CAS: 123-91-1 Molecular Formula: C4H8O2 Molecular Weight (g/mol): 88.106 MDL Number: MFCD00006571 InChI Key: RYHBNJHYFVUHQT-UHFFFAOYSA-N Synonym: tetrahydro-p-dioxin, di ethylene oxide, dioxanne, diethylene dioxide, 1,4-dioxacyclohexane, dioxan, diethylene ether, 1,4-diethylene dioxide, p-dioxane, dioxane PubChem CID: 31275 ChEBI: CHEBI:47032 IUPAC Name: 1,4-dioxane SMILES: C1COCCO1

CAS: 90-46-0 Molecular Formula: C₁₃H₁₀O₂ Molecular Weight (g/mol): 198.22 MDL Number: MFCD00005057 InChI Key: JFRMYMMIJXLMBB-UHFFFAOYSA-N Synonym: xanthrol, unii-7131m69ikf, ccris 1640, 9-xanthenol, xanthene, hydroxy, xanthen-9-ol, 9-xanthydrol, xanthanol, xanthydrol, 9-hydroxyxanthene PubChem CID: 72861 IUPAC Name: 9H-xanthen-9-ol SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)O

CAS: 499-83-2 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00006299 InChI Key: WJJMNDUMQPNECX-UHFFFAOYSA-N Synonym: 2,6-pyridinedicarboxylic acid dipicolinic acid, ue81s5cq0g, 2,6-pyridinedicarboxylicacid, unii-ue81s5cq0g, 2,6-pyridinedicarboxylate, 2,6-dicarboxypyridine, dipicolinate, 2,6-dipicolinic acid, dipicolinic acid, 2,6-pyridinedicarboxylic acid PubChem CID: 10367 ChEBI: CHEBI:46837 IUPAC Name: pyridine-2,6-dicarboxylic acid SMILES: C1=CC(=NC(=C1)C(=O)O)C(=O)O

CAS: 693-98-1 Molecular Formula: C4H6N2 Molecular Weight (g/mol): 82.11 MDL Number: MFCD00005190 InChI Key: LXBGSDVWAMZHDD-UHFFFAOYSA-N Synonym: dsstox_gsid_22107, dsstox_rid_76489, dsstox_cid_2107, ccris 2459, unii-t0049z45lz, 2-methylglyoxaline, 2-methyl imidazole, imidazole, 2-methyl, 1h-imidazole, 2-methyl, 2-methylimidazole PubChem CID: 12749 IUPAC Name: 2-methyl-1H-imidazole SMILES: CC1=NC=CN1

CAS: 616-47-7 Molecular Formula: C4H6N2 Molecular Weight (g/mol): 82.11 MDL Number: MFCD00005292 InChI Key: MCTWTZJPVLRJOU-UHFFFAOYSA-N Synonym: 1-methylimdazole, n-methylimidazol, 1-methyl-1h-imidazol, unii-p4617qs63y, 1-methyl-imidazole, n-methyl imidazole, imidazole, 1-methyl, 1h-imidazole, 1-methyl, n-methylimidazole, 1-methyl-1h-imidazole PubChem CID: 1390 ChEBI: CHEBI:113454 IUPAC Name: 1-methylimidazole SMILES: CN1C=CN=C1

CAS: 620-02-0 Molecular Formula: C₆H₆O₂ Molecular Weight (g/mol): 110.11 MDL Number: MFCD00003232 InChI Key: OUDFNZMQXZILJD-UHFFFAOYSA-N Synonym: 2-formyl-5-methylfuran, 2-furaldehyde, 5-methyl, 5-methylfurfuraldehyde, 5-methyl-2-furancarboxaldehyde, 5-methylfuran-2-al, 2-furancarboxaldehyde, 5-methyl, 5-methyl-2-furfural, 5-methyl furfural, 5-methyl-2-furaldehyde, 5-methylfurfural PubChem CID: 12097 ChEBI: CHEBI:2091 IUPAC Name: 5-methylfuran-2-carbaldehyde SMILES: CC1=CC=C(O1)C=O

CAS: 110-86-1 Molecular Formula: C5H5N Molecular Weight (g/mol): 79.102 MDL Number: MFCD00011732 InChI Key: JUJWROOIHBZHMG-UHFFFAOYSA-N Synonym: caswell no. 717, rcra waste number u196, piridina italian, pirydyna polish, pyridin german, pirydyna, piridina, pyridin, azine, azabenzene PubChem CID: 1049 ChEBI: CHEBI:16227 IUPAC Name: pyridine SMILES: C1=CC=NC=C1

CAS: 136-85-6 Molecular Formula: C7H7N3 Molecular Weight (g/mol): 133.15 MDL Number: MFCD00005702 InChI Key: LRUDIIUSNGCQKF-UHFFFAOYSA-N Synonym: t56 bmnnj g1, 6-methyl-1,2,3-benzotriazole, 5-methyl-1,2,3-benzotriazole, 5-methyl-1h-benzo d 1,2,3 triazole, 6-methylbenzotriazole, 1h-benzotriazole, 5-methyl, 5-tolyltriazole, tolutriazole, 5-methylbenzotriazole, 5-methyl-1h-benzotriazole PubChem CID: 8705 ChEBI: CHEBI:83455 IUPAC Name: 5-methyl-2H-benzotriazole SMILES: CC1=CC2=NNN=C2C=C1

CAS: 52665-69-7 Molecular Formula: C29H37N3O6 Molecular Weight (g/mol): 523.63 MDL Number: MFCD00151202,MFCD00151202 InChI Key: HIYAVKIYRIFSCZ-CVXKHCKVSA-N PubChem CID: 97043288 IUPAC Name: 5-(methylamino)-2-[[(2R,3S,5S,6S,8S,9S)-3,5,9-trimethyl-2-[(2S)-1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazole-4-carboxylic acid SMILES: CNC1=CC=C2OC(C[C@@H]3OC4(CC[C@@H]3C)O[C@H](C(C)C(=O)C3=CC=CN3)[C@H](C)C[C@H]4C)=NC2=C1C(O)=O

CAS: 288-13-1 Molecular Formula: C₃H₄N₂ Molecular Weight (g/mol): 68.08 MDL Number: MFCD00005234 InChI Key: WTKZEGDFNFYCGP-UHFFFAOYSA-N Synonym: pyrazol#1, 1-h-pyrazole, hpz, diazole, 3qd5kjz7zj, unii-3qd5kjz7zj, pyrazol, 1h-pyrazol, 1,2-diazole, pyrazole PubChem CID: 1048 ChEBI: CHEBI:17241 IUPAC Name: 1H-pyrazole SMILES: C1=CNN=C1

CAS: 366-18-7 Molecular Formula: C10H8N2 Molecular Weight (g/mol): 156.19 MDL Number: MFCD00006212 InChI Key: ROFVEXUMMXZLPA-UHFFFAOYSA-N Synonym: 2,2-bipyridyl, alpha,alpha'-bipyridyl, alpha,alpha'-dipyridyl, 2,2'-bipyridin, 2-2-pyridyl pyridine, 2,2'-dipyridine, bipyridine, 2,2'-bipyridyl, 2,2'-dipyridyl, 2,2'-bipyridine PubChem CID: 1474 ChEBI: CHEBI:30351 IUPAC Name: 2-pyridin-2-ylpyridine SMILES: C1=CC=C(N=C1)C1=CC=CC=N1

CAS: 91-22-5 Molecular Formula: C9H7N Molecular Weight (g/mol): 129.16 MDL Number: MFCD00006736,MFCD06637409,MFCD31699982,MFCD31699983,MFCD31699984,MFCD31699985,MFCD31699986,MFCD31699987 InChI Key: SMWDFEZZVXVKRB-UHFFFAOYSA-N Synonym: leukol, benzopyridine, benzo b pyridine, leucol, chinoleine, 1-azanaphthalene, quinolin, 1-benzazine, chinoline, chinolin PubChem CID: 7047 ChEBI: CHEBI:17362 IUPAC Name: quinoline SMILES: C1=CC=C2N=CC=CC2=C1

CAS: 39416-48-3 Molecular Formula: C₅H₅N·HBr₃ MDL Number: MFCD00013223 Synonym: Pyridinium bromide perbromide; Pyridinium tribromide

CAS: 87-90-1 Molecular Formula: C3Cl3N3O3 Molecular Weight (g/mol): 232.40 MDL Number: MFCD00006553 InChI Key: YRIZYWQGELRKNT-UHFFFAOYSA-N Synonym: chloreal, fi clor 91, trichloroisocyanic acid, trichloro-s-triazinetrione, fichlor 91, isocyanuric chloride, symclosen, trichlorocyanuric acid, symclosene, trichloroisocyanuric acid PubChem CID: 6909 ChEBI: CHEBI:33015 SMILES: ClN1C(=O)N(Cl)C(=O)N(Cl)C1=O

CAS: 98-00-0 Molecular Formula: C₅H₆O₂ Molecular Weight (g/mol): 98.1 MDL Number: MFCD00003252 InChI Key: XPFVYQJUAUNWIW-UHFFFAOYSA-N Synonym: 5-hydroxymethylfuran, 2-furfuryl alcohol, furfural alcohol, 2-furanylmethanol, furfuranol, 2-furylcarbinol, 2-furancarbinol, 2-furylmethanol, 2-furanmethanol, furfuryl alcohol PubChem CID: 7361 ChEBI: CHEBI:207496 IUPAC Name: furan-2-ylmethanol SMILES: C1=COC(=C1)CO

CAS: 58-08-2 Molecular Formula: C8H10N4O2 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00005758 InChI Key: RYYVLZVUVIJVGH-UHFFFAOYSA-N Synonym: alert-pep, theine, mateina, koffein, methyltheobromine, cafeina, thein, guaranine, 1,3,7-trimethylxanthine, caffeine PubChem CID: 2519 ChEBI: CHEBI:27732 IUPAC Name: 1,3,7-trimethylpurine-2,6-dione SMILES: CN1C=NC2=C1C(=O)N(C)C(=O)N2C

CAS: 4295-06-1 MDL Number: MFCD00006757

CAS: 79642-50-5 Molecular Formula: C13H14N2O8 Molecular Weight (g/mol): 326.26 MDL Number: MFCD00153597 InChI Key: LNQHREYHFRFJAU-UHFFFAOYSA-N Synonym: di n-succinimidyl glutarate chn, bis 2,5-dioxopyrrolidin-1-yl glutarate, di n-hydroxysuccinimidyl glutarate, glutaric acid disuccinimidyl ester, dsg crosslinker, pentanedioic acid,1,5-bis 2,5-dioxo-1-pyrrolidinyl ester, bis 2,5-dioxopyrrolidin-1-yl pentanedioate, di n-succinimidyl glutarate, disuccinimidyl glutarate PubChem CID: 4432628 IUPAC Name: bis(2,5-dioxopyrrolidin-1-yl) pentanedioate SMILES: O=C(CCCC(=O)ON1C(=O)CCC1=O)ON1C(=O)CCC1=O

CAS: 123-91-1 Molecular Formula: C4H8O2 Molecular Weight (g/mol): 88.106 MDL Number: MFCD00006571 InChI Key: RYHBNJHYFVUHQT-UHFFFAOYSA-N Synonym: tetrahydro-p-dioxin, di ethylene oxide, dioxanne, diethylene dioxide, 1,4-dioxacyclohexane, dioxan, diethylene ether, 1,4-diethylene dioxide, p-dioxane, dioxane PubChem CID: 31275 ChEBI: CHEBI:47032 IUPAC Name: 1,4-dioxane SMILES: C1COCCO1

CAS: 298-93-1 Molecular Formula: C18H16BrN5S Molecular Weight (g/mol): 414.33 MDL Number: MFCD00011964,MFCD00066662 InChI Key: AZKSAVLVSZKNRD-UHFFFAOYSA-M Synonym: unii-euy85h477i, mtt van, 3-4,5-dimethylthiazol-2-yl-2,5-diphenyltetrazolium bromide, thiazole blue, thiazolyl blue monotetrazolium, mtt, methylthiazoletetrazolium, mmt tetrazolium, thiazolyl blue tetrazolium bromide, thiazolyl blue PubChem CID: 64965 ChEBI: CHEBI:53233 SMILES: [Br-].CC1=C(C)N=C(S1)[N+]1=NC(=NN1C1=CC=CC=C1)C1=CC=CC=C1

CAS: 84366-81-4 Molecular Formula: C27H31N9Na2O15P2 Molecular Weight (g/mol): 829.52 MDL Number: MFCD00151217 InChI Key: XLRHXNIVIZZOON-SJFBGTSINA-L Synonym: fad tn, flavin adenine dinucelotide, fad sodium, flavine adenine dinucleotide, fad-na2, flavin adenine dinucleotide disodium salt, riboflavin 5'-adenosine diphosphate disodium salt, flavin adenine dinucleotide disodium salt hydrate, unii-67u7uhj04c, flavin adenine dinucleotide disodium PubChem CID: 131675332 IUPAC Name: disodium;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4S)-5-(7,8-dimethyl-4-oxido-2-oxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] phosphate;hydrate SMILES: [Na+].[Na+].CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)COP([O-])(=O)OP([O-])(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)N3C=NC4=C(N)N=CN=C34)C3=NC(=O)NC(=O)C3=NC2=C1

CAS: 59-67-6 Molecular Formula: C6H5NO2 Molecular Weight (g/mol): 123.11 MDL Number: MFCD00006391 InChI Key: PVNIIMVLHYAWGP-UHFFFAOYSA-N Synonym: daskil, akotin, pellagrin, apelagrin, acidum nicotinicum, wampocap, 3-carboxypyridine, 3-pyridinecarboxylic acid, niacin, nicotinic acid PubChem CID: 938 ChEBI: CHEBI:15940 IUPAC Name: pyridine-3-carboxylic acid SMILES: OC(=O)C1=CC=CN=C1

CAS: 31106-82-8 Molecular Formula: C₆H₆BrN·HBr Molecular Weight (g/mol): 252.94 MDL Number: MFCD01863544 InChI Key: JQDNCGRNPYKRAO-UHFFFAOYSA-N Synonym: bromomethyl pyridine hydrobromide, 2-bromomethylpyridine hydrobromide, ksc495g6r, acmc-20aim5, c6h6brn.hbr, 2-bromomethyl pyridine, bromide, pyridine, 2-bromomethyl-, hydrobromide, 2-bromomethyl pyridine hbr, 2-picolyl bromide hydrobromide, 2-bromomethyl pyridine hydrobromide PubChem CID: 2734720 IUPAC Name: 2-(bromomethyl)pyridine;hydrobromide SMILES: C1=CC=NC(=C1)CBr.Br

CAS: 73-22-3 Molecular Formula: C11H12N2O2 Molecular Weight (g/mol): 204.23 MDL Number: MFCD00064340 InChI Key: QIVBCDIJIAJPQS-VIFPVBQESA-N Synonym: ardeytropin, tryptacin, trofan, optimax, h-trp-oh, tryptophane, s-tryptophan, l-tryptophane, tryptophan, l-tryptophan PubChem CID: 6305 ChEBI: CHEBI:16828 IUPAC Name: (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid SMILES: N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O

CAS: 2646-71-1 Molecular Formula: C21H26N7Na4O17P3 Molecular Weight (g/mol): 833.35 MDL Number: MFCD10567216 InChI Key: WYWWVJHQDVCHKF-NRTBITFTNA-J Synonym: coenzyme ii tetrasodium salt reduced form, nadph, tetrasodium salt, nadph tetrasodium salt PubChem CID: 131673986 IUPAC Name: [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;molecular hydrogen;sodium SMILES: [Na+].[Na+].[Na+].[Na+].NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](OP([O-])([O-])=O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O

CAS: 5518-52-5 Molecular Formula: C12H9O3P Molecular Weight (g/mol): 232.18 MDL Number: MFCD00151857 InChI Key: DLQYXUGCCKQSRJ-UHFFFAOYSA-N Synonym: tris 2-furanyl phosphine, tri fur-2-yl phosphane, trifurylphosphine, tri furan-2-yl phosphane, tris 2-furyl phosphine, tri-2-furylphosphine, tris furan-2-yl phosphane, tri-2-furyl phosphine, tri furan-2-yl phosphine, tri 2-furyl phosphine PubChem CID: 521585 IUPAC Name: tris(furan-2-yl)phosphane SMILES: O1C=CC=C1P(C1=CC=CO1)C1=CC=CO1

CAS: 66-81-9 Molecular Formula: C15H23NO4 Molecular Weight (g/mol): 281.35 MDL Number: MFCD00082346 InChI Key: YPHMISFOHDHNIV-QTEFRXOUNA-N Synonym: neocycloheximide, naramycin, hizarocin, actidone, actidion, kaken, naramycin a, cycloheximide, actidione, cycloheximide PubChem CID: 6197 ChEBI: CHEBI:27641 IUPAC Name: 4-[(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]piperidine-2,6-dione SMILES: [H][C@]1(C[C@@H](C)C[C@H](C)C1=O)[C@H](O)CC1CC(=O)NC(=O)C1

CAS: 18172-67-3 Molecular Formula: C10H16 Molecular Weight (g/mol): 136.238 MDL Number: MFCD00001345 InChI Key: WTARULDDTDQWMU-IUCAKERBSA-N Synonym: afn153a7su, 1s-1-beta-pinene, --?-pinene, unii-afn153a7su, --pin-2 10-ene, --b-pinene, 1s---beta-pinene, 1s,5s-6,6-dimethyl-2-methylenebicyclo 3.1.1 heptane, --nopinene, --beta-pinene PubChem CID: 440967 ChEBI: CHEBI:28359 IUPAC Name: (1S,5S)-6,6-dimethyl-4-methylidenebicyclo[3.1.1]heptane SMILES: CC1(C2CCC(=C)C1C2)C