CAS: 6066-82-6 Molecular Formula: C₄H₅NO₃ Molecular Weight (g/mol): 115.09 MDL Number: MFCD00005516 InChI Key: NQTADLQHYWFPDB-UHFFFAOYSA-N Synonym: ccris 2604, unii-mje3791m4t, n-hydroxysuccinimid, n-hydroxysuccinimde, succinimide, n-hydroxy, 1-hydroxy-2,5-pyrrolidinedione, 2,5-pyrrolidinedione, 1-hydroxy, 1-hydroxysuccinimide, hosu, n-hydroxysuccinimide PubChem CID: 80170 IUPAC Name: 1-hydroxypyrrolidine-2,5-dione SMILES: C1CC(=O)N(C1=O)O

CAS: 4819-69-6 Molecular Formula: C12H8ClNO2 Molecular Weight (g/mol): 233.651 MDL Number: MFCD01318120 InChI Key: TXNDRPKNOXQAAO-UHFFFAOYSA-N Synonym: 2-4-chlorobut-2-yn-1-yl-2,3-dihydro-1h-isoindole-1,3-dione, 1h-isoindole-1,3 2h-dione, 2-4-chloro-2-butyn-1-yl, 2-4-chloro-2-butynyl isoindoline-1,3-dione, 2-4-chlorobut-2-ynyl isoindole-1,3-dione, n-4-chlorobut-2-ynyl phthalimide, acmc-20akbi, 2-4-chlorobut-2-yn-1-yl isoindole-1,3-dione, 2-4-chlorobut-2-yn-1-yl-1h-isoindole-1,3 2h-dione, 2-4-chlorobut-2-yn-1-yl isoindoline-1,3-dione, n-4-chloro-2-butynyl phthalimide PubChem CID: 237537 IUPAC Name: 2-(4-chlorobut-2-ynyl)isoindole-1,3-dione SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CC#CCCl

CAS: 548-24-3 Molecular Formula: C₂₀H₆Br₂N₂Na₂O₉ MDL Number: MFCD00005041 Synonym: Eosin Bluish, 4', 5'-Dibromo-2', 7'-dinitrofluorescein, 4',5'-Dibromo-2',7'-dinitrofluorescein, disodium salt

CAS: 632-69-9 Molecular Formula: C20H4Cl4I4Na2O5 Molecular Weight (g/mol): 1019.644 MDL Number: MFCD00005043 InChI Key: DPBQSRZQYAYDGY-UHFFFAOYSA-N Synonym: C.I. 45440, Acid Red 94 PubChem CID: 87244310 IUPAC Name: sodium;4,5,6,7-tetrachloro-3',6'-dihydroxy-2',4',5',7'-tetraiodospiro[2-benzofuran-3,9'-xanthene]-1-one SMILES: C1=C2C(=C(C(=C1I)O)I)OC3=C(C(=C(C=C3C24C5=C(C(=C(C(=C5Cl)Cl)Cl)Cl)C(=O)O4)I)O)I.[Na].[Na]

CAS: 596-09-8 Molecular Formula: C₂₄H₁₆O₇ Molecular Weight (g/mol): 416.39 MDL Number: MFCD00005062 InChI Key: CHADEQDQBURGHL-UHFFFAOYSA-N Synonym: 3-oxo-3h-spiro isobenzofuran-1,9'-xanthene-3',6'-diyl diacetate, spiro isobenzofuran-1 3h ,9'-9h xanthen-3-one, 3',6'-bis acetyloxy, yl39r93pre, unii-yl39r93pre, 3',6'-diacetylfluorescein, fluorescein, diacetate, di-o-acetylfluorescein, diacetylfluorescein, 3,6-diacetoxyfluoran, fluorescein diacetate PubChem CID: 65047 IUPAC Name: (6'-acetyloxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) acetate SMILES: CC(=O)OC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)OC(=O)C)C5=CC=CC=C5C(=O)O3

CAS: 503-29-7 Molecular Formula: C₃H₇N Molecular Weight (g/mol): 57.09 InChI Key: HONIICLYMWZJFZ-UHFFFAOYSA-N Synonym: azetidine, azete, tetrahydro, polypropylene amine, azetidine, l, unii-37s883xdwr, azetidin, trimethylenimine, 1,3-propylenimine, trimethylene imine, azacyclobutane PubChem CID: 10422 ChEBI: CHEBI:30968 IUPAC Name: azetidine SMILES: C1CNC1

CAS: 288-32-4 Molecular Formula: C3H4N2 Molecular Weight (g/mol): 68.08 MDL Number: MFCD00005183 InChI Key: RAXXELZNTBOGNW-UHFFFAOYSA-N Synonym: pyrro b monazole, 1,3-diaza-2,4-cyclopentadiene, imutex, glyoxalin, 1,3-diazole, miazole, iminazole, imidazol, glyoxaline, imidazole PubChem CID: 795 ChEBI: CHEBI:16069 IUPAC Name: 1H-imidazole SMILES: N1C=CN=C1

CAS: 147-85-3 Molecular Formula: C5H9NO2 Molecular Weight (g/mol): 115.13 MDL Number: MFCD00064318 InChI Key: ONIBWKKTOPOVIA-UHFFFAOYNA-N Synonym: h-pro-oh, prolinum, 2s-pyrrolidine-2-carboxylic acid, --s-proline, --proline, 2-pyrrolidinecarboxylic acid, s-pyrrolidine-2-carboxylic acid, l---proline, proline, l-proline PubChem CID: 145742 ChEBI: CHEBI:17203 SMILES: OC(=O)C1CCCN1

CAS: 298-81-7 Molecular Formula: C12H8O4 Molecular Weight (g/mol): 216.19 MDL Number: MFCD00005009 InChI Key: QXKHYNVANLEOEG-UHFFFAOYSA-N Synonym: meladinin, xanthotoxine, oxypsoralen, meloxine, oxsoralen, ammoidin, meladinine, xanthotoxin, 8-methoxypsoralen, methoxsalen PubChem CID: 4114 ChEBI: CHEBI:18358 IUPAC Name: 9-methoxyfuro[3,2-g]chromen-7-one SMILES: COC1=C2OC=CC2=CC2=C1OC(=O)C=C2

CAS: 442-51-3 Molecular Formula: C13H12N2O Molecular Weight (g/mol): 212.25 MDL Number: MFCD00004958 InChI Key: BXNJHAXVSOCGBA-UHFFFAOYSA-N Synonym: banisterin, 9h-pyrido 3,4-b indole, 7-methoxy-1-methyl, 7-methoxy-1-methyl-9h-beta-carboline, yajeine, yageine, telepathine, leucoharmine, banisterine, 7-methoxy-1-methyl-9h-pyrido 3,4-b indole, harmine PubChem CID: 5280953 ChEBI: CHEBI:28121 IUPAC Name: 7-methoxy-1-methyl-9H-pyrido[3,4-b]indole SMILES: COC1=CC2=C(C=C1)C1=C(N2)C(C)=NC=C1

CAS: 109-97-7 Molecular Formula: C4H5N Molecular Weight (g/mol): 67.09 MDL Number: MFCD00005216 InChI Key: KAESVJOAVNADME-UHFFFAOYSA-N Synonym: unii-86s1zd6l2c, polypyrrole, 1-aza-2,4-cyclopentadiene, divinyleneimine, monopyrrole, pyrrol, imidole, azole, divinylenimine, pyrrole PubChem CID: 8027 ChEBI: CHEBI:19203 IUPAC Name: 1H-pyrrole SMILES: N1C=CC=C1

CAS: 2827-56-7 Molecular Formula: C₃H₅N₃O₂·ClH Molecular Weight (g/mol): 151.55 InChI Key: WEOHANUVLKERQI-UHFFFAOYSA-N Synonym: 1-aminoimidazoline-2,4-dione hydrochloride, 1-aminoimidazolidine-2,4-dione hcl, acmc-209h1m, 2,4-imidazolidinedione, 1-amino-, monohydrochloride, 1-amino hydantoin hydrochloride, 1-aminohydantoin hcl, 1-aminoimidazolidine-2,4-dione hydrochloride, 1-aminohydantoin hydrochloride PubChem CID: 12472963 IUPAC Name: 1-aminoimidazolidine-2,4-dione;hydrochloride SMILES: C1C(=O)NC(=O)N1N.Cl

CAS: 69235-50-3 Molecular Formula: C27H27Cl3N6 Molecular Weight (g/mol): 541.91 MDL Number: MFCD00069039 InChI Key: MKLTXAHQKDVBLY-UHFFFAOYSA-N Synonym: acriflavinehydrochloride mixtureof3,6-diamino-10-methylacridiniumchloridehydrochlorideand3,6-diaminoacridinehydrochloride, 3,6-diamino-10-methylacridine proflavine trihydrochloride chloride, acrifiavine hydrochloride, unii-1s73vw819c PubChem CID: 53393742 IUPAC Name: acridine-3,6-diamine;10-methylacridin-10-ium-3,6-diamine;chloride;trihydrochloride SMILES: Cl.Cl.[Cl-].NC1=CC2=NC3=CC(N)=CC=C3C=C2C=C1.C[N+]1=C2C=C(N)C=CC2=CC2=CC=C(N)C=C12

CAS: 106-89-8 Molecular Formula: C₃H₅ClO Molecular Weight (g/mol): 92.52 InChI Key: BRLQWZUYTZBJKN-UHFFFAOYSA-N Synonym: chloropropylene oxide, 2,3-epoxypropyl chloride, 1,2-epoxy-3-chloropropane, epichlorhydrine, oxirane, chloromethyl, glycidyl chloride, 1-chloro-2,3-epoxypropane, epichlorhydrin, 2-chloromethyl oxirane, epichlorohydrin PubChem CID: 7835 ChEBI: CHEBI:37144 IUPAC Name: 2-(chloromethyl)oxirane SMILES: C1C(O1)CCl

CAS: 86-74-8 Molecular Formula: C12H9N Molecular Weight (g/mol): 167.21 MDL Number: MFCD00004960 InChI Key: UJOBWOGCFQCDNV-UHFFFAOYSA-N Synonym: unii-0p2197hhhn, usaf ek-600, dibenzo b,d pyrrole, diphenyleneimine, diphenylenimide, 9-azafluorene, diphenylenimine, dibenzopyrrole, carbazole PubChem CID: 6854 ChEBI: CHEBI:27543 IUPAC Name: 9H-carbazole SMILES: N1C2=C(C=CC=C2)C2=C1C=CC=C2

CAS: 148332-36-9 Molecular Formula: C16H11N3O2 Molecular Weight (g/mol): 277.28 MDL Number: MFCD04114290 InChI Key: ZYTWXMBGOUJDHJ-UHFFFAOYSA-N Synonym: 2,2\\':6\\',2\\'\\'-terpyridine-4\\'-carboxylic acid, 1∼2∼,2∼2∼:2∼6∼,3∼2∼-terpyridine-2∼4∼-carboxylic acid, 2,2:6,2'-terpyridine-4-carboxylic acid, 4'-carboxy-2,2':6',2-terpyridine, acmc-1c3v7, 6-pyridin-2-yl-2,2'-bipyridine-4-carboxylic acid, 2,6-bis pyridin-2-yl pyridine-4-carboxylic acid, 2,2':6',2-terpyridine-4'-carboxylicacid, 2,2':6',2-terpyridine-4'-carboxylic acid PubChem CID: 2762749 IUPAC Name: 2,6-dipyridin-2-ylpyridine-4-carboxylic acid SMILES: OC(=O)C1=CC(=NC(=C1)C1=CC=CC=N1)C1=CC=CC=N1

CAS: 1477-50-5 Molecular Formula: C9H7NO2 Molecular Weight (g/mol): 161.16 MDL Number: MFCD00005611 InChI Key: HCUARRIEZVDMPT-UHFFFAOYSA-N Synonym: carboxyindole, 1h-indol-2-carbons, 2-indole carboxylic acid, 2-indolylformic acid, indole-2-carboxylate, 1h-indolecarboxylic acid, indol-2-carboxylic acid, 2-indolecarboxylic acid, 2-carboxyindole, indole-2-carboxylic acid PubChem CID: 72899 IUPAC Name: 1H-indole-2-carboxylic acid SMILES: OC(=O)C1=CC2=CC=CC=C2N1

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: 4432-31-9 Molecular Formula: C6H13NO4S Molecular Weight (g/mol): 195.233 MDL Number: MFCD00006181 InChI Key: SXGZJKUKBWWHRA-UHFFFAOYSA-N Synonym: 2-(N-Morpholino)ethanesulfonic acid PubChem CID: 78165 ChEBI: CHEBI:39005 IUPAC Name: 2-morpholin-4-ylethanesulfonic acid SMILES: C1COCCN1CCS(=O)(=O)O

CAS: 16052-06-5 Molecular Formula: C9H20N2O4S Molecular Weight (g/mol): 252.329 MDL Number: MFCD00006160 InChI Key: OWXMKDGYPWMGEB-UHFFFAOYSA-N Synonym: 3-[4-(2-Hydroxyethyl)-1-piperazine]propanesulfonic acid PubChem CID: 85255 ChEBI: CHEBI:42298 IUPAC Name: 3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid SMILES: C1CN(CCN1CCCS(=O)(=O)O)CCO

CAS: 288-32-4 Molecular Formula: C3H4N2 Molecular Weight (g/mol): 68.08 MDL Number: MFCD00005183 InChI Key: RAXXELZNTBOGNW-UHFFFAOYSA-N Synonym: pyrro b monazole, 1,3-diaza-2,4-cyclopentadiene, imutex, glyoxalin, 1,3-diazole, miazole, iminazole, imidazol, glyoxaline, imidazole PubChem CID: 795 ChEBI: CHEBI:16069 IUPAC Name: 1H-imidazole SMILES: N1C=CN=C1

CAS: 56-92-8 Molecular Formula: C5H11Cl2N3 Molecular Weight (g/mol): 184.06 MDL Number: MFCD00012703 InChI Key: PPZMYIBUHIPZOS-UHFFFAOYSA-N Synonym: histaminedium dichloride, 2-4-imidazolyl ethylamine dihydrochloride, 2-1h-imidazol-4-yl ethylamine dihydrochloride, ceplene, peremin, 1h-imidazole-4-ethanamine, dihydrochloride, 1h-imidazole-4-ethanamine dihydrochloride, 2-1h-imidazol-4-yl ethanamine dihydrochloride, histamine 2hcl, histamine dihydrochloride PubChem CID: 5818 IUPAC Name: 2-(1H-imidazol-5-yl)ethanamine;dihydrochloride SMILES: [H+].[H+].[Cl-].[Cl-].NCCC1=CN=CN1

CAS: 54-96-6 Molecular Formula: C₅H₇N₃ Molecular Weight (g/mol): 109.13 MDL Number: MFCD00006401 InChI Key: OYTKINVCDFNREN-UHFFFAOYSA-N Synonym: pyridine, 3,4-diamino, zenas, amifampridin, 3,4-dap, 4,5-diaminopyridine, diamino-3,4 pyridine, firdapse, 3,4-pyridinediamine, amifampridine, 3,4-diaminopyridine PubChem CID: 5918 IUPAC Name: pyridine-3,4-diamine SMILES: C1=CN=CC(=C1N)N

CAS: 498-60-2 Molecular Formula: C₅H₄O₂ Molecular Weight (g/mol): 96.08 InChI Key: AZVSIHIBYRHSLB-UHFFFAOYSA-N Synonym: pubchem6948, 3-furancarbaldehyde, 3furaldehyde, unii-pob632x444, 3-furfural, 3-formylfuran, furan-3-carboxaldehyde, 3-furancarboxaldehyde, 3-furaldehyde PubChem CID: 10351 ChEBI: CHEBI:87609 IUPAC Name: furan-3-carbaldehyde SMILES: C1=COC=C1C=O

CAS: 54443-89-9 Molecular Formula: C12H20N2O2S Molecular Weight (g/mol): 256.364 MDL Number: MFCD00674068 InChI Key: JNFBSDIDVPDZHB-UHFFFAOYSA-N Synonym: 1,3-dibutyl-2-thioxo-1,3,5-trihydropyrimidine-4,6-dione, 1,3-dibutyl-2-thioxohexahydropyrimidine-4,6-dione, acmc-1asrh, 1,3-dibutyl-2-thioxodihydropyrimidine-4,6 1h,5h-dione, 4,6 1h,5h-pyrimidinedione, 1,3-dibutyldihydro-2-thioxo, 1,3-di-n-butyl-2-thiobarbituric acid, 1,3-dibutyl-2-thiobarbituric acid PubChem CID: 108592 IUPAC Name: 1,3-dibutyl-2-sulfanylidene-1,3-diazinane-4,6-dione SMILES: CCCCN1C(=O)CC(=O)N(C1=S)CCCC

CAS: 7250-67-1 Molecular Formula: C₆H₁₂ClN·HCl Molecular Weight (g/mol): 170.08 MDL Number: MFCD00012718 InChI Key: FSNGFFWICFYWQC-UHFFFAOYSA-N Synonym: 2-chloroethylpyrrolidinehydrochloride, 1-2-chloroethyl pyrrolidine hcl, 1-2-chloroethyl pyrrolidine.hcl, pyrrolidinoethyl chloride, hydrochloride, unii-yyq1h343r5, pyrrolidine, 1-2-chloroethyl-, hydrochloride, 2-pyrrolidinoethyl chloride hydrochloride, 2-chloroethylpyrrolidine hydrochloride, n-2-chloroethyl pyrrolidine hydrochloride, 1-2-chloroethyl pyrrolidine hydrochloride PubChem CID: 81668 IUPAC Name: 1-(2-chloroethyl)pyrrolidine;hydrochloride SMILES: C1CCN(C1)CCCl.Cl

CAS: 443-48-1 Molecular Formula: C₆H₉N₃O₃ Molecular Weight (g/mol): 171.16 MDL Number: MFCD00009750 InChI Key: VAOCPAMSLUNLGC-UHFFFAOYSA-N Synonym: novonidazol, metronidaz, meronidal, gineflavir, trichazol, anagiardil, 2-methyl-5-nitroimidazole-1-ethanol, flagyl, metronidazol, metronidazole PubChem CID: 4173 ChEBI: CHEBI:6909 IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethanol SMILES: CC1=NC=C(N1CCO)[N+](=O)[O-]

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: 20857-47-0 Molecular Formula: C7H3F6N Molecular Weight (g/mol): 215.098 MDL Number: MFCD00128904 InChI Key: RQEOYYWUVYZZLL-UHFFFAOYSA-N PubChem CID: 2778311 IUPAC Name: 3,5-bis(trifluoromethyl)pyridine SMILES: C1=C(C=NC=C1C(F)(F)F)C(F)(F)F