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• 16,17a-Epoxy progesterone
Synonyms: 16alpha,17-Epoxyprogesterone, E5125_SIGMA, 16alpha,17alpha-Epoxyprogesterone, EINECS 214-147-5, NSC 18315, BB_NC-0287, NSC18315, ZINC03982458, 16-alpha,17-Epoxypregn-4-ene-3,20-dione, 16alpha,17-Epoxypregn-4-ene-3,20-dione, LS-118667, Pregn-4-ene-3,20-dione, 16-alpha,17-epoxy-, 16alpha,17alpha-Epoxy-4-pregnen-3,20-dione, C14681, Pregn-4-ene-3,20-dione, 16,17-epoxy-, (16alpha)-, Pregn-4-ene-3,20-dione, 16,17-epoxy-, (16-alpha)-, Pregn-4-ene-3,20-dione, 16,17-epoxy-, (16.alpha.)-

Molecular Formula: C21H28O3Molecular Weight: 328.445220 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: LHNVKVKZPHUYQO-SRWWVFQWSA-N

• (R)-(+)-1-Amino-2-(methoxymethyl)pyrrolidine
IUPAC Name: [(2R)-2-(methoxymethyl)pyrrolidin-1-ium-1-yl]azanium | CAS Registry Number: 72748-99-3
Synonyms: ZINC00404687, CID6951349

Molecular Formula: C6H16N2O+2Molecular Weight: 132.204040 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: CJGJJXCQCKRPHC-ZCFIWIBFSA-N

• 1,3-Dimethoxybenzene
IUPAC Name: 1,3-dimethoxybenzene | CAS Registry Number: 151-10-0
Synonyms: Benzene, m-dimethoxy-, 3-Methoxyanisole, Dimethyl resorcinol, Benzene, 1,3-dimethoxy-, Dimethylresorcinol, Methoxyanisole, m-, M-DIMETHOXYBENZENE, Resorcinol dimethyl ether, Ambap288, 3,5-Dimethoxybenzonitrile, FEMA No. 2385, W238503_ALDRICH, Dimethylether resorcinolu [Czech], 126306_ALDRICH, NSC 8699, 83610_FLUKA, EINECS 205-783-4, NSC8699, ZINC00388167, AI3-00845

Molecular Formula: C8H10O2Molecular Weight: 138.163800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: DPZNOMCNRMUKPS-UHFFFAOYSA-N

• 2',4',6'-Trihydroxyacetophenone
IUPAC Name: 1-(2,4,6-trihydroxyphenyl)ethanone | CAS Registry Number: 480-66-0
Synonyms: Acetophloroglucine, Acetylphloroglucinol, PHLOROACETOPHENONE, THAP, 2-Acetylphloroglucinol, Spectrum2_001989, 1-(2,4,6-Trihydroxyphenyl)ethanone, Ethanone, 1-(2,4,6-trihydroxyphenyl)-, SPECTRUM300604, T64602_ALDRICH, Acetophenone, 2',4',6'-trihydroxy-, SPBio_002177, 41711_FLUKA, 91928_FLUKA, ACon1_001026, EINECS 207-556-5, NSC 54927, NSC54927, ZINC00157773, SDCCGMLS-0066935.P001

Molecular Formula: C8H8O4Molecular Weight: 168.146720 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: XLEYFDVVXLMULC-UHFFFAOYSA-N

• 2-Acetyl-5-Methylfuran
IUPAC Name: 1-(5-methylfuran-2-yl)ethanone | CAS Registry Number: 1193-79-9
Synonyms: 2-ACETYL-5-METHYLFURAN, 2-Acetyl-5-methyl-furan, 1-(5-Methyl-2-furyl)ethanone, Ethanone, 1-(5-methyl-2-furanyl)-, 5-Methyl-2-furylmethylketone, Furan, 2-acetyl-5-methyl-, FEMA No. 3609, Methyl 5-methyl-2-furyl ketone, W360902_ALDRICH, 1-(5-Methyl-2-furanyl)ethanone, Ketone, methyl 5-methyl-2-furyl, 299553_ALDRICH, EINECS 214-779-1, 1-(5-Methyl-2-furyl)ethan-1-one, NSC 80404, AIDS342167, AIDS-342167, ALBB-002841, NSC80404, BRN 0110853

Molecular Formula: C7H8O2Molecular Weight: 124.137220 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: KEFJLCGVTHRGAH-UHFFFAOYSA-N

• 2,4,5-Trihydroxypyrimidine
IUPAC Name: 1,3-diazinane-2,4,5-trione | CAS Registry Number: 496-76-4
Synonyms: 5-Hydroxyuracil, Isobarbituric acid, Isobarbituric acid (VAN) (8CI), CID96994, NSC95958, EINECS 207-829-9, 2,4,5(3H)-Pyrimidinetrione, dihydro-, NSC 95958, Dihydropyrimidine-2,4,5(3H)-trione

Molecular Formula: C4H4N2O3Molecular Weight: 128.086160 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: FQXOOGHQVPKHPG-UHFFFAOYSA-N

• 2,4-Dichloro-6-methylpyrimidine
IUPAC Name: 2,4-dichloro-6-methylpyrimidine | CAS Registry Number: 5424-21-5
Synonyms: Ambap1600, 2,6-Dichloro-4-methylpyrimidine, 144185_ALDRICH, Pyrimidine, 2,4-dichloro-6-methyl-, NSC13199, CID79471, EINECS 226-563-4, NSC 13199, ZINC01683310, AI3-26572

Molecular Formula: C5H4Cl2N2Molecular Weight: 163.004660 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: BTLKROSJMNFSQZ-UHFFFAOYSA-N

• 1-Hexadecanesulfonic Acid Sodium Salt
IUPAC Name: sodium hexadecane-1-sulfonate | CAS Registry Number: 15015-81-3
Synonyms: Conco sulfate C, Avitex C, Avitex SF, Tergitol anionic 7, Cetyl sodium sulfate, Sodium cetyl sulfate, Nikkol S.C.S, Cetyl sulfate sodium salt, Sodium palmityl sulfate, Hexadecyl sodium sulfate, Sodium hexadecyl sulfate, Sodium hexadecyl sulphate, Sodium n-hexadecyl sulfate, Sodium monohexadecyl sulfate, Sodium hexadecanesulfonate, Hexadecyl sulfate, sodium salt, Sodium 1-hexadecanesulfonate, Sodium hexadecane-1-sulphonate, 106410_ALDRICH, 143-02-2 (Parent)

Molecular Formula: C16H33NaO3SMolecular Weight: 328.486190 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: PNGBYKXZVCIZRN-UHFFFAOYSA-M

• 3-Hydroxybutyric acid
IUPAC Name: 3-hydroxybutanoic acid | CAS Registry Number: 300-85-6
Synonyms: Biopol, 3-hydroxybutyric acid, 3-hydroxybutanoic acid, Butanoic acid, 3-hydroxy-, 3-Hydroxybuttersaeure, beta-Hydroxybutyric acid, Butyric acid, 3-hydroxy-, beta-Hydroxybuttersaeure, 3-hydroxy-butanoic acid, Poly(3-hydroxybutyrate), DL-beta-Hydroxybutyric acid, Poly-beta-hydroxybutyrate, beta-Hydroxy-n-butyric acid, 3 HBA, .beta.-Hydroxybutyric acid, ()-3-Hydroxybutanoic acid, ( )-3-Hydroxybutyric acid, (1)-3-Hydroxybutyric acid, Poly-beta-hydroxybutyric acid, MLS001332397

Molecular Formula: C4H8O3Molecular Weight: 104.104520 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: WHBMMWSBFZVSSR-UHFFFAOYSA-N

• 2,4,5-Trichlorophenoxyacetic Acid
IUPAC Name: 2-(2,4,5-trichlorophenoxy)acetic acid | CAS Registry Number: 93-76-5
Synonyms: Fortex, Fence rider, Tippontormona, Crossbow, Phortox, Spontox, Trioxon, Forron, Reddon, Reddox, Line rider, Brush Killer, Brushtox, Fruitone A, Trioxone, Arbokan, BCF-Bushkiller, Tippon, Ded-Weed, Envert-T

Molecular Formula: C8H5Cl3O3Molecular Weight: 255.482500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: SMYMJHWAQXWPDB-UHFFFAOYSA-N

• 1,2-Dimethylcyclohexane
IUPAC Name: 1,2-dimethylcyclohexane | CAS Registry Number: 583-57-3
Synonyms: Hexahydro-o-xylene, Cyclohexane, 1,2-dimethyl-, 1,2-DIMETHYLCYCLOHEXANE, cis-1,2-Dimethylcyclohexane, 1,6-Dimethyl-cis-cyclohexane, D153001_ALDRICH, trans-1,2-Dimethylcyclohexane, 39970_FLUKA, NSC43769, Cyclohexane, 1,2-dimethyl-, cis-, EINECS 209-509-4, NSC 43769, Cyclohexane, 1,2-dimethyl-, trans-, Cyclohexane, 1,2-dimethyl- (cis/trans), Cyclohexane, 1,2-dimethyl- (8CI)(9CI), 1,2-Dimethylcyclohexane, mixture of cis and trans

Molecular Formula: C8H16Molecular Weight: 112.212640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: KVZJLSYJROEPSQ-UHFFFAOYSA-N

• 1-Benzyl-4-cyano-4-phenylpiperidine hydrochloride
IUPAC Name: 4-phenyl-1-(phenylmethyl)piperidine-4-carbonitrile | CAS Registry Number: 56243-25-5
Synonyms: Oprea1_757244, BC-4-PP, AIDS124351, AIDS-124351, NSC23832, EINECS 275-305-7, 1-Benzyl-4-cyano-4-phenylpiperidine, NSC 23832, 1-Benzyl-4-phenyl-4-piperidinecarbonitrile, ST5307945, TL8006225, 1-N-Benzyl-4-cyano-4-phenylpiperidine hydrochloride, 4-Piperidinecarbonitrile, 4-phenyl-1-(phenylmethyl)-, 1-Benzyl-4-phenylpiperidine-4-carbonitrile monohydrochloride, 71258-18-9

Molecular Formula: C19H20N2Molecular Weight: 276.375500 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: AUBONLVMDCVPQE-UHFFFAOYSA-N

• 2,6-DichloroPurine
IUPAC Name: 2,6-dichloro-7H-purine | CAS Registry Number: 5451-40-1
Synonyms: 2,6-Dichloropurine, 2, 6-Dichloropurine, Purine, 2,6-dichloro-, 2,6-dichloro-9H-purine, 2,6-Dichloro-1H-purine, 1H-Purine, 2,6-dichloro-, 2,6-DICHLORO PURINE, D73103_ALDRICH, 9H-purine, 2,6-dichloro-, 36390_FLUKA, AIDS021810, BM032, AIDS-021810, NSC18395, EINECS 226-681-6, NSC 18395, SBB000271, ZINC01769175, 1H-Purine, 2,6-dichloro- (9CI), KS-1014

Molecular Formula: C5H2Cl2N4Molecular Weight: 189.002180 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: RMFWVOLULURGJI-UHFFFAOYSA-N

• 2-Bromo-4'-Chloroacetophenone
IUPAC Name: 2-bromo-1-(4-chlorophenyl)ethanone | CAS Registry Number: 536-38-9
Synonyms: p-Chlorophenacyl bromide, 4'-Chlorophenacyl bromide, 4-Chlorophenacyl bromide, 2-Bromo-4'-chloroacetophenone, 2-Bromo-p-chloroacetophenone, Bromomethyl p-chlorophenyl ketone, p-(Bromoacetyl)chlorobenzene, Acetophenone, 2-bromo-4'-chloro-, omega-Bromo-p-chloroacetophenone, p-Chloro-omega-bromoacetophenone, 4-Chloro-omega-bromoacetophenone, alpha-Bromo-4'-chloroacetophenone, 101273_ALDRICH, alpha-Bromo-p-chloroacetophenone, Ethanone, 2-bromo-1-(4-chlorophenyl)-, NSC 8452, omega-Bromo-4-chloroacetophenone, EINECS 208-631-5, NSC8452, .alpha.-Bromo-p-chloroacetophenone

Molecular Formula: C8H6BrClOMolecular Weight: 233.489640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: FLAYZKKEOIAALB-UHFFFAOYSA-N

• 2'- Deoxycytidine 5'- Monophosphate, Disodium Salt
IUPAC Name: disodium [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-oxidooxolan-2-yl]methyl hydrogen phosphate | CAS Registry Number: 13085-50-2
Synonyms: EINECS 235-995-2, CID83124, 2'-Deoxycytidine 5'-(disodium phosphate)

Molecular Formula: C9H12N3Na2O7PMolecular Weight: 351.160781 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: HKNBOJGORNDJOL-CDNBRZBRSA-M

• (S)-(+)-2-Methoxy-2-Phenylethanol
IUPAC Name: (2S)-2-methoxy-2-phenylethanol | CAS Registry Number: 66051-01-2
Synonyms: (S)-(+)-2-Methoxy-2-phenylethanol, (S)-2-methoxy-2-phenylethanol, ST50824351, beta-Methoxyphenethyl alcohol, Benzeneethanol, beta-methoxy-, ZINC00389581, AC1LD6YK, |A-Methoxyphenethyl alcohol, SureCN2482267, 302147_ALDRICH, CTK8C6281, (+)-|A-Methoxyphenethyl alcohol, (2S)-2-methoxy-2-phenylethanol, (+)-beta-Methoxyphenethyl alcohol, (2S)-2-methoxy-2-phenylethan-1-ol, AK140008, KB-05008, FT-0605254, InChI=1/C9H12O2/c1-11-9(7-10)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H

Molecular Formula: C9H12O2Molecular Weight: 152.190380 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: JDTUPLBMGDDPJS-SECBINFHSA-N

• 1-(2,4,6-Triisopropylbenzenesulfonyl)-3-nitro-1H-1,2,4-triazole
IUPAC Name: 3-nitro-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyl-1,2,4-triazole | CAS Registry Number: 73118-37-3
Synonyms: TPSNI, AC1LDQXD, SureCN1123484, 92079_ALDRICH, 92079_FLUKA, MolPort-003-939-716, AKOS015904517, FT-0641445, X1054, 40730A, I14-17208, 1-(2,4,6-Triisopropylbenzenesulfonyl)-3-nitro-1,2,4-triazole, 1-(2,4,6-Trisopropylbenzenesulfonyl)-3-nitro-1,2,4-triazole, 3-nitro-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyl-1,2,4-triazole

Molecular Formula: C17H24N4O4SMolecular Weight: 380.461860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: XJBNCASBZVSLGO-UHFFFAOYSA-N

• 1-(trimethylsilyl)-1-hexyne
IUPAC Name: hex-1-ynyl(trimethyl)silane | CAS Registry Number: 3844-94-8
Synonyms: 1-Trimethylsilyl-1-hexyne, hex-1-ynyl(trimethyl)silane, AG-F-35586, Butyl(trimethylsilyl)acetylene, AC1LBPVE, Silane, 1-hexynyltrimethyl-, hex-1-yn-1-yltrimethylsilane, 348007_ALDRICH, AC1Q2V61, CTK3J1474, MolPort-001-787-116, ACT09655, RW1922, AKOS015840133, KB-13361, FT-0645298, X7197, A824157, I14-3380, Silane,1-hexynyltrimethyl- (6CI,7CI,8CI,9CI);1-(Trimethylsilyl)-2-butylacetylene;1-Butyl-2-trimethylsilylacetylene;1-Hexynyltrimethylsilane;Butyl(trimethylsilyl)acetylene;

Molecular Formula: C9H18SiMolecular Weight: 154.324720 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: SFCRJYVNDZSYCT-UHFFFAOYSA-N

• 1,1-Diphenylethylene
IUPAC Name: 1-phenylethenylbenzene | CAS Registry Number: 530-48-3
Synonyms: Diphenylethylene, 1,1-Diphenylethene, alpha-Phenylstyrene, as-Diphenylethylene, DDNU, .alpha.-Phenylstyrene, Ethylene, 1,1-diphenyl-, 1-phenyl-vinyl-benzene, 1,1-DIPHENYLETHYLENE, Benzene, 1,1'-ethenylidenebis-, alpha,alpha-Diphenylethylene, D206806_ALDRICH, alpha-Methylene-diphenylmethane, .alpha.,.alpha.-Diphenylethylene, .alpha.-Methylene-diphenylmethane, Ethylene, 1,1-diphenyl- (8CI), NSC57645, EINECS 208-482-6, NSC 57645, AI3-06164

Molecular Formula: C14H12Molecular Weight: 180.245080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: ZMYIIHDQURVDRB-UHFFFAOYSA-N

• (S)-(+)-2-(9-Fluorenylmethoxycarbonyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid
IUPAC Name: (3S)-2-(9H-fluoren-9-ylmethoxycarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate | CAS Registry Number: 136030-33-6
Synonyms: ZINC00621966, ZINC00621968, CID6957976

Molecular Formula: C25H20NO4-Molecular Weight: 398.430600 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: LIRBCUNCXDZOOU-QHCPKHFHSA-M

• 2,3-Butanediol
IUPAC Name: (2S,3S)-butane-2,3-diol | CAS Registry Number: 513-85-9
Synonyms: (S,S)-2,3-Butanediol, (S,S)-Butane-2,3-diol, (S,S)-2,3-Butylene glycol, L-()-2,3-Butanediol, 300349_ALDRICH, (2S,3S)-butane-2,3-diol, 18967_FLUKA, CHEBI:16812, (S,S)-(+)-2,3-butanediol, CPD-346, 2,3-BUTANEDIOL, 96%, (2S,3S)-()-2,3-Butanediol, (2S,3S)-(+)-2,3-Butanediol, ZINC00901619, TL8001564, C03046, 19132-06-0, BU3

Molecular Formula: C4H10O2Molecular Weight: 90.121000 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: OWBTYPJTUOEWEK-IMJSIDKUSA-N

• 18-Beta-Glycyrrhetinic Acid
IUPAC Name: (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid | CAS Registry Number: 471-53-4
Synonyms: enoxolone, Glycyrrhetin, Uralenic acid, Biosone, Glycyrrhetic acid, GLYCYRRHETINIC ACID, Glycyrrhetinate, Arthrodont, Enoloxone, Glyciram, Glycyram, Hidermart, Jintan, Rhetinic Acid, Hidermart (TN), Enoxolone (INN), 3-Glycyrrhetinic acid, 18beta-Glycyrrhetinic acid, 18-beta-Glycyrrhetinic acid, alpha-Glycyrrhetinic acid

Molecular Formula: C30H46O4Molecular Weight: 470.683840 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: MPDGHEJMBKOTSU-YKLVYJNSSA-N

• 2,7-Diaminofluorene dihydrochloride
IUPAC Name: 9H-fluorene-2,7-diamine | CAS Registry Number: 13548-69-1
Synonyms: 2,7-Diaminofluorene, 2,7-Fluorenediamine, 2,7-Fluoroenediamine, 9H-Fluorene-2,7-diamine, FLUORENE-2,7-DIAMINE, Fluorene-2,7-diyldiamine, CCRIS 920, Oprea1_360365, D17106_ALDRICH, 32980_FLUKA, EINECS 208-377-5, NSC 12277, WLN: L B656 HHJ EZ KZ, 9H-Fluorene-2,7-diamine (9CI), NSC12277, ZINC00248774, AI3-50463, LS-69252, TL8000831, 525-64-4

Molecular Formula: C13H12N2Molecular Weight: 196.247780 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: SNCJAJRILVFXAE-UHFFFAOYSA-N

• (S)-Mephenytoin
IUPAC Name: (5S)-5-ethyl-3-methyl-5-phenylimidazolidine-2,4-dione | CAS Registry Number: 70989-04-7
Synonyms: S-Mephenytoin, Mephenytoin, D-, MEPHENYTOIN, (S)-(+)-Mephenytoin, UC175_SIGMA, CID107921, ZINC00896648, NCGC00160394-01, (S)-(+)-5-Ethyl-3-methyl-5-phenylhydantoin, (5S)-5-Ethyl-3-methyl-5-phenyl-2,4-imidazolidinedione, (S)-(+)-5-Ethyl-3-methyl-5-phenyl-2,4-imidazolidinedione, 2,4-Imidazolidinedione, 5-ethyl-3-methyl-5-phenyl-, (S)-

Molecular Formula: C12H14N2O2Molecular Weight: 218.251760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: GMHKMTDVRCWUDX-LBPRGKRZSA-N

• (S)-(-)-2-Methyl-1-butanol
IUPAC Name: (2S)-2-methylbutan-1-ol | CAS Registry Number: 1565-80-6
Synonyms: Active amyl alcohol, Prim. active amyl alcohol, (S)-2-Methyl-1-butanol, (S)-2-Methylbutan-1-ol, (2S)-2-methyl-1-butanol, (2S)-2-methylbutan-1-ol, A83407_ALDRICH, D-2-METHYL-1-BUTANOL, 65979_FLUKA, 65980_FLUKA, CHEBI:50625, ZINC02040993, (S)-(−)-2-Methylbutanol, DL-2-METHYL-1-BUTANOL, PRACT, (S)-(−)-2-Methyl-1-butanol, 137-32-6

Molecular Formula: C5H12OMolecular Weight: 88.148180 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: QPRQEDXDYOZYLA-YFKPBYRVSA-N

• 1-ethynyl-1-cyclohexanol
IUPAC Name: 1-ethynylcyclohexan-1-ol | CAS Registry Number: 78-27-3
Synonyms: 1-Ethynylcyclohexanol, Ethynylcyclohexanol, (1-Hydroxycyclohexyl)ethyne, 1-ethynyl-cyclohexanol, 1-Ethynyl-1-cyclohexanol, 1-Ethynylcyclohexan-1-ol, CYCLOHEXANOL, 1-ETHYNYL-, Ethynylcyclohexan-1-ol, 1-Ethynyl-1-hydroxycyclohexane, E51406_ALDRICH, WLN: L6TJ AQ A1UU1, NSC 8194, EINECS 201-100-9, NSC8194, BRN 0471404, EINECS 249-123-3, SBB008829, ZINC01586461, AI3-07064, LS-57165

Molecular Formula: C8H12OMolecular Weight: 124.180280 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: QYLFHLNFIHBCPR-UHFFFAOYSA-N

• 1-Octyne
IUPAC Name: oct-1-yne | CAS Registry Number: 629-05-0
Synonyms: Hexylacetylene, 1-OCTYNE, oct-1-yne, Ambap4596, 244465_ALDRICH, 74970_FLUKA, EINECS 211-069-3, CID12370, BRN 1734494, LS-98155, TL8004312, 4-01-00-01034 (Beilstein Handbook Reference), InChI=1/C8H14/c1-3-5-7-8-6-4-2/h1H,4-8H2,2H, 32073-03-3

Molecular Formula: C8H14Molecular Weight: 110.196760 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: UMIPWJGWASORKV-UHFFFAOYSA-N

• 2-Chloro-1-methylpyridinium iodide
IUPAC Name: 2-chloro-1-methylpyridin-1-ium iodide | CAS Registry Number: 14338-32-0
Synonyms: 198005_ALDRICH, EINECS 238-288-7, 2-chloro-1-methyl-pyridinium iodide, NSC200739, LS-184963

Molecular Formula: C6H7ClINMolecular Weight: 255.483950 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: ABFPKTQEQNICFT-UHFFFAOYSA-M

• 1,2-Cyclohexanedione
IUPAC Name: cyclohexane-1,2-dione | CAS Registry Number: 765-87-7
Synonyms: 1,2-CYCLOHEXANEDIONE, 1,2-Dioxocyclohexane, 1,2-Cyclohexadione, Cyclohexane-1,2-dione, Cyclohexan-1,2-dione, CCRIS 6296, C101400_ALDRICH, CHEBI:41674, EINECS 212-155-3, NSC 32950, NSC627435, AIDS132768, AIDS-132768, CID13006, NSC32950, BRN 0507419, CPD0-1349, ZINC01530349, AI3-25042, 1,2-CYCLOHEXANEDIONE,KETONE FORM

Molecular Formula: C6H8O2Molecular Weight: 112.126520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: OILAIQUEIWYQPH-UHFFFAOYSA-N

• 1-(5-Chloronaphthalene-1-sulfonyl)-1H-hexahydro-1,4-diazepine hydrochloride
IUPAC Name: 1-(5-chloronaphthalen-1-yl)sulfonyl-1,4-diazepane hydrochloride | CAS Registry Number: 105637-50-1
Synonyms: ML-9, Hydrochloride, ML-9, ML 9, C15H17ClN2O2S.HCl, C1172_SIGMA, IN1221, NSC734549, NCGC00093681-01, LS-171976, EU-0100209, K00008, 1-(5-Chloronaphthalene-1-sulfonyl)homopiperazine, HCl, 1-(5-Chloronaphthalene-1-sulfonyl)-1H-hexahydro-1,4-diazepine HCl, 1-(5-Chloronaphthalenesulfonyl)homopiperazine hydrochloride, 1-(5-chloronaphthalene-1-sulfonyl)-1H-hexahydro-1,4-diazepine, ML-9; 1-(5-Chloronaphthalene-1-sulfonyl)homopiperazine, HCl, 1H-1,4-Diazepine, 1-((5-chloro-1-naphthalenyl)sulfonyl)hexahydro-, monohydrochloride

Molecular Formula: C15H18Cl2N2O2SMolecular Weight: 361.286620 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: ZNRYCIVTNLZOGI-UHFFFAOYSA-N

• 1,6-Hexanediamine
IUPAC Name: hexane-1,6-diamine | CAS Registry Number: 124-09-4
Synonyms: 1,6-Diaminohexane, Hexamethylenediamine, Hexylenediamine, HMDA, 1,6-Hexylenediamine, 1,6-Diamino-n-hexane, 1,6-Hexamethylenediamine, HEXANE-1,6-DIAMINE, HEXAMETHYLENE DIAMINE, Hexane, 1,6-diamino-, 1,6-Hexanediamine (solution), Hexamethylenediamine solution, 1,6-Diaminohexane solution, WLN: Z6Z, CCRIS 6224, Hexamethylene diamine, solid, HSDB 189, NCIOpen2_002722, H11696_ALDRICH, Hexamethylene diamine, solution

Molecular Formula: C6H16N2Molecular Weight: 116.204640 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: NAQMVNRVTILPCV-UHFFFAOYSA-N

• 1-(Triisopropylsilyl)Pyrrole
IUPAC Name: tri(propan-2-yl)-pyrrol-1-ylsilane | CAS Registry Number: 87630-35-1
Synonyms: N-Triisopropylsilylpyrrole, 1-(Triisopropylsilyl)pyrrole, 1-(Triisopropylsilyl)-1H-pyrrole, 377945_ALDRICH, TN215G1, CID145136, 1H-Pyrrole, 1-[tris(1-methylethyl)silyl]-

Molecular Formula: C13H25NSiMolecular Weight: 223.429800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: FBQURXLBJJNDBX-UHFFFAOYSA-N

• 2,3-Quinoxalinedione, 1,4-dihydro-
IUPAC Name: 1,4-dihydroquinoxaline-2,3-dione | CAS Registry Number: 15804-19-0
Synonyms: Quinoxaline-2,3-diol, 2,3-QUINOXALINEDIOL, 2,3-Dihydroxyquinoxaline, 1,4-Dihydro-2,3-quinoxalinedione, Quinoxaline, 2,3-dihydroxy-, USAF EK-6232, 2,3(1H,4H)-Quinoxalinedione, MLS000681641, 144789_ALDRICH, ARONIS014393, 2,3-DIHYDROXYGUINOXALINE, NSC 8698, EINECS 239-901-0, NSC8698, NSC9431, WLN: T66 BN ENJ CQ DQ, AIDS019740, AIDS-019740, SBB000138, ZINC00055215

Molecular Formula: C8H6N2O2Molecular Weight: 162.145440 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: ABJFBJGGLJVMAQ-UHFFFAOYSA-N

• 1-heptene
IUPAC Name: hept-1-ene | CAS Registry Number: 592-76-7
Synonyms: Heptylene, 1-HEPTENE, n-Hept-1-ene, 1-n-Heptene, Heptene (petroleum), HEPTENE, H3208_ALDRICH, Alkenes, C6-8, C7-rich, HSDB 1078, 442267U_SUPELCO, Heptene (mixed cis and trans), 262269_ALDRICH, 51856_FLUKA, EINECS 209-767-8, NSC 74130, UN2278, NSC74130, EINECS 246-871-2, EINECS 271-209-4, LS-74578

Molecular Formula: C7H14Molecular Weight: 98.186060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: ZGEGCLOFRBLKSE-UHFFFAOYSA-N

• 1,1,3,3-Tetramethyl-2-Thiourea
IUPAC Name: 1,1,3,3-tetramethylthiourea | CAS Registry Number: 2782-91-4
Synonyms: Basthioryl, Thiourea, tetramethyl-, TETRAMETHYLTHIOUREA, TMTU, Tetramethyl-2-thiourea, N,N,N',N'-Tetramethylthiourea, Urea, thio-, tetramethyl-, 1,1,3,3-Tetramethylthiourea, CCRIS 4871, Urea, 1,1,3,3-tetramethyl-2-thio-, 1,1,3,3-Tetramethyl-2-thiourea, HSDB 6777, NA-101, 115169_ALDRICH, EINECS 220-488-0, NSC 102499, CID17725, BRN 1744916, thiourea, N,N,N',N'-tetramethyl-, NSC102499

Molecular Formula: C5H12N2SMolecular Weight: 132.227180 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: MNOILHPDHOHILI-UHFFFAOYSA-N

• 2-Chloro ethane sulfonic acid sodium salt
IUPAC Name: 2-chloroethanesulfonic acid | CAS Registry Number: 15484-44-3
Synonyms: 2-Chloroethanesulphonic acid, Ethanesulfonic acid, 2-chloro-, 2-CHLOROETHANESULFONIC ACID, CHLOROETHANESULFONIC ACID, Na, EINECS 241-935-6, 18024-00-5

Molecular Formula: C2H5ClO3SMolecular Weight: 144.577300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: FXKMTSIKHBYZSZ-UHFFFAOYSA-N

• 2,3-Dihydrofuran
IUPAC Name: 2,3-dihydrofuran | CAS Registry Number: 1191-99-7
Synonyms: 4,5-Dihydrofuran, Furan, 2,3-dihydro-, 200018_ALDRICH, CHEBI:51662, 2,3-DHF, ZINC01752336, CID70934, NSC85221, EINECS 214-747-7, NSC 85221, InChI=1/C4H6O/c1-2-4-5-3-1/h1,3H,2,4H, 27535-65-5, 36312-17-1

Molecular Formula: C4H6OMolecular Weight: 70.089840 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: JKTCBAGSMQIFNL-UHFFFAOYSA-N

• 16-Dehydro-Pregnenolone
IUPAC Name: 1-[(3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone | CAS Registry Number: 1162-53-4
Synonyms: 16-Dehydropregnenolone, 16-Dehydropregnolone, delta16-Pregnenolone, Delta(16)-pregnenolone, .DELTA.16-Pregnenolone, 16,17-Didehydropregnenolone, CHEBI:27486, BB_NC-0066, NSC15467, EINECS 214-602-8, 3beta-Hydroxypregna-5,16-dien-20-one, 5,16-Pregnadien-3beta-ol-20-one, NSC 15467, ZINC02122287, 3-beta-Hydroxypregna-5,16-dien-20-one, (3beta)-3-hydroxypregna-5,16-dien-20-one, Pregna-5,16-dien-20-one, 3.beta.-hydroxy-, Pregna-5,16-dien-20-one, 3beta-hydroxy- (8CI), Pregna-5,16-dien-20-one, 3-hydroxy-, (3.beta.)-, Pregna-5,16-dien-20-one, 3-hydroxy-, (3beta)- (9CI)

Molecular Formula: C21H30O2Molecular Weight: 314.461700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YLFRRPUBVUAHSR-RRPFGEQOSA-N

• 1,6-Hexanediol
IUPAC Name: hexane-1,6-diol | CAS Registry Number: 629-11-8
Synonyms: Hexamethylene glycol, Hexamethylenediol, 1,6-HEXANEDIOL, Hexane-1,6-diol, 1,6-Dihydroxyhexane, .omega.-Hexanediol, alpha,omega-Hexanediol, 1,6-Hexanediol solution, .alpha.,.omega.-Hexanediol, WLN: Q6Q, CCRIS 8982, H11807_ALDRICH, HSDB 6488, NSC 508, 240117_ALDRICH, NSC508, 88571_FLUKA, EINECS 211-074-0, BRN 1633461, ZINC01555566

Molecular Formula: C6H14O2Molecular Weight: 118.174160 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: XXMIOPMDWAUFGU-UHFFFAOYSA-N

• 1-Cyclohexyl-3-(2-Morpholinoethyl)Carbodiimide Metho-P-Toluenesulfonate
IUPAC Name: N'-cyclohexyl-N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]methanediimine; 4-methylbenzenesulfonate | CAS Registry Number: 2491-17-0
Synonyms: CME-CARBODIIMIDE, CHM (VAN), C1011_SIGMA, NSC231596, 29469_FLUKA, 29469_SIGMA, CID17220, EINECS 219-650-3, NSC 231596, LT00159505, 1-Cyclohexyl 3-(2-morpholinoethyl)carbodiimide methotosylate, 1-Cyclohexyl-3-(2-morpholinoethyl)carbodiimide methyl-p-toluenesulfonate, N-Cyclohexyl-N'-(2-morpholinoethyl)carbodiimide metho-p-toluenesulfonate, N-Cyclohexyl-N'-2-morpholinyl(4)ethylcarbodiimide methyl-p-toluenesulfonate, 1-Cyclohexyl-3-(2-morpholinyl-(4)-ethyl)carbodiimide metho-p-toluenesulfonate, 4-(2-((Cyclohexylcarbonimidoyl)amino)ethyl)-4-methylmorpholinium toluene-p-sulphonate, Morpholinium, 4-[2-[(cyclohexylimidocarbonyl)amino]ethyl]-4-methyl-, p-toluenesulfonate, N-Cyclohexyl-N'-(beta-(4-methylmorpholinio)ethyl)carbodiimide p-toluenesulfonate, N-Cyclohexyl-N'-(beta-[N-methylmorpholino]ethyl)carbodiimide p-toluenesulfonate, N-Cyclohexyl-N'-.beta.-(methylmorpholinium)ethylcarbodiimide p-toluenesulfonate

Molecular Formula: C21H33N3O4SMolecular Weight: 423.569420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: GBCAVSYHPPARHX-UHFFFAOYSA-M

• 2,3-Dichloro-1-Propanol
IUPAC Name: 2,3-dichloropropan-1-ol | CAS Registry Number: 616-23-9
Synonyms: 2,3-Dichloro-1-propanol, beta-Dichlorohydrin, 1-Propanol, 2,3-dichloro-, 2,3-DICHLOROPROPANOL, 2,3-Dichloropropan-1-ol, alpha,beta-Dichlorohydrin, nchembio.205-comp4, 1,2-Dichloro-3-propanol, 2,3-Dichloropropyl alcohol, DC1P, Glycerol 1,2-dichlorohydrin, CCRIS 954, .alpha.,.beta.-Dichlorohydrin, 2,3-Dichloropropane-1-ol, HSDB 2743, MLS002415683, 36295_ALDRICH, Glycerol alpha,beta-dichlorohydrin, 36295_FLUKA, EINECS 210-470-0

Molecular Formula: C3H6Cl2OMolecular Weight: 128.985140 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: ZXCYIJGIGSDJQQ-UHFFFAOYSA-N

• 2,4-Di-Tert-Amylphenol
IUPAC Name: 2,4-bis(2-methylbutan-2-yl)phenol | CAS Registry Number: 120-95-6
Synonyms: Di-tert-amylphenol, 2,4-Di-tert-amylphenol, Prodox 156, 2,4-Di-tert-pentylphenol, Phenol, 2,4-di-tert-pentyl-, 2,4-DI-T-PENTYLPHENOL, Phenol, 2,4-bis(1,1-dimethylpropyl)-, HSDB 5588, 372099_ALDRICH, EINECS 204-439-0, NSC 158351, BRN 2370274, 2,4-Bis(1,1-dimethylpropyl)phenol, NSC158351, ZINC01605946, NCGC00164151-01, LS-104578, ST5307419, 3-06-00-02085 (Beilstein Handbook Reference)

Molecular Formula: C16H26OMolecular Weight: 234.377040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: WMVJWKURWRGJCI-UHFFFAOYSA-N

• 5-Nitro-6-methyluracil
IUPAC Name: 6-methyl-5-nitro-1H-pyrimidine-2,4-dione | CAS Registry Number: 16632-21-6
Synonyms: 6-Methyl-5-nitrouracil, 4-Methyl-5-nitrouracil, Maybridge1_006298, Uracil, 6-methyl-5-nitro-, D8378_SIGMA, AIDS046395, AIDS-046395, NSC40201, EINECS 240-688-1, STK294123, ZINC03898526, 2,4-Dihydroxy-6-methyl-5-nitropyrimidine, 5-nitro-6-methyl-2,4-pyrimidinediol, ST5409433, EU-0000846, 2,4(1H,3H)-Pyrimidinedione, 6-methyl-5-nitro-, AC-907/30003030

Molecular Formula: C5H5N3O4Molecular Weight: 171.110900 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: LIVYMRJSNFHYEN-UHFFFAOYSA-N

• 2,4,6-Trimethylbenzyl chloride
IUPAC Name: 2-(chloromethyl)-1,3,5-trimethylbenzene | CAS Registry Number: 1585-16-6
Synonyms: alpha2-Chloroisodurene, .alpha.2-Chloroisodurene, 136980_ALDRICH, 2,4,6-Trimethyl benzyl chloride, NSC405484, ALBB-005964, CID74108, EINECS 216-440-3, 2-(Chloromethyl)-1,3,5-trimethylbenzene, Benzene, 2-(chloromethyl)-1,3,5-trimethyl-, AI3-15521, ST5214107, TL80073970, InChI=1/C10H13Cl/c1-7-4-8(2)10(6-11)9(3)5-7/h4-5H,6H2,1-3H

Molecular Formula: C10H13ClMolecular Weight: 168.663220 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: UNRGEIXQCZHICP-UHFFFAOYSA-N

• 2-(2-Hydroxyethyl)pyridine
IUPAC Name: 2-pyridin-2-ylethanol | CAS Registry Number: 103-74-2
Synonyms: Pyridine-2-ethanol, 2-PYRIDINEETHANOL, 2-Pyridylethanol, 2-(2-Pyridyl)ethanol, 2-pyridin-2-ylethanol, Ambap4520, 2-ETHANOLPYRIDINE, 2-(beta-Hydroxyethyl)pyridine, NCIOpen2_000827, HSDB 5357, 2-(2-Hydroxyethyl)-pyridine, Pyridine, 2-(2-hydroxyethyl)-, 128643_ALDRICH, NSC 2144, EINECS 203-140-2, NSC2144, AIDS020381, AIDS-020381, NSC77979, BRN 0111205

Molecular Formula: C7H9NOMolecular Weight: 123.152460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: BXGYBSJAZFGIPX-UHFFFAOYSA-N

• 2,5-Dihydroxybenzaldehyde
IUPAC Name: 2,5-dihydroxybenzaldehyde | CAS Registry Number: 1194-98-5
Synonyms: Gentisaldehyde, Gentisate aldehyde, Ambap5842, Benzaldehyde, 2,5-dihydroxy-, 2,5-DHBAOP, NCIOpen2_000629, D108200_ALDRICH, CHEBI:28508, 2,5-Dihydroxybenzaldehyde polymer, AIDS220859, AIDS220866, AIDS-220859, AIDS-220866, CID70949, NSC72387, EINECS 214-789-6, NSC 72387, ZINC00895809, C05585, InChI=1/C7H6O3/c8-4-5-3-6(9)1-2-7(5)10/h1-4,9-10

Molecular Formula: C7H6O3Molecular Weight: 138.120740 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: CLFRCXCBWIQVRN-UHFFFAOYSA-N

• 1-(Trimethylsilyl)-1H-Imidazole
IUPAC Name: imidazol-1-yl(trimethyl)silane | CAS Registry Number: 18156-74-6
Synonyms: TSIM, 1-(Trimethylsilyl)imidazole, (Trimethylsilyl)imidazole, TMSI, N-(Trimethylsilyl)imidazol, N-(Trimethylsilyl)imidazole, Imidazole, 1-(trimethylsilyl)-, N-Trimethylsilylimidazole, 1H-Imidazole, 1-(trimethylsilyl)-, N-(Trimethylsilyl)-imidazole, Imidazole N-1 deriv. 6, 1-(Trimethylsilyl)-1H-imidazole, Silylating mixture Fluka VII, TMSI???, MLS001074885, 153583_ALDRICH, 394874_ALDRICH, 92718_FLUKA, 92751_FLUKA, EINECS 242-040-3

Molecular Formula: C6H12N2SiMolecular Weight: 140.258380 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: YKFRUJSEPGHZFJ-UHFFFAOYSA-N

• 1-Methylcyclopentene
IUPAC Name: 1-methylcyclopentene | CAS Registry Number: 693-89-0
Synonyms: 1-Methyl-1-cyclopentene, Cyclopentene, 1-methyl-, Methylcyclopentene, 1-METHYLCYCLOPENTENE, Cyclopentene, methyl-, M39806_ALDRICH, 66540_FLUKA, CID12746, NSC64657, EINECS 211-762-0, NSC 64657, Cyclopentene, 1-methyl- (8CI)(9CI), TL8004860, Naphthalenesulfonic acid, butyl-, ammonium salt, InChI=1/C6H10/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H, 27476-50-2

Molecular Formula: C6H10Molecular Weight: 82.143600 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: ATQUFXWBVZUTKO-UHFFFAOYSA-N

• 2-Hydroxycaprylic Acid
IUPAC Name: 2-hydroxyoctanoic acid | CAS Registry Number: 617-73-2
Synonyms: 2-Hydroxyoctanoic acid, alpha-Hydroxycaprylic acid, 2-hydroxy caprylic acid, 2-hydroxy-octanoic acid, 2-Hydroxy-n-caprylic Acid, bmse000572, ()-2-Hydroxycaprylic acid, ()-2-Hydroxyoctanoic acid, .alpha.-Hydroxycaprylic acid, H7396_SIGMA, (+/-)-2-Hydroxycaprylic acid, (+/-)-2-Hydroxyoctanoic acid, CID94180, EINECS 210-524-3, LMFA01050020, NSC189703, NSC 189703, TL8003944

Molecular Formula: C8H16O3Molecular Weight: 160.210840 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: JKRDADVRIYVCCY-UHFFFAOYSA-N

• 2,3-Dimethoxybenzyl alcohol
IUPAC Name: (2,3-dimethoxyphenyl)methanol | CAS Registry Number: 5653-67-8
Synonyms: o-Veratryl alcohol, Benzenemethanol, 2,3-dimethoxy-, 126314_ALDRICH, CID79738, NSC87568, EINECS 227-099-5, NSC403220, ZINC00157466, AI3-20629, ST5406202, InChI=1/C9H12O3/c1-11-8-5-3-4-7(6-10)9(8)12-2/h3-5,10H,6H2,1-2H

Molecular Formula: C9H12O3Molecular Weight: 168.189780 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: CRLBBOBKCLYCJK-UHFFFAOYSA-N


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