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• Zeaxanthin

IUPAC Name: (1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol | CAS Registry Number: 144-68-3
Synonyms: Beta,beta-carotene-3,3'-diol, 14681_FLUKA, CHEBI:27547, EINECS 205-636-4, (3R,3'R)-beta,beta-Carotene-3,3'-diol, LMPR01070261, NSC713073, CID5280899, LS-185818, C06098

Molecular Formula:	C₄₀H₅₆O₂	Molecular Weight:	568.871440 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: JKQXZKUSFCKOGQ-QAYBQHTQSA-N

• Zinc Glycinate

IUPAC Name: zinc 2-aminoacetate | CAS Registry Number: 14281-83-5
Synonyms: Zinc glycinate, Bis(glycinato-N,O)zinc, (T-4)-Bis(glycinato-N,O)zinc, EINECS 238-173-1, CID151910

Molecular Formula:	C₄H₈N₂O₄Zn	Molecular Weight:	213.526320 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: UOXSXMSTSYWNMH-UHFFFAOYSA-L

• 4-Bromo-2-fluorobenzamide

IUPAC Name: 4-bromo-2-fluorobenzamide

Molecular Formula:	C₇H₅BrFNO	Molecular Weight:	218.023103 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: MJDRFCPNHLHNON-UHFFFAOYSA-N

• 2-Aminobenzotrifluoride

IUPAC Name: 2-(trifluoromethyl)aniline | CAS Registry Number: 88-17-5
Synonyms: o-Aminobenzotrifluoride, o-Trifluoromethylaniline, o-(Trifluoromethyl)aniline, Benzenamine, 2-(trifluoromethyl)-, 2-Trifluoromethylaniline, 2-(TRIFLUOROMETHYL)ANILINE, 2-(Trifluoromethyl)benzenamine, CCRIS 2811, A41607_ALDRICH, alpha,alpha,alpha-Trifluoro-o-toluidine, 07040_FLUKA, EINECS 201-806-7, CID6922, NSC 10336, UN2942, NSC10336, SBB003955, ZINC00157590, AI3-26182, FR-0662

Molecular Formula:	C₇H₆F₃N	Molecular Weight:	161.124450 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: VBLXCTYLWZJBKA-UHFFFAOYSA-N

• (R)-3,3-Diphenyl-1-methylpyrrolidino[1,2-c]-1,3,2-oxazaborole

IUPAC Name: 1-methyl-3,3-diphenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaborole | CAS Registry Number: 133261-83-3
Synonyms: VMKAFJQFKBASMU-UHFFFAOYSA-N, AC1LB4A9, SCHEMBL177309, ACMC-2099c2, ACMC-2099c3, (S)-1-methyl-3,3-diphenyl-hexahydropyrrolo[1,2-c][1,3,2]oxazaborole, 1-Methyl-3,3-diphenyltetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaborole #, MolPort-035-394-822, (S)-(-)-2-Methyl-CBSoxazaborolidine, MCULE-7144253781, SC-00362, SC-20465, AB0088686, AB1011164, (S)-3,3-Diphenyl-1-methylpyrrolidino[1,2-c]-1,3,2-, 2-methyl-5,5-diphenyl-3,4-propano-1,3,2-oxazaborolidine, 1-methyl-3,3-diphenyl-hexahydropyrrolo[1,2-c][1,3,2]oxazaborole, 1-methyl-3,3-diphenyltetrahydropyrrolo[1,2-c][1,3,2]oxazaborole, (R)-1-methyl-3,3-diphenyl-hexahydropyrrolo[1,2-c][1,3,2]oxazaborole, 1-Methyl-3,3-diphenyltetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaborole

Molecular Formula:	C₁₈H₂₀BNO	Molecular Weight:	277.174 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: VMKAFJQFKBASMU-UHFFFAOYSA-N

• 2-Methyl-4-Isothiazolin-3-One

IUPAC Name: 2-methyl-1,2-thiazol-3-one hydrochloride | CAS Registry Number: 2682-20-4
Synonyms: MLS001332655, MLS001332656, M6045_SIGMA, EINECS 247-499-3, 2-Methyl-4-isothiazolin-3-one hydrochloride, 2-Methyl-3-isothiazolone hydrochloride, SMR000875225, 2-Methyl-2H-isothiazol-3-one hydrochloride, 3(2H)-Isothiazolone, 2-methyl-, hydrochloride, 116680-95-6, 26172-54-3, MIT

Molecular Formula:	C₄H₆ClNOS	Molecular Weight:	151.614540 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: SJXPQSRCFCPWQQ-UHFFFAOYSA-N

• 10 Hydroxycamptothecin

Synonyms: 10-Hydroxycamptothecin, Hydroxycamptothecin, Hydroxycamptothecine, Camptothecin, hydroxy-, 10-Hydroxy-CPT, HCPT, Spectrum_001639, SpecPlus_000763, 10-Hydroxy camptothecin, Camptothecine, 10-hydroxy-, Spectrum2_001660, Spectrum3_001621, Spectrum4_001815, Spectrum5_000549, Camptothecin, 10-hydroxy-, 10-HCPT, BSPBio_003281, KBioGR_002454, KBioSS_002119, CAMPTOTHECIN, 10-HYDROXY

Molecular Formula:	C₂₀H₁₆N₂O₅	Molecular Weight:	364.351440 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: HAWSQZCWOQZXHI-FQEVSTJZSA-N

• 2,4-difluorobenzoic acid

IUPAC Name: 2,4-difluorobenzoic acid | CAS Registry Number: 1583-58-0
Synonyms: 2,4-Difluorobenzoic acid, Ambap1792, 2,4-Difluoro-benzoic acid, Benzoic acid, 2,4-difluoro-, 2,4-DIFLUOROBENZOATE, 264296_ALDRICH, NSC10312, CID74102, JRD-0116, EINECS 216-430-9, TL806420, InChI=1/C7H4F2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11

Molecular Formula:	C₇H₄F₂O₂	Molecular Weight:	158.102266 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: NJYBIFYEWYWYAN-UHFFFAOYSA-N

• 7-Ethyl-10-Hydroxycamptothecin

Synonyms: Camptothecin analog, SN-38, 7-Ethyl-10-hydroxycamptothecin, SN38, SN 38, 7-Ethyl-10-hydroxy-camptothecin, Captothecin, 7-ethyl-10-hydroxy-, NSC673596, AIDS058635, AIDS-058635, 7-Ethyl-10-hydroxy-20(S)-CPT, 7-ethyl-10-hydroxy-20(s)-campthothecin, 7-Ethyl-10-hydroxy-20(S)-camptothecin, NCI60_026056, SL-00817, LS-127394, TL8005626, C11173, (4S)-4,11-Diethyl-4,9-dihydroxy-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 4,7-diethyl-4,10-dihydroxy-

Molecular Formula:	C₂₂H₂₀N₂O₅	Molecular Weight:	392.404600 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: FJHBVJOVLFPMQE-QFIPXVFZSA-N

• 9-Methoxycamptothecin

Synonyms: Methoxycamptothecin, 10-Methoxycamptothecin, Camptothecin, methoxy-, Camptothecine, 10-methoxy-, CAMPTOTHECIN,10-METHOXY, CHEBI:223382, CID97283, Camptothecine, 10-methoxy- (8CI), NSC111533, NSC 111533, NCI60_000257, 1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 4-ethyl-4-hydroxy-9-methoxy-, (S)- (9CI), 1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4-ethyl-4-hydroxy-9-methoxy-, (S)-, 20(S)-4-Ethyl-4-hydroxy-9-methoxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione, 4-Ethyl-4-hydroxy-9-methoxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione

Molecular Formula:	C₂₁H₁₈N₂O₅	Molecular Weight:	378.378020 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: KLFJSYOEEYWQMR-NRFANRHFSA-N

• 10-Nitro Camptothecin

Synonyms: Rubitecan, Camptogen, Orathecin, 9-Nitrocamptothecin, 9-NC, RFS-2000, CHEBI:224181, AIDS072618, AIDS-072618, CID472335, ZINC03827362, ST-2617, NCGC00167969-01, (S)-4-Ethyl-4-hydroxy-10-nitro-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione, 1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4-ethyl-4-hydroxy-9-nitro-, 4-Ethyl-4-hydroxy-10-nitro-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione, 9NC

Molecular Formula:	C₂₀H₁₅N₃O₆	Molecular Weight:	393.349600 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	7

InChIKey: VHXNKPBCCMUMSW-FQEVSTJZSA-N

• 3-Chloro-2-fluorobenzyl bromide

IUPAC Name: 1-(bromomethyl)-3-chloro-2-fluorobenzene | CAS Registry Number: 85070-47-9
Synonyms: JRD-0886, CID522827, 1-(Bromomethyl)-3-chloro-2-fluorobenzene, CD 10824, TL8005558

Molecular Formula:	C₇H₅BrClF	Molecular Weight:	223.470003 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: HYILLTADABKYHO-UHFFFAOYSA-N

• 3-Cyclopentylacrylonitrile

IUPAC Name: (E)-3-cyclopentylprop-2-enenitrile | CAS Registry Number: 591769-05-0
Synonyms: SureCN99596, AC1Q4Q6F, (E)-3-cyclopentylacrylonitrile, (2E)-3-cyclopentylprop-2-enenitrile, AKOS011598462, I14-27377

Molecular Formula:	C₈H₁₁N	Molecular Weight:	121.179640 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: VMELXYJYSXXORF-ZZXKWVIFSA-N

• (1R,2S)-2-(3,4-difluorophenyl)cyclopropanamine

IUPAC Name: (1R,2S)-2-(3,4-difluorophenyl)cyclopropan-1-amine | CAS Registry Number: 220352-38-5
Synonyms: (1R,2S)-2-(3,4-Difluorophenyl)cyclopropanamine, Cyclopropanamine, 2-(3,4-difluorophenyl)-, (1R,2S)-, SureCN245340, CYC027, CTK8C4134, MolPort-021-783-251, ANW-71109, AKOS015951193, PB31784, RP00032, AK104664, KB-00446, AB1008494, AM20090745, X4777, (1R,2S)-2-(3,4-DIFLUORO-PHENYL)-CYCLOPROPYLAMINE, (1R TRANS)-2-(3,4-DIFLUOROPHENYL)CYCLOPROPANE AMINE, (1R,2S)-2-(3,4-DIFLUOROPHENYL)CYCLOPROPAN-1-AMINE, TRANS-(1R,2S)-2-(3,4-DIFLUOROPHENYL)CYCLOPROPYLAMINE

Molecular Formula:	C₉H₉F₂N	Molecular Weight:	169.171266 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: QVUBIQNXHRPJKK-IMTBSYHQSA-N

• 1,2-Diethylbenzene

IUPAC Name: 1,2-diethylbenzene | CAS Registry Number: 135-01-3
Synonyms: Diethylbenzol, o-Diethylbenzene, Benzene, diethyl-, Benzene, o-diethyl-, Benzene, 1,2-diethyl-, DIETHYLBENZENE, 1,2-DIETHYLBENZENE, Diethylbenzenes (mixed isomer), D90601_ALDRICH, HSDB 4081, 32008_ALDRICH, 32008_FLUKA, 32009_FLUKA, EINECS 205-170-1, EINECS 246-874-9, CID8657, UN2049, NSC 405068, BRN 1903396, BRN 1904392

Molecular Formula:	C₁₀H₁₄	Molecular Weight:	134.218160 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: KVNYFPKFSJIPBJ-UHFFFAOYSA-N

• 3-Trifluoromethyl Aniline

IUPAC Name: 3-(trifluoromethyl)aniline | CAS Registry Number: 98-16-8
Synonyms: 3-Aminobenzotrifluoride, m-Abtf, m-Aminobenzotrifluoride, 3-(Trifluoromethyl)aniline, m-Aminobenzal fluoride, Benzenamine, 3-(trifluoromethyl)-, USAF MA-4, 3-Trifluoromethyl aniline, m-Trifluoromethylaniline, WLN: ZR CXFFF, 3-(Trifluoromethyl)benzenamine, 3-Amino-a,a,a-trifluorotoluene, M-(TRIFLUOROMETHYL)ANILINE, CCRIS 2812, A41801_ALDRICH, 1-Amino-3-(trifluoromethyl)benzene, HSDB 4249, NSC 4540, 07060_FLUKA, alpha,alpha,alpha-Trifluoro-m-toluidine

Molecular Formula:	C₇H₆F₃N	Molecular Weight:	161.124450 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: VIUDTWATMPPKEL-UHFFFAOYSA-N

• 2,4-dichloro-5-methoxyaniline

IUPAC Name: 2,4-dichloro-5-methoxyaniline | CAS Registry Number: 98446-49-2
Synonyms: MLS000707240, ZINC01388874, 4L-348S, CID1476636, SMR000334622

Molecular Formula:	C₇H₇Cl₂NO	Molecular Weight:	192.042580 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: AJROJTARXSATEB-UHFFFAOYSA-N

• 10-HYDROXY-9-NITROCAMPTOTHECIN

Synonyms: 9-Hydroxy-10-nitrocamptothecin, CHEBI:223162, CID190791, 1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 4-ethyl-4,9-dihydroxy-10-nitro-, (4S)-, 4-Ethyl-4,9-dihydroxy-10-nitro-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione

Molecular Formula:	C₂₀H₁₅N₃O₇	Molecular Weight:	409.349000 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	8

InChIKey: DTZABKRGTMUGCV-FQEVSTJZSA-N

• 3-FLUORO-4-METHYLPHENYLISOTHIOCYANATE

IUPAC Name: 2-fluoro-4-isothiocyanato-1-methylbenzene | CAS Registry Number: 143782-23-4
Synonyms: 2-fluoro-4-isothiocyanato-1-methylbenzene, 3-fluoro-4-methylphenylisothiocyanate, 3-Fluoro-4-methylphenyl isothiocyanate, Benzene,2-fluoro-4-isocyanato-1-methyl-, NSC129255, ACMC-20cfy9, AC1L5PGA, AC1Q2FF6, AC1Q4N9B, CTK4A1193, MolPort-000-155-719, AR-1E1723, ZINC01870190, AKOS000212301, AG-K-87396, NSC-129255, KB-31829, FT-0694509, EN300-14933, 1-Fluoro-5-isocyanato-2-methylbenzene;2-Fluoro-4-isocyanato-1-methylbenzene; 3-Fluoro-4-methylphenyl isocyanate

Molecular Formula:	C₈H₆FNS	Molecular Weight:	167.203343 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: HWQXMSAUWJPXGJ-UHFFFAOYSA-N

• 4-Bromo-2-Fluoroaniline

IUPAC Name: 4-bromo-2-fluoroaniline | CAS Registry Number: 367-24-8
Synonyms: 4-Bromo-2-fluoroaniline, Benzenamine, 4-bromo-2-fluoro-, nchembio.2007.34-comp12, 304220_ALDRICH, ZINC00152960, EINECS 206-685-4, CID123050, B126, TL806376, ST5213767

Molecular Formula:	C₆H₅BrFN	Molecular Weight:	190.013003 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: GZRMNMGWNKSANY-UHFFFAOYSA-N

• 5-CHLORO-N-PHENYLBENZENE-1,2-DIAMINE

IUPAC Name: 4-chloro-2-N-phenylbenzene-1,2-diamine | CAS Registry Number: 68406-47-3
Synonyms: Oprea1_258582, Diphenylamine, 2-amino-5-chloro, EINECS 270-052-9, CID526554, 5-Chloro-N-phenylbenzene-1,2-diamine

Molecular Formula:	C₁₂H₁₁ClN₂	Molecular Weight:	218.682140 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: YRPYUECFYIYBGG-UHFFFAOYSA-N

• 4,6-Dichloro-5-nitro-2-propylthiopyrimidine

IUPAC Name: 4,6-dichloro-5-nitro-2-propylsulfanylpyrimidine | CAS Registry Number: 145783-14-8
Synonyms: 4,6-Dichloro-5-nitro-2-(propylthio)pyrimidine, Pyrimidine, 4,6-dichloro-5-nitro-2-(propylthio)-, ACMC-1C2R8, CTK0E9467, MolPort-003-986-439, AMX10101, ANW-45747, ZINC21298035, AKOS015900307, EX-7181, QC-1744, RP29546, AK-88589, BD227443, KB-239575, TL8001011, W3182, 61654-EP2292622A1, 61654-EP2308853A1, I14-10530

Molecular Formula:	C₇H₇Cl₂N₃O₂S	Molecular Weight:	268.120380 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: DDEDQHVHVPJFAC-UHFFFAOYSA-N

• 4,6-dichloro-2-propylthiopyrimidine-5-amine

IUPAC Name: 4,6-dichloro-2-propylsulfanylpyrimidin-5-amine | CAS Registry Number: 145783-15-9
Synonyms: 4,6-dichloro-2-(propylthio)pyrimidin-5-amine, 5-PYRIMIDINAMINE, 4,6-DICHLORO-2-(PROPYLTHIO)-, AGN-PC-0092PH, CTK8B6238, AMX10103, ANW-53050, AKOS015851287, EX-7178, PB24255, QC-1823, RP28320, AK-78904, BP-20662, KB-35732, AM20090748, FT-0686722, X4776, 4,6-DICHLORO-5-AMINO-2-PROPYLTHIOPYRIMIDINE, 4,6-DICHLORO-2-(PROPYLTHIO)-5-PYRIMIDINAMINE, 4,6-DICHLORO-2-(PROPYLSULFANYL)PYRIMIDIN-5-AMINE

Molecular Formula:	C₇H₉Cl₂N₃S	Molecular Weight:	238.137460 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: CJJLJBFJNXMANZ-UHFFFAOYSA-N

• 5-(2-Oxiranyl)-8-(phenylmethoxy)-2(1H)-quinolinone

IUPAC Name: 5-(oxiran-2-yl)-8-phenylmethoxy-1H-quinolin-2-one | CAS Registry Number: 112281-28-4
Synonyms: FT-0673354

Molecular Formula:	C₁₈H₁₅NO₃	Molecular Weight:	293.316600 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: IHJYYLJZVBVLEK-UHFFFAOYSA-N

• 4-(Trifluoromethyl)benzyl alcohol

IUPAC Name: [4-(trifluoromethyl)phenyl]methanol | CAS Registry Number: 349-95-1
Synonyms: p-Trifluoromethylbenzyl alcohol, CCRIS 5117, ghl.PD_Mitscher_leg0.197, 4-trifluoromethylbenzyl alcohol, 232025_ALDRICH, 4-(Trifluoromethyl)benzylic alcohol, EINECS 206-494-6, JRD-0098, [4-(Trifluoromethyl)phenyl]methanol, ZINC00166036, LS-188124, ST5406504, TL8002607

Molecular Formula:	C₈H₇F₃O	Molecular Weight:	176.135790 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: MOOUWXDQAUXZRG-UHFFFAOYSA-N

• 7-xylosyl-10-deacetyltaxol

Synonyms: 10-Deacetyl-7-xylosyltaxol, 7-XYLOSYL-10-DEACETYLTAXOL, 10-Deacetyltaxol 7-Xyloside, 7|A-Xylosyl-10-deacetyltaxol, 10-Deacetylpaclitaxel 7-Xyloside, 10-Deacetyl-7-xylosyl Paclitaxel

Molecular Formula:	C₅₀H₅₇NO₁₇	Molecular Weight:	943.984080 [g/mol]
H-Bond Donor:	7	H-Bond Acceptor:	17

InChIKey: ORKLEZFXASNLFJ-ADAUMUDESA-N

• 5-Chloro-2-Methyl-4-Isothiazolin-3-One (CAS: 26170-55-4)