: (dioxido)oxidocarbonate(.1-)
SMILES: [O-]O[C]=O
Compound: hydroxidodioxidocarbon(.)
SMILES: [H]OC([O])=O
Compound: baicalein
SMILES: OC1=C(O)C(O)=C2C(=O)C=C(OC2=C1)C1=CC=CC=C1
Compound: (hydridodioxido)oxidocarbon(.)
SMILES: [H]OO[C]=O
Compound: hydridodioxygen(1+)
SMILES: [H][O+]=O
Compound: trioxidonitrate(.2-)
SMILES: [O]N([O-])[O-]
Compound: oxidodinitrate(.1-)
SMILES: [N-]=[N]=O
Compound: bis(oxidonitrate)(N--N)(.1-)
SMILES: [O-][N]N=O
Compound: dinitrogen trioxide
SMILES: [O-][N+](=O)N=O
Compound: 5,6,7-trimethoxyflavone
SMILES: COc1cc2oc(cc(=O)c2c(OC)c1OC)-c1ccccc1
Compound: mu-oxidobis(oxidonitrogen)
SMILES: O=NON=O
Compound: trioxido-1kappa(2)O,2kappaO-dinitrate(N--N)(2-)
SMILES: [O-]N([O-])N=O
Compound: dinitrogen pentaoxide
SMILES: [O-][N+](=O)O[N+]([O-])=O
Compound: dinitrogen tetraoxide
SMILES: [O-][N+](=O)[N+]([O-])=O
Compound: 1,2-dinitrosodioxidane
SMILES: O=NOON=O
Compound: fumarate(2-)
SMILES: [O-]C(=O)\C=C\C([O-])=O
Compound: glycyrrhizinate(3-)
SMILES: [H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](O[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C([O-])=O)C([O-])=O)C(C)(C)[C@]3([H])CC[C@@]12C)C([O-])=O
Compound: nitridooxidocarbon(.)
SMILES: [O]C#N
Compound: baicalin
SMILES: O[C@@H]1[C@@H](O)[C@H](OC2=CC3=C(C(=O)C=C(O3)C3=CC=CC=C3)C(O)=C2O)O[C@@H]([C@H]1O)C(O)=O
Compound: fulminate
SMILES: [O-][N+]#[C-]
Compound: nitridooxidocarbonate(.2-)
SMILES: [O-][C]=[N-]
Compound: fulminic acid
SMILES: [H]C#[N+][O-]
Compound: isofulminic acid
SMILES: O[N+]#[C-]
Compound: (hydridonitrato)oxidocarbonate(.1-)
SMILES: [O-][C]=N
Compound: hydroxidonitridocarbonate(.1-)
SMILES: O[C]=[N-]
Compound: oxalonitrile(.1-)
SMILES: [N-]=[C]C#N
Compound: Baileyin
SMILES: C\C1=C\[C@@H](O)C[C@@]2(C)O[C@@H]2C[C@H]2[C@H](C1)OC(=O)C2=C
Compound: dioxidosulfate(.1-)
SMILES: [O]S[O-]
Compound: dioxidosulfate(2-)
SMILES: [O-]S[O-]
Compound: oxidosulfur(.1+)
SMILES: O=[S+]
Compound: oxidosulfate(.1-)
SMILES: [O][S-]
Compound: Bakankoside
SMILES: OC[C@H]1O[C@@H](O[C@@H]2OC=C3[C@@H](CCNC3=O)[C@H]2C=C)[C@H](O)[C@@H](O)[C@@H]1O
Compound: Bakkenolide A
SMILES: C[C@H]1CCC[C@@H]2C[C@@]3(C[C@]12C)C(=C)COC3=O
Compound: arsinic acid
SMILES: [H]O[As]([H])([H])=O
Compound: trihydridoarsenic(.1+)
SMILES: [H][As+]([H])[H]
Compound: trihydridoarsenate(.1-)
SMILES: [H][As-]([H])[H]
Compound: arsinous acid
SMILES: [H]O[As]([H])[H]
Compound: arsinite
SMILES: [H][As]([H])[O-]
Compound: arsinate
SMILES: [H][As]([H])([O-])=O
Compound: Balfourodine
SMILES: COc1cccc2c1n(C)c1O[C@H](Cc1c2=O)C(C)(C)O
Compound: arsonic acid
SMILES: [H][As](O)(O)=O
Compound: phenylarsonic acid
SMILES: O[As](O)(=O)c1ccccc1
Compound: methylarsonic acid
SMILES: C[As](O)(O)=O
Compound: Balfourodinium
SMILES: COc1cccc2c(OC)c3C[C@@H](Oc3[n+](C)c12)C(C)(C)O
Compound: perylene
SMILES: c1cc2cccc3c4cccc5cccc(c(c1)c23)c45
Compound: coronene
SMILES: c1cc2ccc3ccc4ccc5ccc6ccc1c1c2c3c4c5c61
Compound: benzo[a]pyrene
SMILES: c1ccc2c(c1)cc1ccc3cccc4ccc2c1c34
Compound: arsenite(3-)
SMILES: [O-][As]([O-])[O-]
Compound: Baliospermin
SMILES: CCCCCCCCCCCC(=O)O[C@@]12C[C@@H](C)[C@]3(O)[C@@H]4C=C(C)C(=O)[C@@]4(O)[C@H](O)[C@@]4(CO)O[C@H]4[C@H]3[C@@H]1C2(C)C
Compound: oxidobromine(1+)
SMILES: O=[Br+]
Compound: bromidodioxygen(.)
SMILES: [O]OBr
Compound: Baloxine
SMILES: COC(=O)C1=C2Nc3ccccc3[C@@]22CCN3CC(=O)C[C@](C1)([C@H](C)O)[C@@H]23
Compound: dioxidobromine(1+)
SMILES: O=[Br+]=O
Compound: trioxidobromine(1+)
SMILES: O=[Br+](=O)=O
Compound: bromine trioxide
SMILES: [O]Br(=O)=O
Compound: diphosphoric acid
SMILES: OP(O)(=O)OP(O)(O)=O
Compound: Balsoxine
SMILES: COc1ccc(cc1OC)-c1cnc(o1)-c1ccccc1
Compound: bromine tetraoxide
SMILES: [O][Br](=O)(=O)=O
Compound: oxidoiodine(1+)
SMILES: O=[I+]
Compound: (R)-(+)-citronellal
SMILES: [H]C(=O)C[C@H](C)CCC=C(C)C
Compound: Baptifoline
SMILES: O[C@H]1CCN2C[C@@H]3C[C@H](Cn4c3cccc4=O)[C@H]2C1
Compound: oxidoiodate(.2-)
SMILES: [O-][I-]
Compound: iodidodioxygen(.)
SMILES: [O]OI
Compound: dioxidoiodine(1+)
SMILES: O=[I+]=O
Compound: iodine trioxide
SMILES: [O]I(=O)=O
Compound: trioxidoiodine(1+)
SMILES: O=[I+](=O)=O
Compound: aloin A
SMILES: [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]1([H])c2cccc(O)c2C(=O)c2c(O)cc(CO)cc12
Compound: iodine tetraoxide
SMILES: [O]I(=O)(=O)=O
Compound: (TBPY-5)-pentaoxoiodate(3-)
SMILES: [O-]I([O-])([O-])(=O)=O
Compound: nonaoxidodiiodate(4-)
SMILES: [O-]I12([O-])(=O)OI([O-])([O-])(=O)(O1)O2
Compound: diiodine pentaoxide
SMILES: O=I(=O)OI(=O)=O
Compound: barbinine
SMILES: [H][C@]12C[C@]3([H])[C@]([H])(C1=O)[C@](O)(C[C@@H]2OC)[C@@]1(O)[C@@H](OC)[C@]2([H])[C@]4(CC[C@H](OC)[C@@]32C1N(CC)C4)COC(=O)c1ccccc1N1C(=O)C[C@H](C)C1=O
Compound: phosphoramidate
SMILES: NP([O-])([O-])=O
Compound: hydrogenselenite
SMILES: O[Se]([O-])=O
Compound: hydroxidotrioxidophosphate(.1-)
SMILES: [H]OP([O])([O-])=O
Compound: hydroxidooxidophosphate(.1-)
SMILES: O[P][O-]
Compound: hydroxidodioxidophosphate(.1-)
SMILES: [H]OP([O])[O-]
Compound: (dioxido)hydroxidodioxidophosphate(.1-)
SMILES: [H]OP([O-])(=O)O[O]
Compound: (dioxido)hydroxidodioxidosulfur(.)
SMILES: [H]OS(=O)(=O)O[O]
Compound: trioxidophosphate(.2-)
SMILES: [O]P([O-])[O-]
Compound: dihydroxidodioxidophosphorus(.)
SMILES: [H]OP([O])(=O)O[H]
Compound: tetraoxidophosphate(.2-)
SMILES: [O]P([O-])([O-])=O
Compound: (dioxido)trioxidophosphate(.2-)
SMILES: [O]OP([O-])([O-])=O
Compound: (1s,4s)-prephenate(2-)
SMILES: O[C@H]1C=C[C@](CC(=O)C([O-])=O)(C=C1)C([O-])=O
Compound: hydridophosphorus(.) (triplet)
SMILES: [P][H]
Compound: barringtogenol C
SMILES: CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@@]2(CO)[C@@H](O)[C@@H]1O
Compound: hydridophosphorus(1+)
SMILES: [P][H+]
Compound: hydridophosphate(1-)
SMILES: [P-][H]
Compound: hydridophosphorus(2+)
SMILES: [P++][H]
Compound: quinolinate(2-)
SMILES: [O-]C(=O)c1cccnc1C([O-])=O
Compound: Batatasin I
SMILES: COc1cc(OC)c2c(ccc3cc(OC)c(O)cc23)c1
Compound: Batatasin IV
SMILES: C1=C(C=C(C=C1O)CCC=2C=CC=CC2O)OC
Compound: L-glutamate(1-)
SMILES: [NH3+][C@@H](CCC([O-])=O)C([O-])=O
Compound: D-glutamate(1-)
SMILES: [NH3+][C@H](CCC([O-])=O)C([O-])=O
Compound: glutamate(2-)
SMILES: NC(CCC([O-])=O)C([O-])=O
Compound: L-glutamate(2-)
SMILES: N[C@@H](CCC([O-])=O)C([O-])=O
Compound: D-glutamate(2-)
SMILES: N[C@H](CCC([O-])=O)C([O-])=O
Compound: bayogenin 3-O-cellobioside
SMILES: [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@@](C)(CO)[C@]3([H])CC[C@@]12C)C(O)=O
Compound: D-aspartate(1-)
SMILES: [NH3+][C@H](CC([O-])=O)C([O-])=O
Compound: L-aspartate(1-)
SMILES: [NH3+][C@@H](CC([O-])=O)C([O-])=O
Compound: L-aspartate(2-)
SMILES: N[C@@H](CC([O-])=O)C([O-])=O
Compound: D-aspartate(2-)
SMILES: N[C@H](CC([O-])=O)C([O-])=O
Compound: aspartate(2-)
SMILES: NC(CC([O-])=O)C([O-])=O
Compound: (+)-Mecambroline
SMILES: CN1CCc2cc3OCOc3c3-c4cc(O)ccc4C[C@H]1c23
Compound: (R)-(+)-alpha-terpineol
SMILES: [H][C@]1(CCC(C)=CC1)C(C)(C)O
Compound: beauvericin
SMILES: CC(C)[C@H]1OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](OC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(C)C)C(C)C
Compound: D-selenocysteine
SMILES: N[C@H](C[SeH])C(O)=O
Compound: beclomethasone
SMILES: [H][C@@]12C[C@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C
Compound: beclomethasone dipropionate
SMILES: [H][C@@]12C[C@H](C)[C@](OC(=O)CC)(C(=O)COC(=O)CC)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C
Compound: L-selenomethionine
SMILES: C([C@H](CC[Se]C)N)(O)=O
Compound: D-selenomethionine
SMILES: C[Se]CC[C@@H](N)C(O)=O
Compound: trans-sinapate
SMILES: COc1cc(cc(OC)c1O)\C=C\C([O-])=O
Compound: hexaaquasodium(1+)
SMILES: [H][O]([H])[Na+]([O]([H])[H])([O]([H])[H])([O]([H])[H])([O]([H])[H])[O]([H])[H]
Compound: hexaamminecobalt(3+)
SMILES: [NH3+][Co-3]([NH3+])([NH3+])([NH3+])([NH3+])[NH3+]
Compound: hexaaquacobalt(3+)
SMILES: [H][O]([H])[Co+3]([O]([H])[H])([O]([H])[H])([O]([H])[H])([O]([H])[H])[O]([H])[H]
Compound: succinate(2-)
SMILES: [O-]C(=O)CCC([O-])=O
Compound: hexaaquamagnesium(2+)
SMILES: [H][O]([H])[Mg++]([O]([H])[H])([O]([H])[H])([O]([H])[H])([O]([H])[H])[O]([H])[H]
Compound: bacteriochlorophyll a
SMILES: CC[C@@H]1[C@@H](C)C2=Cc3c(C(C)=O)c(C)c4C=C5[C@@H](C)[C@H](CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C6=[N+]5[Mg--]5(n34)n3c(=CC1=[N+]25)c(C)c1C(=O)[C@H](C(=O)OC)C6=c31
Compound: (7R,8Z)-bacteriochlorophyll b
SMILES: COC(=O)[C@H]1C(=O)c2c(C)c3=CC4=N\C(=C/c5c(C(C)=O)c(C)c6\C=C7/N=C([C@@H](CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H]7C)C1=c2n3[Mg]n56)[C@H](C)C/4=C/C
Compound: heptaaquacalcium(2+)
SMILES: [H][O]([H])[Ca++]([O]([H])[H])([O]([H])[H])([O]([H])[H])([O]([H])[H])([O]([H])[H])[O]([H])[H]
Compound: taxa-4,11-diene
SMILES: [H][C@]12CCC(C)=C(CC[C@]3(C)CCC=C(C)[C@@]3([H])C1)C2(C)C
Compound: taxa-4(20),11-dien-5alpha-ol
SMILES: CC1=C2CC[C@]3(C)CC[C@H](O)C(=C)[C@H]3C[C@H](CC1)C2(C)C
Compound: Beiwutine
SMILES: COC[C@]12CN(C)C3[C@@H]4[C@H](OC)[C@H]1[C@@]3([C@H](C[C@H]2O)OC)[C@]1(O)C[C@@]2(O)[C@H](OC(=O)c3ccccc3)[C@@H]1[C@]4(OC(C)=O)[C@@H](O)[C@@H]2OC
Compound: taxa-4(20),11-dien-5alpha,13alpha-diol
SMILES: [H][C@]12C[C@H](O)C(C)=C(CC[C@]3(C)CC[C@H](O)C(=C)[C@@]3([H])C1)C2(C)C
Compound: taxa-4(20),11-dien-5alpha-yl acetate
SMILES: [H][C@]12CCC(C)=C(CC[C@]3(C)CC[C@H](OC(C)=O)C(=C)[C@@]3([H])C1)C2(C)C
Compound: terephthalate(2-)
SMILES: [O-]C(=O)c1ccc(cc1)C([O-])=O
Compound: divanadium pentaoxide
SMILES: O=[V](=O)O[V](=O)=O
Compound: oxidovanadium(2+)
SMILES: O=[V++]
Compound: dioxidovanadium(1+)
SMILES: O=[V+]=O
Compound: belladine
SMILES: COc1ccc(CCN(C)Cc2ccc(OC)c(OC)c2)cc1
Compound: tetrachlorocobaltate(2-)
SMILES: Cl[Co--](Cl)(Cl)Cl
Compound: tetrachlorocuprate(2-)
SMILES: Cl[Cu--](Cl)(Cl)Cl
Compound: tetrachloroaurate(1-)
SMILES: Cl[Au-](Cl)(Cl)Cl
Compound: potassium dicyanoaurate(1-)
SMILES: [K+].N#C[Au-]C#N
Compound: sodium dicyanoaurate(1-)
SMILES: [Na+].N#C[Au-]C#N
Compound: potassium hexacyanoferrate(4-)
SMILES: [K+].[K+].[K+].[K+].N#C[Fe-4](C#N)(C#N)(C#N)(C#N)C#N
Compound: Belladonnine
SMILES: CN1C2CCC1C[C@H](C2)OC(=O)[C@H]1CC[C@](C(=O)O[C@H]2CC3CCC(C2)N3C)(c2ccccc2)c2ccccc12
Compound: potassium hexacyanoferrate(3-)
SMILES: [K+].[K+].[K+].N#C[Fe-3](C#N)(C#N)(C#N)(C#N)C#N
Compound: sodium hexacyanoferrate(4-)
SMILES: [Na+].[Na+].[Na+].[Na+].N#C[Fe-4](C#N)(C#N)(C#N)(C#N)C#N
Compound: sodium hexacyanoferrate(3-)
SMILES: [Na+].[Na+].[Na+].N#C[Fe-3](C#N)(C#N)(C#N)(C#N)C#N
Compound: dioxidanedicarbonitrile
SMILES: N#COOC#N
Compound: thioglycolate(1-)
SMILES: [O-]C(=O)CS
Compound: ammonium hexacyanoferrate(4-)
SMILES: [NH4+].[NH4+].[NH4+].[NH4+].N#C[Fe-4](C#N)(C#N)(C#N)(C#N)C#N
Compound: ammonium hexacyanoferrate(3-)
SMILES: [NH4+].[NH4+].[NH4+].N#C[Fe-3](C#N)(C#N)(C#N)(C#N)C#N
Compound: ferric ferrocyanide
SMILES: [Fe+3].[Fe+3].[Fe+3].[Fe+3].N#C[Fe-4](C#N)(C#N)(C#N)(C#N)C#N.N#C[Fe-4](C#N)(C#N)(C#N)(C#N)C#N.N#C[Fe-4](C#N)(C#N)(C#N)(C#N)C#N
Compound: Bellendine
SMILES: CN1C2CCC1c1c(C2)occ(C)c1=O
Compound: potassium tetracyanonickelate(4-)
SMILES: [K+].[K+].[K+].[K+].N#C[Ni-4](C#N)(C#N)C#N
Compound: potassium tetracyanonickelate(2-)
SMILES: [K+].[K+].N#C[Ni--](C#N)(C#N)C#N
Compound: tetraoxidochromate(3-)
SMILES: [O-][Cr]([O-])([O-])=O
Compound: tetraoxidochromate(4-)
SMILES: [O-][Cr]([O-])([O-])[O-]
Compound: dibromine(.1+)
SMILES: Br[Br+]
Compound: dibromide(.1-)
SMILES: Br[Br-]
Compound: gold trichloride
SMILES: Cl[Au](Cl)Cl
Compound: gold trifluoride
SMILES: F[Au](F)F
Compound: gold monochloride
SMILES: [Cl-].[Au+]
Compound: gold tribromide
SMILES: Br[Au](Br)Br
Compound: bellidifolin
SMILES: COc1cc(O)c2c(c1)oc1c(O)ccc(O)c1c2=O
Compound: gold pentafluoride
SMILES: F[Au](F)(F)(F)F
Compound: dicarbide(2-)
SMILES: [C-]#[C-]
Compound: dicarbide(1.-)
SMILES: [C]#[C-]
Compound: dicarbon(1+)
SMILES: [C]#[C+]
Compound: guanidinium
SMILES: NC(N)=[NH2+]
Compound: gibberellin A12
SMILES: [H][C@@]12CC[C@@H]3C[C@]1(CC3=C)[C@@H](C(O)=O)[C@]1([H])[C@@](C)(CCC[C@@]21C)C(O)=O
Compound: hydrazinyl
SMILES: [H][N]N([H])[H]
Compound: diazynediium
SMILES: [H][N+]#[N+][H]
Compound: (-)-alpha-phellandrene
SMILES: [H][C@@]1(CC=C(C)C=C1)C(C)C
Compound: Benanomicin A
SMILES: COc1cc(O)c2C(=O)c3cc4[C@H](O)[C@@H](O[C@@H]5O[C@H](C)[C@H](O)[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O)c5cc(C)c(C(=O)NC(C)C(O)=O)c(O)c5-c4c(O)c3C(=O)c2c1
Compound: hydrazine-1,2-diide
SMILES: [NH-][NH-]
Compound: hydrazine-1,1-diide
SMILES: [H]N([H])[N--]
Compound: diazanetriide
SMILES: [H][N-][N--]
Compound: 4alpha-methyl-5alpha-ergosta-8,14,24(28)-trien-3beta-ol
SMILES: [H][C@@]12CCC3=C(CC[C@@]4(C)C3=CC[C@]4([H])[C@H](C)CCC(=C)C(C)C)[C@@]1(C)CC[C@H](O)[C@H]2C
Compound: benazepril
SMILES: CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCc2ccccc2N(CC(O)=O)C1=O
Compound: tetrachloroaluminate(1-)
SMILES: Cl[Al-](Cl)(Cl)Cl
Compound: tetrafluoroaluminate(1-)
SMILES: F[Al-](F)(F)F
Compound: di-mu-chloridobis(dichloridoaluminium)
SMILES: [Cl][Al-]1([Cl])[Cl+][Al-]([Cl])([Cl])[Cl+]1
Compound: aluminium trichloride
SMILES: Cl[Al](Cl)Cl
Compound: aluminium trichloride hexahydrate
SMILES: [H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].Cl[Al](Cl)Cl
Compound: dialuminide(1-)
SMILES: [Al+]=[Al--]
Compound: tetrachloroplatinate(2-)
SMILES: Cl[Pt--](Cl)(Cl)Cl
Compound: hexachloroplatinate(2-)
SMILES: Cl[Pt--](Cl)(Cl)(Cl)(Cl)Cl
Compound: benazepril hydrochloride
SMILES: C1C=2C(N(C([C@](C1)(N[C@H](C(=O)OCC)CCC3=CC=CC=C3)[H])=O)CC(O)=O)=CC=CC2.Cl
Compound: fluoridochlorine(1+)
SMILES: F[Cl+]
Compound: trifluorochlorine
SMILES: FCl(F)F
Compound: difluorochlorate(1-)
SMILES: F[Cl-]F
Compound: tetrafluorochlorate(1-)
SMILES: F[Cl-](F)(F)F
Compound: tetrafluorochlorine(1+)
SMILES: F[Cl+](F)(F)F
Compound: oxidoaluminium(1+)
SMILES: O=[Al+]
Compound: bendroflumethiazide
SMILES: NS(=O)(=O)c1cc2c(NC(Cc3ccccc3)NS2(=O)=O)cc1C(F)(F)F
Compound: oxidoaluminate(1-)
SMILES: [O-][Al]
Compound: chloridoaluminium(1+)
SMILES: [Al+]Cl
Compound: hydridoaluminium(1+)
SMILES: [Al+][H]
Compound: alumane
SMILES: [H][Al]([H])[H]
Compound: trihydridoaluminium(.1+)
SMILES: [H][Al+]([H])[H]
Compound: trihydridoaluminate(.1-)
SMILES: [H][Al-]([H])[H]
Compound: tetrahydroaluminate(1-)
SMILES: [H][Al-]([H])([H])[H]
Compound: benfuracarb
SMILES: CCOC(=O)CCN(SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12)C(C)C
Compound: sodium tetrahydroaluminate
SMILES: [Na+].[H][Al-]([H])([H])[H]
Compound: lithium tetrahydroaluminate
SMILES: [Li+].[H][Al-]([H])([H])[H]
Compound: hydridolithium(1+)
SMILES: [Li][H+]
Compound: hydridolithate(1-)
SMILES: [Li][H-]
Compound: benomyl
SMILES: CCCCNC(=O)n1c(NC(=O)OC)nc2ccccc12
Compound: trihydridoborate(.1-)
SMILES: [H][B-]([H])[H]
Compound: 5beta-pregnane-3,20-dione
SMILES: [H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@H](C(C)=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CCC(=O)C2
Compound: trihydridoboron(.1+)
SMILES: [H][B+]([H])[H]
Compound: 6,7-dihydropteridine
SMILES: C1CN=c2ncncc2=N1
Compound: borohydride
SMILES: [H][B-]([H])([H])[H]
Compound: boronium
SMILES: [H][B+]([H])([H])[H]
Compound: Benoxacor
SMILES: CC1COc2ccccc2N1C(=O)C(Cl)Cl
Compound: oxidoboron(1+)
SMILES: B#[O+]
Compound: diboron trioxide
SMILES: B(OB=O)=O
Compound: 5-diphospho-1D-myo-inositol pentakisphosphate
SMILES: OP(O)(=O)O[C@@H]1[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(=O)OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O
Compound: bensulfuron-methyl
SMILES: O=C(NS(CC=1C=CC=CC1C(OC)=O)(=O)=O)NC2=NC(=CC(=N2)OC)OC
Compound: perboric acid
SMILES: [H+].[H+].O[B-]1(O)OO[B-](O)(O)OO1
Compound: perborate(2-)
SMILES: O[B-]1(O)OO[B-](O)(O)OO1
Compound: disodium perborate hexahydrate
SMILES: [Na+].[Na+].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].O[B-]1(O)OO[B-](O)(O)OO1
Compound: hydroperoxo(trihydroxo)borate(1-)
SMILES: [H]OO[B-](O[H])(O[H])O[H]
Compound: sodium perborate
SMILES: [Na+].[Na+].O[B-]1(O)OO[B-](O)(O)OO1
Compound: bentazone
SMILES: CC(C)N1C(=O)c2ccccc2NS1(=O)=O
Compound: plumbane
SMILES: [H][Pb]([H])([H])[H]
Compound: tetraethyllead
SMILES: CC[Pb](CC)(CC)CC
Compound: tetramethyllead
SMILES: C[Pb](C)(C)C
Compound: tetraphenyllead
SMILES: c1ccc(cc1)[Pb](c1ccccc1)(c1ccccc1)c1ccccc1
Compound: hydroxidooxidoaluminium
SMILES: [H]O[Al]=O
Compound: hexaaquaaluminium(3+)
SMILES: [H][O]([H])[Al+3]([O]([H])[H])([O]([H])[H])([O]([H])[H])([O]([H])[H])[O]([H])[H]
Compound: diaquahydrogen(1+)
SMILES: [H][O]([H])[H+][O]([H])[H]
Compound: trioxidosilicate(.1-)
SMILES: [O][Si]([O-])=O
Compound: kaempferol 3-O-beta-D-glucoside
SMILES: C1(=C(C(C2=C(C=C(C=C2O1)O)O)=O)O[C@H]3[C@H](O)[C@H]([C@@H]([C@@H](CO)O3)O)O)C=4C=CC(O)=CC4
Compound: hexafluorophosphate(1-)
SMILES: F[P-](F)(F)(F)(F)F
Compound: phosphorus pentafluoride
SMILES: FP(F)(F)(F)F
Compound: tetrafluorophosphate(1-)
SMILES: F[P-](F)(F)F
Compound: tetrafluorophosphonium
SMILES: F[P+](F)(F)F
Compound: phosphorus trifluoride
SMILES: FP(F)F
Compound: fluorophosphoric acid
SMILES: OP(O)(F)=O
Compound: benzbromarone
SMILES: CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1
Compound: abieta-7,13-diene
SMILES: [H][C@]12CCC(=CC1=CC[C@@]1([H])C(C)(C)CCC[C@]21C)C(C)C
Compound: tetrafluoroammonium
SMILES: F[N+](F)(F)F
Compound: fluoridohydrogen(.1+)
SMILES: [F+][H]
Compound: uranium hexafluoride
SMILES: F[U](F)(F)(F)(F)F
Compound: difluorine(.1+)
SMILES: F[F+]
Compound: benzenamine sulfate(1-)
SMILES: [O-]S(=O)(=O)Nc1ccccc1
Compound: fluoridooxygen(1+)
SMILES: O=[F+]
Compound: linoleate
SMILES: CCCCC\C=C/C\C=C/CCCCCCCC([O-])=O
Compound: beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-D-Glc
SMILES: CC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Compound: N-formyl-L-kynurenine
SMILES: C1=CC=C(C(C(C[C@@H](C(=O)O)N)=O)=C1)NC(=O)[H]
Compound: tetracarbonylferrate(2-)
SMILES: N#C[Fe--](C#N)(C#N)C#N
Compound: pentacarbonyliron
SMILES: [O]#C[Fe](C#[O])(C#[O])(C#[O])C#[O]
Compound: disulfidocarbonate(.1-)
SMILES: [S-][C]=S
Compound: carbon monosulfide
SMILES: [C-]#[S+]
Compound: sulfidocarbon(.1+)
SMILES: [C]#[S+]
Compound: sulfidocarbonate(.1-)
SMILES: [C-]=S
Compound: trithiocarbonate
SMILES: [S-]C([S-])=S
Compound: 1,3,5-triazine
SMILES: c1ncncn1
Compound: cyromazine
SMILES: Nc1nc(N)nc(NC2CC2)n1
Compound: 1,3,5-triazinane-1,3,5-triol
SMILES: ON1CN(O)CN(O)C1
Compound: 2,4,6-tris(hydroxyamino)-1,3,5-triazine
SMILES: ONc1nc(NO)nc(NO)n1
Compound: terbutylazine
SMILES: CCNc1nc(Cl)nc(NC(C)(C)C)n1
Compound: simeton
SMILES: CCNc1nc(NCC)nc(OC)n1
Compound: 2-{[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino}-2-methylbutanenitrile
SMILES: CCNc1nc(Cl)nc(NC(C)(CC)C#N)n1
Compound: dihydrolevobunolol
SMILES: CC(C)(C)NC[C@H](O)COc1cccc2C(O)CCCc12
Compound: E64
SMILES: CC(C)C[C@H](NC(=O)[C@H]1O[C@@H]1C(O)=O)C(=O)NCCCCNC(N)=N
Compound: arsonium
SMILES: [H][As+]([H])([H])[H]
Compound: trihydridophosphorus(.1+)
SMILES: [H][P+]([H])[H]
Compound: trihydridophosphate(.1-)
SMILES: [H][P-]([H])[H]
Compound: phosphonium
SMILES: [H][P+]([H])([H])[H]
Compound: phosphanuide
SMILES: [H][P-]([H])([H])[H]
Compound: phosphorane
SMILES: [H]P([H])([H])([H])[H]
Compound: tetraphenylstibonium
SMILES: c1ccc(cc1)[Sb+](c1ccccc1)(c1ccccc1)c1ccccc1
Compound: (3,4-dihydroxyphenyl)(triphenyl)arsonium
SMILES: Oc1ccc(cc1O)[As+](c1ccccc1)(c1ccccc1)c1ccccc1
Compound: stibane
SMILES: [H][Sb]([H])[H]
Compound: trihydridoantimonate(.1-)
SMILES: [H][Sb-]([H])[H]
Compound: trihydridoantimony(.1+)
SMILES: [H][Sb+]([H])[H]
Compound: stibonium
SMILES: [H][Sb+]([H])([H])[H]
Compound: antimonic acid
SMILES: [H]O[Sb](=O)(O[H])O[H]
Compound: antimonate(3-)
SMILES: [O-][Sb]([O-])([O-])=O
Compound: antimonite
SMILES: [O-][Sb]([O-])[O-]
Compound: stibonic acid
SMILES: [H]O[Sb]([H])(=O)O[H]
Compound: stibonous acid
SMILES: [H]O[Sb]([H])O[H]
Compound: stibinic acid
SMILES: [H]O[Sb]([H])([H])=O
Compound: stibinous acid
SMILES: [H]O[Sb]([H])[H]
Compound: diantimony
SMILES: [Sb]#[Sb]
Compound: N-methylanthraniloyl-CoA
SMILES: CNc1ccccc1C(=O)SCCNC(=O)CCNC(=O)[C@H](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: 1,3-dihydroxy-N-methylacridone
SMILES: Cn1c2ccccc2c(=O)c2c(O)cc(O)cc12
Compound: N(alpha)-gamma-L-glutamylhistamine
SMILES: N[C@@H](CCC(=O)NCCC1=CNC=N1)C(O)=O
Compound: meso-2,6-diaminopimelate(2-)
SMILES: N[C@@H](CCC[C@@H](N)C([O-])=O)C([O-])=O
Compound: tetraammineaquacopper(2+)
SMILES: [H][O]([H])[Cu++]([N]([H])([H])[H])([N]([H])([H])[H])([N]([H])([H])[H])[N]([H])([H])[H]
Compound: lipoate
SMILES: [O-]C(=O)CCCCC1CCSS1
Compound: (R)-lipoic acid
SMILES: OC(=O)CCCC[C@@H]1CCSS1
Compound: dihydrolipoate
SMILES: [O-]C(=O)CCCCC(S)CCS
Compound: (S)-dihydrolipoic acid
SMILES: OC(=O)CCCC[C@H](S)CCS
Compound: benzonatate
SMILES: CCCCNc1ccc(cc1)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC
Compound: 2-hydroxyacetamide
SMILES: NC(=O)CO
Compound: 3-acetamidopropanal
SMILES: [H]C(=O)CCNC(C)=O
Compound: hexaaquacobalt(2+)
SMILES: [H][O]([H])[Co++]([O]([H])[H])([O]([H])[H])([O]([H])[H])([O]([H])[H])[O]([H])[H]
Compound: tetracyanoaurate(1-)
SMILES: N#C[Au-](C#N)(C#N)C#N
Compound: tetraamminegold(3+)
SMILES: [H][N]([H])([H])[Au+3]([N]([H])([H])[H])([N]([H])([H])[H])[N]([H])([H])[H]
Compound: tetrafluoroaurate(1-)
SMILES: F[Au-](F)(F)F
Compound: hexafluoroaurate(1-)
SMILES: F[Au-](F)(F)(F)(F)F
Compound: tetranitratoaurate(1-)
SMILES: O=N(=O)O[Au-](ON(=O)=O)(ON(=O)=O)ON(=O)=O
Compound: tetrabromoaurate(1-)
SMILES: Br[Au-](Br)(Br)Br
Compound: hexaamminecobalt(2+)
SMILES: [H][N]([H])([H])[Co++]([N]([H])([H])[H])([N]([H])([H])[H])([N]([H])([H])[H])([N]([H])([H])[H])[N]([H])([H])[H]
Compound: hexacyanocobaltate(3-)
SMILES: N#C[Co-3](C#N)(C#N)(C#N)(C#N)C#N
Compound: tetranitratocobaltate(2-)
SMILES: O=N(=O)O[Co--]12345ON(=O)=[O]1.O=N(O2)=[O]3.O=N(O4)=[O]5
Compound: cobalt trinitrate
SMILES: O=N1=[O][Co]234(O1)ON(=O)=[O]2.O=N(O3)=[O]4
Compound: phosphorus trichloride
SMILES: ClP(Cl)Cl
Compound: phosphorus pentachloride
SMILES: ClP(Cl)(Cl)(Cl)Cl
Compound: phosphoryl trichloride
SMILES: ClP(Cl)(Cl)=O
Compound: digold hexachloride
SMILES: Cl[Au]1(Cl)[Cl][Au](Cl)(Cl)[Cl]1
Compound: silver trifluoride
SMILES: F[Ag](F)F
Compound: tetrafluoroargentate(1-)
SMILES: F[Ag-](F)(F)F
Compound: silver monofluoride
SMILES: [F-].[Ag+]
Compound: silver monochloride
SMILES: [Cl-].[Ag+]
Compound: tetraaquasilver(2+)
SMILES: [H][O]([H])[Ag++]([O]([H])[H])([O]([H])[H])[O]([H])[H]
Compound: tetrakis(pyridine)silver(2+)
SMILES: C1=CC=[N](C=C1)[Ag++]([N]1=CC=CC=C1)([N]1=CC=CC=C1)[N]1=CC=CC=C1
Compound: hexaaquacopper(2+)
SMILES: [H][O]([H])[Cu++]([O]([H])[H])([O]([H])[H])([O]([H])[H])([O]([H])[H])[O]([H])[H]
Compound: tetrakis(pyridine)copper(2+)
SMILES: C1=CC=[N](C=C1)[Cu++]([N]1=CC=CC=C1)([N]1=CC=CC=C1)[N]1=CC=CC=C1
Compound: bis(ethane-1,2-diamine)copper(2+)
SMILES: [Cu++].NCCN.NCCN
Compound: 2,3,2-tetramine
SMILES: NCCNCCCNCCN
Compound: [N,N'-bis(2-aminoethyl)propane-1,3-diamine]copper(2+)
SMILES: [Cu++].NCCNCCCNCCN
Compound: 2,2'-bipyridine
SMILES: C1=CN=C(C=C1)C1=CC=CC=N1
Compound: imidazolide
SMILES: c1c[n-]cn1
Compound: pyrazol-1-ide
SMILES: [N-]1C=CC=N1
Compound: tetracyanonickelate(4-)
SMILES: N#C[Ni-4](C#N)(C#N)C#N
Compound: pentacyanonickelate(2-)
SMILES: N#C[Ni--](C#N)(C#N)(C#N)C#N
Compound: (SPY-5)-pentacyanonickelate(3-)
SMILES: N#C[Ni-3](C#N)(C#N)(C#N)C#N
Compound: tetracarbonylnickel
SMILES: [O]#C[Ni](C#[O])(C#[O])C#[O]
Compound: hexaamminenickel(2+)
SMILES: [H][N]([H])([H])[Ni++]([N]([H])([H])[H])([N]([H])([H])[H])([N]([H])([H])[H])([N]([H])([H])[H])[N]([H])([H])[H]
Compound: tetraamminediaquanickel(2+)
SMILES: [H][O]([H])[Ni++]([O]([H])[H])([N]([H])([H])[H])([N]([H])([H])[H])([N]([H])([H])[H])[N]([H])([H])[H]
Compound: hexaaquanickel(2+)
SMILES: [H][O]([H])[Ni++]([O]([H])[H])([O]([H])[H])([O]([H])[H])([O]([H])[H])[O]([H])[H]
Compound: ethylenediaminetetraacetatonickelate(2-)
SMILES: [Ni++].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O
Compound: benzoyl phosphate
SMILES: OP(O)(=O)OC(=O)c1ccccc1
Compound: tetraaqua(ethane-1,2-diamine)nickel(2+)
SMILES: [H][O]([H])[Ni++]1([O]([H])[H])([O]([H])[H])([O]([H])[H])[N]([H])([H])CC[N]1([H])[H]
Compound: tris(ethane-1,2-diamine)nickel(2+)
SMILES: [H][N]1([H])CC[N]([H])([H])[Ni++]1123[N]([H])([H])CC[N]1([H])[H].[H][N]2([H])CC[N]3([H])[H]
Compound: tetrakis(trifluorophosphane)nickel
SMILES: F[P-](F)(F)[Ni+4]([P-](F)(F)F)([P-](F)(F)F)[P-](F)(F)F
Compound: dibromobis(triethylphosphane)nickel
SMILES: CC[P-](CC)(CC)[Ni++](Br)(Br)[P-](CC)(CC)CC
Compound: tribromobis(triethylphosphane)nickel
SMILES: CC[P-](CC)(CC)[Ni++](Br)(Br)(Br)[P-](CC)(CC)CC
Compound: tetrabromonickelate(2-)
SMILES: Br[Ni--](Br)(Br)Br
Compound: tetrachloronickelate(2-)
SMILES: Cl[Ni--](Cl)(Cl)Cl
Compound: trichloronickelate(1-)
SMILES: Cl[Ni-](Cl)Cl
Compound: trifluoronickelate(1-)
SMILES: F[Ni-](F)F
Compound: hexafluoronickelate(2-)
SMILES: F[Ni--](F)(F)(F)(F)F
Compound: hexafluoronickelate(3-)
SMILES: F[Ni-3](F)(F)(F)(F)F
Compound: nickel tetrafluoride
SMILES: F[Ni](F)(F)F
Compound: tetrakis(pyridine)nickel(2+)
SMILES: C1=CC=[N](C=C1)[Ni++]([N]1=CC=CC=C1)([N]1=CC=CC=C1)[N]1=CC=CC=C1
Compound: hexakis(pyridine)nickel(2+)
SMILES: C1=CC=[N](C=C1)[Ni++]([N]1=CC=CC=C1)([N]1=CC=CC=C1)([N]1=CC=CC=C1)([N]1=CC=CC=C1)[N]1=CC=CC=C1
Compound: acetylacetonate
SMILES: [H][C-](C(C)=O)C(C)=O
Compound: Benzoyldehydro-2,3-dihydroxy-benzone
SMILES: OC(Nc1ccccc1)c1cccc(O)c1O
Compound: bis(molybdopterin)tungsten cofactor
SMILES: Nc1nc2NC3OC4COP([O-])(=O)O[Mg]OP([O-])(=O)OCC5OC6Nc7nc(N)[nH]c(=O)c7NC6C6=C5S[W]5(SC4=C(S5)C3Nc2c(=O)[nH]1)S6
Compound: molybdopterin guanine dinucleotide
SMILES: [H][C@]12Nc3nc(N)[nH]c(=O)c3N[C@@]1([H])C(S)=C(S)[C@@H](COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc3c1nc(N)[nH]c3=O)O2
Compound: 4-phospho-L-aspartate
SMILES: N[C@@H](CC(=O)OP([O-])([O-])=O)C([O-])=O
Compound: iron-sulfur-molybdenum cofactor
SMILES: [O-]C(=O)CCC1(CC([O-])=O)O[Mo]23(OC1=O)[S]1[Fe]45S[Fe]67[S]8[Fe]9[S]6[Fe]6%10S[Fe]%11([S]24)[S]3[Fe]11S[Fe]8([S]96)[C-4]57%10%111
Compound: stannane
SMILES: [H][Sn]([H])([H])[H]
Compound: tetramethyltin
SMILES: C[Sn](C)(C)C
Compound: bismuthane
SMILES: [H][Bi]([H])[H]
Compound: bismuthonium
SMILES: [H][Bi+]([H])([H])[H]
Compound: trihydridobismuth(.1+)
SMILES: [H][Bi+]([H])[H]
Compound: trihydridobismuthate(.1-)
SMILES: [H][Bi-]([H])[H]
Compound: bismuth pentafluoride
SMILES: F[Bi](F)(F)(F)F
Compound: gallane
SMILES: [H][Ga]([H])[H]
Compound: indigane
SMILES: [H][In]([H])[H]
Compound: Tropacocaine
SMILES: CN1C2CCC1C[C@H](C2)OC(=O)c1ccccc1
Compound: selenium hexafluoride
SMILES: F[Se](F)(F)(F)(F)F
Compound: selenium tetrafluoride
SMILES: F[Se](F)(F)F
Compound: thallane
SMILES: [H][Tl]([H])[H]
Compound: thallium(3+)
SMILES: [Tl+3]
Compound: benzphetamine
SMILES: C[C@@H](Cc1ccccc1)N(C)Cc1ccccc1
Compound: germane
SMILES: [H][Ge]([H])([H])[H]
Compound: dihydridotellurium(.1+)
SMILES: [H][Te+][H]
Compound: dihydridotellurate(.1-)
SMILES: [H][Te-][H]
Compound: validamine
SMILES: N[C@H]1C[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Compound: hexahydroxidostannide(2-)
SMILES: O[Sn--](O)(O)(O)(O)O
Compound: hexachloridostannide(2-)
SMILES: Cl[Sn--](Cl)(Cl)(Cl)(Cl)Cl
Compound: orthotelluric acid
SMILES: [H]O[Te](O[H])(O[H])(O[H])(O[H])O[H]
Compound: orthotellurate(6-)
SMILES: [O-][Te]([O-])([O-])([O-])([O-])[O-]
Compound: telluric acid
SMILES: [H]O[Te](=O)(=O)O[H]
Compound: tellurate
SMILES: [O-][Te]([O-])(=O)=O
Compound: tellurous acid
SMILES: [H]O[Te](=O)O[H]
Compound: telluronic acid
SMILES: [H]O[Te]([H])(=O)=O
Compound: tellurinic acid
SMILES: [H]O[Te]([H])=O
Compound: tellurium tetrafluoride
SMILES: F[Te](F)(F)F
Compound: tellurium hexafluoride
SMILES: F[Te](F)(F)(F)(F)F
Compound: benzthiazide
SMILES: NS(=O)(=O)c1cc2c(cc1Cl)N=C(CSCc1ccccc1)NS2(=O)=O
Compound: heptafluorotellurate(1-)
SMILES: F[Te-](F)(F)(F)(F)(F)F
Compound: dichloridodimethyltellurium
SMILES: C[Te](C)(Cl)Cl
Compound: triphenylstannate(1-)
SMILES: c1ccc(cc1)[Sn-](c1ccccc1)c1ccccc1
Compound: fentin hydroxide
SMILES: O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
Compound: trichlorostannate(1-)
SMILES: Cl[Sn-](Cl)Cl
Compound: tellurite
SMILES: [O-][Te]([O-])=O
Compound: trioxidotellurate(.1-)
SMILES: [O][Te]([O-])=O
Compound: trihydrogen(1+)
SMILES: [H][H+][H]
Compound: benzatropine
SMILES: [H][C@]1(C[C@]2([H])CC[C@]([H])(C1)N2C)OC(c1ccccc1)c1ccccc1
Compound: trihydridotellurium(.)
SMILES: [H][Te]([H])[H]
Compound: telluronium
SMILES: [H][Te+]([H])[H]
Compound: trihydridotellurate(1-)
SMILES: [H][Te-]([H])[H]
Compound: trihydridoselenium(.)
SMILES: [H][Se]([H])[H]
Compound: selenonium
SMILES: [H][Se+]([H])[H]
Compound: trihydridoselenate(1-)
SMILES: [H][Se-]([H])[H]
Compound: trihydridosulfur(.)
SMILES: [H][S]([H])[H]
Compound: sulfonium
SMILES: [H][S+]([H])[H]
Compound: trihydridosulfate(1-)
SMILES: [H][S-]([H])[H]
Compound: benzatropine mesylate
SMILES: CS([O-])(=O)=O.[H][C@]1(C[C@]2([H])CC[C@]([H])(C1)[NH+]2C)OC(c1ccccc1)c1ccccc1
Compound: tetrahydridooxygen(2+)
SMILES: [H][O++]([H])([H])[H]
Compound: sulfur tetrafluoride
SMILES: FS(F)(F)F
Compound: sulfur hexafluoride
SMILES: FS(F)(F)(F)(F)F
Compound: tetrafluoroberyllate(2-)
SMILES: F[Be--](F)(F)F
Compound: trifluoroberyllate(1-)
SMILES: F[Be-](F)F
Compound: tetrahydroxoberyllate(2-)
SMILES: O[Be--](O)(O)O
Compound: tetraaquaberyllium(2+)
SMILES: [H][O]([H])[Be++]([O]([H])[H])([O]([H])[H])[O]([H])[H]
Compound: hydridoberyllium(1+)
SMILES: [Be+][H]
Compound: hydridoberyllate(1-)
SMILES: [Be-][H]
Compound: trifluoridonitridosulfur
SMILES: FS(F)(F)#N
Compound: hexacarbonylmolybdenum
SMILES: [O]#C[Mo](C#[O])(C#[O])(C#[O])(C#[O])C#[O]
Compound: molybdenum(5+)
SMILES: [Mo+5]
Compound: octafluorotungstate(3-)
SMILES: F[W-3](F)(F)(F)(F)(F)(F)F
Compound: octafluorotungstate(2-)
SMILES: F[W--](F)(F)(F)(F)(F)(F)F
Compound: hexamethyltungsten
SMILES: C[W](C)(C)(C)(C)C
Compound: octacyanotungstate(3-)
SMILES: N#C[W-3](C#N)(C#N)(C#N)(C#N)(C#N)(C#N)C#N
Compound: octacyanotungstate(4-)
SMILES: N#C[W-4](C#N)(C#N)(C#N)(C#N)(C#N)(C#N)C#N
Compound: lithium nitride
SMILES: [Li]N([Li])[Li]
Compound: 1-aminocyclopropanecarboxylate
SMILES: NC1(CC1)C([O-])=O
Compound: nitritocobalamin
SMILES: C12=C(C)C3=[N+]4C(=CC5=[N+]6C(=C(C7=[N+]8[C@@]([C@@]9(N1[Co-3]684([N+]=%10C%11=CC(=C(C=C%11N(C%10)[C@@H]%12[C@@H]([C@@H]([C@H](O%12)CO)OP([O-])(O[C@](CNC(CC[C@@]2([C@H]9CC(N)=O)C)=O)([H])C)=O)O)C)C)ON=O)[H])([C@@]([C@@H]7CCC(N)=O)(C)CC(N)=O)C)C)[C@@]([C@@H]5CCC(N)=O)(C)CC(N)=O)C([C@@H]3CCC(N)=O)(C)C
Compound: arsenic pentafluoride
SMILES: F[As](F)(F)(F)F
Compound: pimelic acid
SMILES: OC(=O)CCCCCC(O)=O
Compound: hexafluoroargentate(3-)
SMILES: F[Ag-3](F)(F)(F)(F)F
Compound: tribromoargentate(2-)
SMILES: Br[Ag--](Br)Br
Compound: tetrakis(thiocyanato)argentate(3-)
SMILES: N#CS[Ag-3](SC#N)(SC#N)SC#N
Compound: stannylium
SMILES: [H][Sn+]([H])[H]
Compound: stannanide
SMILES: [H][Sn-]([H])[H]
Compound: triphenylstannane
SMILES: [H][Sn](c1ccccc1)(c1ccccc1)c1ccccc1
Compound: dimethylstannane
SMILES: [H][Sn]([H])(C)C
Compound: germylium
SMILES: [H][Ge+]([H])[H]
Compound: germanide
SMILES: [H][Ge-]([H])[H]
Compound: germyl
SMILES: [H][Ge]([H])[H]
Compound: plumbyl
SMILES: [H][Pb]([H])[H]
Compound: stannyl
SMILES: [H][Sn]([H])[H]
Compound: Benzyl viologen
SMILES: C1(C2=CC=[N+](CC=3C=CC=CC3)C=C2)=CC=[N+](CC=4C=CC=CC4)C=C1
Compound: silyl
SMILES: [H][Si]([H])[H]
Compound: silanide
SMILES: [H][Si-]([H])[H]
Compound: silylium
SMILES: [H][Si+]([H])[H]
Compound: plumbanide
SMILES: [H][Pb-]([H])[H]
Compound: plumbylium
SMILES: [H][Pb+]([H])[H]
Compound: gamma-aminobutyrate
SMILES: NCCCC([O-])=O
Compound: Benzylformate
SMILES: O=COCc1ccccc1
Compound: hydridosilicate(1-)
SMILES: [Si-][H]
Compound: hydridosilicon(1+)
SMILES: [Si+][H]
Compound: thyroxine zwitterion
SMILES: [NH3+]C(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C([O-])=O
Compound: Dibenzylsuccinate
SMILES: O=C(CCC(=O)OCc1ccccc1)OCc1ccccc1
Compound: oxidosilicon(1+)
SMILES: [O]#[Si+]
Compound: disilicon(1+)
SMILES: [Si]#[Si+]
Compound: disilicide(1-)
SMILES: [Si-]#[Si-]
Compound: disilanyl
SMILES: [H][Si]([H])[Si]([H])([H])[H]
Compound: disilanylium
SMILES: [H][Si+]([H])[Si]([H])([H])[H]
Compound: disilanide
SMILES: [H][Si-]([H])[Si]([H])([H])[H]
Compound: disilane
SMILES: [H][Si]([H])([H])[Si]([H])([H])[H]
Compound: tetrasilicide(4-)
SMILES: [Si--]=[Si]=[Si]=[Si--]
Compound: Benzylsuccinyl-CoA
SMILES: CC(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)C(O)C(=O)NCCC(=O)NCCSC(=O)[C@@H](CC(O)=O)Cc1ccccc1
Compound: trisulfanide
SMILES: [H]SS[S-]
Compound: bepridil
SMILES: CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1
Compound: tetrasulfanide
SMILES: [H]SSS[S-]
Compound: pentasulfanide
SMILES: [H]SSSS[S-]
Compound: D-glucarate(2-)
SMILES: O[C@@H]([C@H](O)[C@@H](O)C([O-])=O)[C@H](O)C([O-])=O
Compound: benzo[a]pyrene diol epoxide I
SMILES: OC1C(O)c2cc3ccc4cccc5ccc(c2C2OC12)c3c45
Compound: ATP(4-)
SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]1O
Compound: MgATP(2-)
SMILES: [Mg++].Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]1O
Compound: 2,4-divinyl protochlorophyllide a
SMILES: COC(=O)[C@H]1C(=O)c2c(C)c3C=C4C(C=C)=C(C)C5=[N+]4[Mg--]46n3c2C1=C1C(CCC(O)=O)=C(C)C(C=c2c(C)c(C=C)c(=C5)n42)=[N+]61
Compound: (S)-2,3-dihydrodipicolinate(2-)
SMILES: [O-]C(=O)[C@@H]1CC=CC(=N1)C([O-])=O
Compound: diarsenic trioxide
SMILES: O1[As]2O[As]3O[As]1O[As](O2)O3
Compound: dipyridophenazine
SMILES: c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1
Compound: oxalate(2-)
SMILES: [O-]C(=O)C([O-])=O
Compound: D-mannuronate
SMILES: [H]C(=O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C([O-])=O
Compound: molybdenum trifluoride
SMILES: F[Mo](F)F
Compound: molybdenum trichloride
SMILES: Cl[Mo](Cl)Cl
Compound: molybdenum trioxide
SMILES: O=[Mo](=O)=O
Compound: 1,2-phenylenebis(dimethylarsane)
SMILES: C[As](C)c1ccccc1[As](C)C
Compound: Berbamine
SMILES: COc1cc2CCN(C)[C@H]3Cc4ccc(Oc5cc(C[C@H]6N(C)CCc7cc(OC)c(OC)c(Oc1cc23)c67)ccc5O)cc4
Compound: tris(2-aminoethyl)amine
SMILES: NCCN(CCN)CCN
Compound: loganic acid
SMILES: [H][C@]12C[C@H](O)[C@H](C)[C@@]1([H])[C@@H](OC=C2C(O)=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Compound: L-pipecolate
SMILES: [H][C@]1(CCCCN1)C([O-])=O
Compound: molybdenum tetrachloride
SMILES: Cl[Mo](Cl)(Cl)Cl
Compound: molybdenum pentachloride
SMILES: Cl[Mo](Cl)(Cl)(Cl)Cl
Compound: hexachloromolybdate(3-)
SMILES: Cl[Mo-3](Cl)(Cl)(Cl)(Cl)Cl
Compound: hexacyanomolybdate(3-)
SMILES: N#C[Mo-3](C#N)(C#N)(C#N)(C#N)C#N
Compound: hexacyanochromate(3-)
SMILES: N#C[Cr-3](C#N)(C#N)(C#N)(C#N)C#N
Compound: hexacyanomolybdate(4-)
SMILES: N#C[Mo-4](C#N)(C#N)(C#N)(C#N)C#N
Compound: heptacyanomolybdate(4-)
SMILES: N#C[Mo-4](C#N)(C#N)(C#N)(C#N)(C#N)C#N
Compound: heptacyanomolybdate(5-)
SMILES: N#C[Mo-5](C#N)(C#N)(C#N)(C#N)(C#N)C#N
Compound: octacyanomolybdate(4-)
SMILES: N#C[Mo-4](C#N)(C#N)(C#N)(C#N)(C#N)(C#N)C#N
Compound: octacyanomolybdate(3-)
SMILES: N#C[Mo-3](C#N)(C#N)(C#N)(C#N)(C#N)(C#N)C#N
Compound: hexaaquamolybdenum(3+)
SMILES: [H][O]([H])[Mo+3]([O]([H])[H])([O]([H])[H])([O]([H])[H])([O]([H])[H])[O]([H])[H]
Compound: hexaaquairon(2+)
SMILES: [H][O]([H])[Fe++]([O]([H])[H])([O]([H])[H])([O]([H])[H])([O]([H])[H])[O]([H])[H]
Compound: hexaaquairon(3+)
SMILES: [H][O]([H])[Fe+3]([O]([H])[H])([O]([H])[H])([O]([H])[H])([O]([H])[H])[O]([H])[H]
Compound: hexahydroxidoferrate(3-)
SMILES: O[Fe-3](O)(O)(O)(O)O
Compound: Berberastine
SMILES: COc1ccc2cc3-c4cc5OCOc5cc4C(O)C[n+]3cc2c1OC
Compound: diaquatetrahydroxidoplatinum
SMILES: [H]O[Pt](O[H])(O[H])(O[H])([O]([H])[H])[O]([H])[H]
Compound: hexakis(pyridine)iron(2+)
SMILES: C1=CC=[N](C=C1)[Fe++]([N]1=CC=CC=C1)([N]1=CC=CC=C1)([N]1=CC=CC=C1)([N]1=CC=CC=C1)[N]1=CC=CC=C1
Compound: homoserine
SMILES: NC(CCO)C(O)=O
Compound: D-homoserine
SMILES: N[C@H](CCO)C(O)=O
Compound: L-homoserine lactone
SMILES: N[C@H]1CCOC1=O
Compound: D-homoserine lactone
SMILES: N[C@@H]1CCOC1=O
Compound: D-thyroxine
SMILES: N[C@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O
Compound: thyroxine
SMILES: NC(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O
Compound: thyronine
SMILES: NC(Cc1ccc(Oc2ccc(O)cc2)cc1)C(O)=O
Compound: L-thyronine
SMILES: N[C@@H](Cc1ccc(Oc2ccc(O)cc2)cc1)C(O)=O
Compound: cyclopentadiene
SMILES: C1C=CC=C1
Compound: carbonylbis(eta(5)-cyclopentadienyl)molybdenum
SMILES: [O]#C[Mo]123456789C%10C1C2C3C4%10.C51C6C7C8C91
Compound: bis[tricarbonyl(eta(5)-cyclopentadienyl)molybdenum](Mo--Mo)
SMILES: [O]#C[Mo]1234(C#[O])(C#[O])(C5C1C2C3C45)[Mo]1234(C#[O])(C#[O])(C#[O])C5C1C2C3C45
Compound: tetraperoxidomolybdate(2-)
SMILES: O1O[Mo--]112345OO1.O2O3.O4O5
Compound: bromidotricarbonyl[benzene-1,2-diylbis(dimethylarsane)]molybdenum(1+)
SMILES: C[As+]1(C)c2ccccc2[As+](C)(C)[Mo-]1(Br)(C#[O])(C#[O])C#[O]
Compound: 1,2-bis(diphenylphosphino)ethane
SMILES: C(CP(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
Compound: tricarbonyl(diethylenetriamine)molybdenum
SMILES: [H][N]1([H])CC[N]2([H])CC[N]([H])([H])[Mo]12(C#[O])(C#[O])C#[O]
Compound: dimethyl(phenyl)phosphine
SMILES: CP(C)c1ccccc1
Compound: ferrocene
SMILES: C12C3C4C5C1[Fe]23451234C5C1C2C3C45
Compound: ferrocenecarboxylic acid
SMILES: OC(=O)C12C3C4C5C1[Fe]23451234C5C1C2C3C45
Compound: (dimethylcarbamoyl)ferrocene
SMILES: CN(C)C(=O)C12C3C4C5C1[Fe]23451234C5C1C2C3C45
Compound: vanadocene
SMILES: C12C3C4C5C1[V]23451234C5C1C2C3C45
Compound: chromocene
SMILES: C12C3C4C5C1[Cr]23451234C5C1C2C3C45
Compound: cobaltocene
SMILES: C12C3C4C5C1[Co]23451234C5C1C2C3C45
Compound: nickelocene
SMILES: C12C3C4C5C1[Ni]23451234C5C1C2C3C45
Compound: ruthenocene
SMILES: C12C3C4C5C1[Ru]23451234C5C1C2C3C45
Compound: osmocene
SMILES: C12C3C4C5C1[Os]23451234C5C1C2C3C45
Compound: ruthenium(4+)
SMILES: [Ru+4]
Compound: trans-tetrakis[dimethyl(phenyl)phosphane]bis(dinitrogen)molybdenum
SMILES: C[P-](C)(c1ccccc1)[Mo+4]([N]#N)([N]#N)([P-](C)(C)c1ccccc1)([P-](C)(C)c1ccccc1)[P-](C)(C)c1ccccc1
Compound: trichloridonitridomolybdenum
SMILES: Cl[Mo](Cl)(Cl)#N
Compound: trichloridooxidomolybdenum
SMILES: Cl[Mo](Cl)(Cl)=O
Compound: tetrachloro(oxo)molybdenum
SMILES: Cl[Mo](Cl)(Cl)(Cl)=O
Compound: tetrachloro(dioxo)molybdate(2-)
SMILES: Cl[Mo--](Cl)(Cl)(Cl)(=O)=O
Compound: Bestatin
SMILES: CC(C)C[C@@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(O)=O
Compound: aquapentachloromolybdate(2-)
SMILES: [H][O]([H])[Mo--](Cl)(Cl)(Cl)(Cl)Cl
Compound: tetrathiomolybdate(2-)
SMILES: [S-][Mo]([S-])(=S)=S
Compound: octafluoromolybdate(2-)
SMILES: F[Mo--](F)(F)(F)(F)(F)(F)F
Compound: octafluoromolybdate(4-)
SMILES: F[Mo-4](F)(F)(F)(F)(F)(F)F
Compound: hexafluoromolybdate(1-)
SMILES: F[Mo-](F)(F)(F)(F)F
Compound: molybdenum hexafluoride
SMILES: F[Mo](F)(F)(F)(F)F
Compound: hexafluoromolybdate(2-)
SMILES: F[Mo--](F)(F)(F)(F)F
Compound: hexafluoromolybdate(3-)
SMILES: F[Mo-3](F)(F)(F)(F)F
Compound: molybdenum pentafluoride
SMILES: F[Mo](F)(F)(F)F
Compound: molybdenum tetrafluoride
SMILES: F[Mo](F)(F)F
Compound: trichloridoselenidomolybdenum
SMILES: Cl[Mo](Cl)(Cl)=[Se]
Compound: tetrafluoro(selenoxo)molybdenum
SMILES: F[Mo](F)(F)(F)=[Se]
Compound: tetrafluoro(thioxo)molybdenum
SMILES: F[Mo](F)(F)(F)=S
Compound: tetrafluoro(oxo)molybdenum
SMILES: F[Mo](F)(F)(F)=O
Compound: tetrafluoro(oxo)peroxomolybdate(2-)
SMILES: F[Mo--]1(F)(F)(F)(=O)OO1
Compound: trans-bis(dinitrogen)bis(dppe)molybdenum
SMILES: N#[N][Mo+4]123([N]#N)[P-](CC[P-]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.C(C[P-]2(c1ccccc1)c1ccccc1)[P-]3(c1ccccc1)c1ccccc1
Compound: citraconate(2-)
SMILES: C\C(=C\C([O-])=O)C([O-])=O
Compound: tetraperoxidochromate(2-)
SMILES: O1O[Cr--]112345OO1.O2O3.O4O5
Compound: tetraperoxidochromate(3-)
SMILES: O1O[Cr-3]112345OO1.O2O3.O4O5
Compound: dioxidodiperoxidochromate(2-)
SMILES: [O-][Cr]123([O-])OO1.O2O3
Compound: aflatoxin B1 exo-8,9-epoxide
SMILES: [H][C@@]12Oc3cc(OC)c4c5CCC(=O)c5c(=O)oc4c3[C@]1([H])[C@@]1([H])O[C@@]1([H])O2
Compound: oxidodiperoxidochromium
SMILES: O=[Cr]123OO1.O2O3
Compound: diperoxidochromium
SMILES: O1O[Cr]11OO1
Compound: triamminediperoxidochromium
SMILES: [H][N]([H])([H])[Cr]12(OO1)(OO2)([N]([H])([H])[H])[N]([H])([H])[H]
Compound: ethylenediaminetetraacetatoferrate(1-)
SMILES: [Fe+3].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O
Compound: ethylenediaminetetraacetatoferrate(2-)
SMILES: [Fe++].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O
Compound: cimetidine S-oxide
SMILES: CN\C(NCCS(=O)Cc1nc[nH]c1C)=N\C#N