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• 1'-Hydroxybufuralol

IUPAC Name: 2-(tert-butylamino)-1-[7-(1-hydroxyethyl)-1-benzofuran-2-yl]ethanol | CAS Registry Number: 57704-16-2
Synonyms: MolPort-003-847-773, Ro 037410, Ro 03-7410, (+)-isomer, Ro 03-7410, (-)-isomer, CID162836, Ro 03-7410, Ro 03-7410, (+-)-isomer, NCGC00165923-01, C039685, 2,7-Benzofurandimethanol, alpha2-(((1,1-dimethylethyl)amino)methyl)-alpha7-methyl-

Molecular Formula:	C₁₆H₂₃NO₃	Molecular Weight:	277.358720 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: GTYMTYBCXVOBBB-UHFFFAOYSA-N

• 4-(3, 4 - Dichlorophenyl) - 3, 4 - Dihydro - 1 - (2h) - Naphthalenone

IUPAC Name: 4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-one | CAS Registry Number: 124379-29-9
Synonyms: 4-(3,4-Dichlorophenyl)-1-tetralone, 79560-19-3, 4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-one, SBB063227, AG-H-19142, 4-(3,4-dichlorophenyl)-3,4-dihydro-1(2H)-naphthalenone, 79836-44-5, 4-(3,4-Dichlorophenyl)-3,4-dihydronaphthalen-1(2H)-one, 4-(3,4-Dichlorophenyl)-3,4-dihydro-1(2H)-naphtalene-1-one, ACMC-20emtd, PubChem2561, AC1MWATD, SureCN260267, SureCN7736643, KSC377A8J, 1(2H)-Naphthalenone,4-(3,4-dichlorophenyl)-3,4-dihydro-, (4S)-, CTK2H7084, MolPort-003-846-595, ANW-51359, 4-(3,4-Dichloro Phenyl)-Tetralone

Molecular Formula:	C₁₆H₁₂Cl₂O	Molecular Weight:	291.171880 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: JGMBHJNMQVKDMW-UHFFFAOYSA-N

• (S)-Oxybutynin

IUPAC Name: 4-(diethylamino)but-2-ynyl (2S)-2-cyclohexyl-2-hydroxy-2-phenylacetate | CAS Registry Number: 119618-22-3
Synonyms: oxybutynin, Esoxybutynin [INN], Lopac-O-2881, MolPort-003-849-740, CID206530, NCGC00015767-01, NCGC00015767-02, NCGC00016583-01, CAS-1508-65-2

Molecular Formula:	C₂₂H₃₁NO₃	Molecular Weight:	357.486440 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: XIQVNETUBQGFHX-JOCHJYFZSA-N

• 4-Hydroxymephenytoin

IUPAC Name: 5-ethyl-5-(4-hydroxyphenyl)-3-methylimidazolidine-2,4-dione | CAS Registry Number: 61837-65-8
Synonyms: para-Hydroxymephenytoin, UC126_SIGMA, H146_SIGMA, 4-hydroxymephenytoin, (S)-isomer, NCGC00165917-01, C025687, ()-5-Ethyl-5-(4-hydroxyphenyl)-3-methylhydantoin, 5-Ethyl-5-(4-hydroxyphenyl)-3-methyl-2,4-imidazolidinedione, ()-5-Ethyl-5-(4-hydroxyphenyl)-3-methylimididazolidine-2,4-dione, 2,4-Imidazolidinedione, 5-ethyl-5-(4-hydroxyphenyl)-3-methyl-

Molecular Formula:	C₁₂H₁₄N₂O₃	Molecular Weight:	234.251160 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: OQPLORUDZLXXPD-UHFFFAOYSA-N

• 2-(2-Bromoethyl)Benzaldehyde

IUPAC Name: 2-(2-bromoethyl)benzaldehyde | CAS Registry Number: 22901-09-3
Synonyms: 2-(2-bromoethyl)benzaldehyde, TPC-I135, CID10656207, I01-1460

Molecular Formula:	C₉H₉BrO	Molecular Weight:	213.071160 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: PHDOYZATHWYOJK-UHFFFAOYSA-N

• (4S)-3-[5-(4-Fluorophenyl)-1,5-dioxopenyl]-4-phenyl-2-oxazolidinone

IUPAC Name: 1-(4-fluorophenyl)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentane-1,5-dione | CAS Registry Number: 189028-93-1
Synonyms: 3-[5-(4-fluorophenyl)-1,5-dioxopentyl]-4-phenyl-(4S)-2-oxazolidinone, (S)-1-(4-Fluorophenyl)-5-(2-oxo-4-phenyloxazolidin-3-yl)pentane-1,5-dione, Ezetimibe Intermediate-5, SureCN1177723, Jsp003882, CTK4D9991, MolPort-005-940-270, ACT07247, AMX10118, ANW-44831, SC3731, ZINC21999755, AKOS015896147, AC-1649, AG-E-37893, RL02399, AK-23669, KB-51840, FT-0648270, ST51053181

Molecular Formula:	C₂₀H₁₈FNO₄	Molecular Weight:	355.359623 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: XXSSRSVXDNUAQX-QGZVFWFLSA-N

• (R)-Carvedilol

IUPAC Name: (2R)-1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol | CAS Registry Number: 95093-99-5
Synonyms: carvedilol, CID185394

Molecular Formula:	C₂₄H₂₆N₂O₄	Molecular Weight:	406.474240 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: OGHNVEJMJSYVRP-QGZVFWFLSA-N

• 2-(4-Amino-Phenyl)-Ethane Sulfonic Acid Methylamide

IUPAC Name: 2-(4-aminophenyl)-N-methylethanesulfonamide | CAS Registry Number: 98623-16-6
Synonyms: 4-Amino-N-methylbenzeneethanesulfonamide, AGN-PC-00MPUK, SureCN1275321, CTK8C5056, MolPort-009-197-491, ANW-73887, AKOS015920300, RP26824, AK-25288, BR-25288, KB-36561, Benzeneethanesulfonamide, 4-amino-N-methyl-, 2-(4-aminophenyl)-N-methylethanesulfonamide, FT-0648802, W9852

Molecular Formula:	C₉H₁₄N₂O₂S	Molecular Weight:	214.284660 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: SDXLSPCIRDEJKT-UHFFFAOYSA-N

• (R)-Lansoprazole

IUPAC Name: 2-[(S)-[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfinyl]-1H-benzimidazole | CAS Registry Number: 138530-94-6
Synonyms: (S)-Lansoprazole, Levolansoprazole, 138530-95-7, (-)-Lansoprazole, Levolansoprazole [INN], SureCN22366, UNII-FB55O16184, CTK8E9750, 1H-Benzimidazole, 2-[(R)-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl]-, FT-0670722, A807399, UNII-0K5C5T2QPG component MJIHNNLFOKEZEW-VWLOTQADSA-N, 2-[(S)-[[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl]-1H-benzimidazole, 2-[(S)-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole, 2-[(S)-[3-methyl-4-[2,2,2-tris(fluoranyl)ethoxy]pyridin-2-yl]methylsulfinyl]-1H-benzimidazole

Molecular Formula:	C₁₆H₁₄F₃N₃O₂S	Molecular Weight:	369.361470 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	8

InChIKey: MJIHNNLFOKEZEW-VWLOTQADSA-N

• 3-Pyrrolidineacetamide, 1-[2-(2,3-Dihydro-5-Benzofuranyl)ethyl]-a,a-Diphenyl-,(3S)-

IUPAC Name: 2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide | CAS Registry Number: 133099-04-4
Synonyms: Darifenacin, Enablex, Darifenacin (USAN/INN), STOCK6S-73577, CHEBI:391960, CID444031, DB00496, NCGC00168775-01, LS-187359, D03654, 2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]-2,2-di(phenyl)acetamide, 2-{1-[2-(2,3-Dihydro-benzofuran-5-yl)-ethyl]-pyrrolidin-3-yl}-2,2-diphenyl-acetamide (Darifenacin)

Molecular Formula:	C₂₈H₃₀N₂O₂	Molecular Weight:	426.550000 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: HXGBXQDTNZMWGS-RUZDIDTESA-N

• 4-(2'-Bromoethyl)-1,3-Dihydro-2h-Indole-2-One

IUPAC Name: 4-(2-bromoethyl)indol-2-one | CAS Registry Number: 120427-96-5
Synonyms: 4-(2-BROMOETHYL)-2-OXOINDOLE, ACMC-20a6ap, CTK0H4328, ANW-59087, ZINC64033844, AKOS016002212, MB07625, SC-19030, AX8089807

Molecular Formula:	C₁₀H₈BrNO	Molecular Weight:	238.080 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: KEFXEJHKEJPEOB-UHFFFAOYSA-N

• 2-(2,4-Difluoro Phenyl)-1-(1H-1,2,4-Triazole-1YL)-(2,3 Epoxy Propane Methane) Sulfonate

IUPAC Name: 2-[[2-(2,4-difluorophenyl)oxiran-2-yl]methyl]-1,3-dihydro-1,2,4-triazole;methanesulfonic acid | CAS Registry Number: 86386-77-8
Synonyms: CTK3E7788, AG-H-48321, A841628, 1-[2-(2,4-Difluorophenyl)-2,3-Epoxypropyl]-1H-1,2,4-Triazole Methanesulfonate;, 2-[[2-(2,4-difluorophenyl)-2-oxiranyl]methyl]-1,3-dihydro-1,2,4-triazole; methanesulfonic acid, 2-[[2-[2,4-bis(fluoranyl)phenyl]oxiran-2-yl]methyl]-1,3-dihydro-1,2,4-triazole; methanesulfonic acid

Molecular Formula:	C₁₂H₁₅F₂N₃O₄S	Molecular Weight:	335.327006 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	8

InChIKey: CUJRNWOTYDZZKL-UHFFFAOYSA-N

• 6-Hydroxychlorzoxazone

IUPAC Name: 5-chloro-6-hydroxy-3H-1,3-benzoxazol-2-one | CAS Registry Number: 1750-45-4
Synonyms: UC148_SIGMA, 5-Chloro-6-hydroxybenzoxazone, CID2734, NSC 24955, 5-Chloro-6-hydroxy-2-benzoxazolinone, NSC24955, BRN 0911674, 2(3H)-Benzoxazolone, 5-chloro-6-hydroxy-, 2-BENZOXAZOLINONE, 5-CHLORO-6-HYDROXY-, NCGC00165920-01, 5-Chloro-6-hydroxy-2(3H)-benzoxazolone, LS-42273, C039289, 2(3H)-Benzoxazolone, 5-chloro-6-hydroxy- (9CI)

Molecular Formula:	C₇H₄ClNO₃	Molecular Weight:	185.564560 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: AGLXDWOTVQZHIQ-UHFFFAOYSA-N

• (R)-Warfarin

IUPAC Name: 2-hydroxy-3-[(1R)-3-oxo-1-phenylbutyl]chromen-4-one | CAS Registry Number: 5543-58-8
Synonyms: Dextrowarfarin, (R)-()-Warfarin, R-WARFARIN, 1h9z, UC213_SIGMA, EINECS 226-908-9, ZINC00044635, NCGC00165933-01, R-()-3-Acetonybenzyl)-4-hydroxycoumarin, (R)-4-Hydroxy-3-(3-oxo-1-phenylbutyl)-2-benzopyrone, DL-3-(ALPHA-ACETONYLBENZYL)-4-HYDROXYCOUMARIN,TECH, DL-3-(alpha-ACETONYLBENZYL)-4-HYDROXY COUMARINE, PURE, (R)-4-Hydroxy-3-(3-oxo-1-phenylbutyl)-2H-1-benzopyran-2-one, R-()-4-Hydroxy-3-(3-oxo-1-phenybutyl)-2H-1-benzopyran-2-one, 2H-1-Benzopyran-2-one, 4-hydroxy-3-(3-oxo-1-phenylbutyl)-, (R)-, 81-81-2, RWF

Molecular Formula:	C₁₉H₁₆O₄	Molecular Weight:	308.327940 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: QTXVAVXCBMYBJW-OAHLLOKOSA-N

• 4-Hydroxydebrisoquine

IUPAC Name: 4-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboximidamide | CAS Registry Number: 59333-79-8
Synonyms: 4-Hydroxydebrisoquin, MolPort-000-004-116, (+/-)-4-HYDROXYDEBRISOQUIN, CID107669, NCGC00165937-01, Ro 03,7594, 4-Hydroxy-3,4-dihydro-2(1H)-isoquinolinecarboximidamide, 2(1H)-Isoquinolinecarboximidamide, 3,4-dihydro-4-hydroxy-

Molecular Formula:	C₁₀H₁₃N₃O	Molecular Weight:	191.229720 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: AKFURXZANOMQBD-UHFFFAOYSA-N

• (2s,3ar,7as)-Octahydro-Indole-2-Carboxylic Acid

IUPAC Name: (2S,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylic acid | CAS Registry Number: 145438-94-4
Synonyms: (2S,3aR,7aS)-Octahydroindole-2-carboxylic acid, (2S,3aR,7aS)-Octahydro-1H-indole-2-carboxylic acid, PubChem15854, SureCN497280, (2S,3AR,7AS)-OCTAHYDRO-INDOLE-2-CARBOXYLIC ACID, IND085, CTK8C1454, MolPort-003-849-653, ANW-66662, FD7165, AKOS006284740, AKOS015854020, AM84415, AK-29867, KB-206591, L-(2S,3aR,7aS)-Octahydroindole-2-carboxylic Acid, 1H-Indole-2-carboxylic acid, octahydro-, (2S,3aR,7aS)-, (2S,3AR,7AS)-OCTAHYDRO-1H- INDOLE-2-CARBOXYLIC ACID, [2S-(2|A,3a|A,7a|A)]-Octahydro-1H-indole-2-carboxylic Acid

Molecular Formula:	C₉H₁₅NO₂	Molecular Weight:	169.220900 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: CQYBNXGHMBNGCG-CSMHCCOUSA-N

• (Z)-Capsaicin

IUPAC Name: (Z)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide | CAS Registry Number: 25775-90-0
Synonyms: Zucapsaicin, Capsaicin, Civamide, cis-Capsaicin, Civamide (Zucapsaicin), Tocris-0462, Tocris-0463, Zucapsaicin (USAN/INN), Zucapsaicin [USAN:INN], MLS000758306, MLS001423959, UNII-15OX67P384, C18H27NO3, CHEBI:241088, TNP00277, BRN 4261852, ZINC04468952, CID1548942, (Z)-8-Methyl-N-vanillyl-6-nonenamide, NCGC00016441-01

Molecular Formula:	C₁₈H₂₇NO₃	Molecular Weight:	305.411880 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: YKPUWZUDDOIDPM-VURMDHGXSA-N

• (S)-Warfarin

IUPAC Name: 2-hydroxy-3-(3-oxo-1-phenylbutyl)chromen-4-one | CAS Registry Number: 5543-57-7
Synonyms: warfarin, Coumafene, Prothromadin, Coumadin, Coumafen, Rattentraenke, Coumefene, Panwarfin, Rodafarin, Brumolin, Kypfarin, Rattunal, Solfarin, Warfarat, Dethmor, Dethnel, Kumader, Maveran, Ratorex, Kumadu

Molecular Formula:	C₁₉H₁₆O₄	Molecular Weight:	308.327940 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: QTXVAVXCBMYBJW-UHFFFAOYSA-N

• 4-(2-Bromoethyl)-3-chloro-1,3-dihydro-2H-indol-2-one

IUPAC Name: 4-(2-bromoethyl)-3-chloro-1,3-dihydroindol-2-one | CAS Registry Number: 120427-95-4
Synonyms: 4-(2-bromoethyl)-3-chloro-1,3-dihydro-2h-indol-2-one, SureCN4623982, 4-(2-bromoethyl)-3-chloro-1,3-dihydroindol-2-one, MolPort-009-198-279, SBB070925, AKOS015900583, LS40571, RL00853, AK-32980, AB1004801, KB-186253, FT-0650160, A804503, I14-0490, 4-(2-bromoethyl)-3-chloranyl-1,3-dihydroindol-2-one, 4-(2-Bromoethyl)-3-chloro-1,3-dihydro-2H-indolin-2-one, 4-2'-Bromoethyl-3-chloro-1,3-dihydro-2-indoline-2-one, 4-(2'-Bromoethyl)-3-chloro-1,3-dihydro-2H-Indole-2-one; 4-(2-Bromoethyl)-3-chloro-1H-Indole-2(3H)-one

Molecular Formula:	C₁₀H₉BrClNO	Molecular Weight:	274.541560 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: FUHGGNYHOLHJRR-UHFFFAOYSA-N

• (-)-Jasmonic Acid

IUPAC Name: 2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid | CAS Registry Number: 6894-38-8
Synonyms: Jasmonic acid, Jasmonate, (-)-Jasmonic acid, ()-Jasmonic acid, nchembio.161-comp3, (+/-)-Jasmonic acid, bmse000525, J2500_SIGMA, CHEBI:18292, (3R,7R)-(?)-Jasmonic acid, 3-Oxo-2-(2-pentenyl)cyclopentaneacetic acid, CMC_7387, TNP00291, CMC_13965, LMFA02020001, CID5281166, NCGC00017349-01, NCGC00142527-01, LS-186703, LS-187405

Molecular Formula:	C₁₂H₁₈O₃	Molecular Weight:	210.269520 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: ZNJFBWYDHIGLCU-HWKXXFMVSA-N

• 3-(Amino methyl)-5-methyl hexanoic acid (racemic)

IUPAC Name: 3-(aminomethyl)-5-methylhexanoic acid | CAS Registry Number: 130912-52-6
Synonyms: 3-(aminomethyl)-5-methylhexanoic acid, 128013-69-4, (+/-)-Pregabalin, AG-D-58125, 3-(aminomethyl)-5-methyl-hexanoic acid, Hexanoic acid,3-(aminomethyl)-5-methyl-, Pregabalin;, NCGC00095186-01, AC1NFWUF, PubChem15652, ACMC-20p1cu, ACMC-1CF05, CHEMBL88034, CTK4B5836, MolPort-000-000-622, ANW-51583, DNC011948, FC0023, STK894330, 3-(Aminomethyl)-5-methylhexanoicacid

Molecular Formula:	C₈H₁₇NO₂	Molecular Weight:	159.226080 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: AYXYPKUFHZROOJ-UHFFFAOYSA-N

• 2-(2-(3(S)-(3-(2-(7-Chloro-2-quinolinyl)ethenyl)phenyl)- 3-hydroxypropyl)phenyl)-2-propanol

IUPAC Name: (1S)-1-[3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propan-1-ol | CAS Registry Number: 142569-70-8
Synonyms: SureCN201921, 2-(2-(3(S)-(3-(2-(7-Chloro-2-quinolinyl)ethenyl)phenyl)-3-hydroxypropyl)phenyl)-2-propanol, ANW-45479

Molecular Formula:	C₂₉H₂₈ClNO₂	Molecular Weight:	457.991120 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: ZSHIDKYITZZTLA-NDEPHWFRSA-N

• 8-Chloro-5,6-dihydro-11H-benzo[5,6]Cyclohepto[1,2-b]pyridine-11-one

IUPAC Name: 8-chloro-11-(1-methylpiperidin-4-ylidene)-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridine | CAS Registry Number: 38092-89-6
Synonyms: 8-Chloro-6,11-dihydro-11-(1-methyl-4-piperidinylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine, Methyl loratadine, PubChem20737, AC1L1MG2, SureCN4460572, CHEMBL420316, CTK6I2215, MolPort-003-987-712, ACT04866, FC1285, AKOS005216035, AG-A-92740, AC-15891, U681, KB-200307, TL8006502, FT-0671893, I14-16428, 23294-02-2, 8-CHLORO-11-(1-METHYL-PIPERIDIN-4-YLIDENE)-6,11-DIHYDRO-[5H]-BENZO[5,6]-CYCLOHEPTA-[1,2-B]-PYRIDINE

Molecular Formula:	C₂₀H₂₁ClN₂	Molecular Weight:	324.847140 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: VLXSCTINYKDTKR-UHFFFAOYSA-N

• 5'-Hydroxyomeprazole

IUPAC Name: [4-methoxy-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-5-methylpyridin-3-yl]methanol | CAS Registry Number: 92340-57-3
Synonyms: Hydroxyomeprazole, 5-Hydroxymethylomeprazole, MolPort-003-847-971, CID119560, 4-Methoxy-6-(((5-methoxy-1H-benzimidazol-2-yl)sulfinyl)methyl)-5-methyl-3-pyridinemethanol, 3-Pyridinemethanol, 4-methoxy-6-(((5-methoxy-1H-benzimidazol-2-yl)sulfinyl)methyl)-5-methyl-, 5-Methoxy-2-(((4-methoxy-3-methyl-5-hydroxymethyl-2-pyridinyl)methyl)sulfinyl)-1H-benzimidazole

Molecular Formula:	C₁₇H₁₉N₃O₄S	Molecular Weight:	361.415460 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: CMZHQFXXAAIBKE-UHFFFAOYSA-N

• 6,7-Dimethoxy-1-Veratrylisoquinoline

IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline | CAS Registry Number: 58-74-2
Synonyms: papaverine, Papaverin, Papanerine, Robaxapap, Papanerin, Pavabid, Cerespan, Ceraspan, Pavacot, Pavatym, Papaverine Hcl, Papaverina [Italian], Papaverine [BAN], Papaverinium chloride, Papavarine chlorhydrate, Papaverine chlorohydrate, Spectrum_000071, Prestwick0_000583, Prestwick1_000583, Prestwick2_000583

Molecular Formula:	C₂₀H₂₁NO₄	Molecular Weight:	339.385040 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: XQYZDYMELSJDRZ-UHFFFAOYSA-N

• (S)-(+)-2-Chlorophenylglycine methyl ester hydrochloride

IUPAC Name: methyl (2S)-2-amino-2-(2-chlorophenyl)acetate | CAS Registry Number: 141109-14-0
Synonyms: (S)-(+)-2-Chlorophenylglycine methyl ester, PubChem6252, SureCN5101666, AC-255, ZINC21983015, (S)-2-chlorophenylglycine methyl ester, AM84375, RP25728, AK-45098, KB-04966, L-(+)-2-Chlorophenylglycine methyl ester, FT-0082987, FT-0643322, (S)-Methyl 2-amino-2-(2-chlorophenyl)acetate, S01-0713

Molecular Formula:	C₉H₁₀ClNO₂	Molecular Weight:	199.634200 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: UTWOZNRDJNWTPS-QMMMGPOBSA-N

• 4-Chloro-5-Fluoro-6-(1-Bromoethyl) -Pyrimidine

IUPAC Name: 4-(1-bromoethyl)-6-chloro-5-fluoropyrimidine | CAS Registry Number: 188416-28-6
Synonyms: 6-(1-Bromoethyl)-4-chloro-5-fluoropyrimidine, 4-(1-bromoethyl)-6-chloro-5-fluoropyrimidine, 4-chloro-5-fluoro-6-(1-bromoethyl)-pyrimidine, AG-E-37255, PubChem10718, CTK0H1370, MolPort-009-019-707, ANW-46003, SBB070854, AKOS015892507, AM84648, LS20841, QC-5652, RP28384, RP28385, AK-59613, HC210265, KB-80248, FT-0651931, V2357

Molecular Formula:	C₆H₅BrClFN₂	Molecular Weight:	239.472703 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: AAESVRBYUDTWKH-UHFFFAOYSA-N

• (S)-Carvedilol

IUPAC Name: (2S)-1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol | CAS Registry Number: 95094-00-1
Synonyms: carvedilol, CID185395

Molecular Formula:	C₂₄H₂₆N₂O₄	Molecular Weight:	406.474240 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: OGHNVEJMJSYVRP-KRWDZBQOSA-N

• (+)-N,O-Di-Desmethyl Tramadol

IUPAC Name: 3-[(1R,2R)-1-hydroxy-2-(methylaminomethyl)cyclohexyl]phenol | CAS Registry Number: 144830-18-2
Synonyms: 138853-73-3, Di-N,O-demethyltramadol, SureCN13950721, rac N,O-Didesmethyl Tramadol, (+)-N,O-Didesmethyl Tramadol, CTK8E8492, (+/-)-N,O-Di-Desmethyl Tramadol, FT-0666700, FT-0666703, (1R-cis)-3-[1-Hydroxy-2-[(methylamino)methyl]cyclohexyl]-phenol, 3-[(1R,2R)-1-Hydroxy-2-[(methylamino)methyl]cyclohexyl]-phenol, cis-(+/-)-3-[1-Hydroxy-2-[(methylamino)methyl]cyclohexyl]phenol, Phenol, 3-[(1R,2R)-1-hydroxy-2-[(methylamino)methyl]cyclohexyl]-, rel-3-[(1R,2R)-1-Hydroxy-2-[(methylamino)methyl]cyclohexyl]phenol, Phenol, 3-[1-hydroxy-2-[(methylamino)methyl]cyclohexyl]-, (1R-cis)-

Molecular Formula:	C₁₄H₂₁NO₂	Molecular Weight:	235.322040 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: CJXNQQLTDXASSR-OCCSQVGLSA-N

• 2-[4-[4-[4-(hydroxydiphenylmethyl)-1-Piperidinyl]-1-Oxobutyl]phenyl]-2,2-Dimethylacetic Acid Methyl Ester

IUPAC Name: methyl 2-[4-[4-[4-[(4-hydroxyphenyl)-phenylmethyl]piperidin-1-yl]oxybutyl]phenyl]-2-methylpropanoate | CAS Registry Number: 154477-55-1
Synonyms: Methyl 2-(4-(4-((4-((4-hydroxyphenyl)(phenyl)methyl)piperidin-1-yl)oxy)butyl)phenyl)-2-methylpropanoate, CTK8B8441, ANW-60373, AKOS016003302, AK101235, KB-255058

Molecular Formula:	C₃₃H₄₁NO₄	Molecular Weight:	515.682940 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: UETFAILCJZLHOM-UHFFFAOYSA-N

• 4-Hydroxytamoxifen

IUPAC Name: 4-[(Z)-1-[4-(2-dimethylaminoethyloxy)phenyl]-1-phenylbut-1-en-2-yl]phenol | CAS Registry Number: 68047-06-3
Synonyms: 4-Hydroxy-tamoxifen, trans-Hydroxytamoxifen, 4-OHT, 4-HT, CHEBI:106341, MolPort-003-848-079, NCGC00091028-01, CID5284643, 4-{2-[4-(2-dimethylaminoethoxy)phenyl]-1-ethyl-2-phenylvinyl}phenol, 4-(1-{[4-(2-Dimethylamino-ethoxy)-phenyl]-phenyl-methylene}-propyl)-phenol, 4-{(1Z)-1-[{4-[2-(dimethylamino)ethoxy]phenyl}(phenyl)methylene]propyl}phenol, 4-{1-[1-[4-(2-Dimethylamino-ethoxy)-phenyl]-1-phenyl-meth-(Z)-ylidene]-propyl}-phenol, TOT

Molecular Formula:	C₂₆H₂₉NO₂	Molecular Weight:	387.513960 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: DODQJNMQWMSYGS-QPLCGJKRSA-N

• 4,5,6,7-Tetrahydro-[3,2,-c]Thieno Pyridine

IUPAC Name: 4,5,6,7-tetrahydrothieno[3,2-c]pyridine | CAS Registry Number: 54903-50-3
Synonyms: EINECS 259-389-2, 4,5,6,7-Tetrahydrothieno[3,2-c]pyridine, AS0127, CID3085076, 4,5,6,7-Tetrahydrothieno(3,2-c)pyridine, TL8003594

Molecular Formula:	C₇H₉NS	Molecular Weight:	139.218060 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: OGUWOLDNYOTRBO-UHFFFAOYSA-N

• (+)-Tramadol hydrochloride

IUPAC Name: (1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol;hydrochloride | CAS Registry Number: 148229-78-1
Synonyms: tramadol hydrochloride, Bellatram, Contramal, Omnidol, Zumatran, Radol, Tadol, Tramadol HCl, Tramagetic, Tradonal, Tramadex, Tramazac, Dolana, Mabron, Trabar, Tramed, Tramol, Tridol, Tradol-Puren, cis-Tramadol hydrochloride

Molecular Formula:	C₁₆H₂₆ClNO₂	Molecular Weight:	299.836140 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: PPKXEPBICJTCRU-XMZRARIVSA-N

• (3R,5S,6E)-7-[3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-3,5-dihydroxy-6-heptenoic acid

IUPAC Name: sodium;(E,3R,5S)-7-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoate | CAS Registry Number: 155229-75-7
Synonyms: FLUVASTATIN SODIUM, Lescol, Fluvastatin (sodium), 93957-55-2, Fluvastatin sodium salt, Sri-62320, Canef, Fractal, Lipaxan, Vastin, Locol, CHEBI:77602, KS-1062, Lescol XL, XU 62-320, XU-62-320, C24H25FNNaO4, DSSTox_CID_24758, DSSTox_RID_80451, DSSTox_GSID_44758

Molecular Formula:	C₂₄H₂₅FNNaO₄	Molecular Weight:	433.455 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: ZGGHKIMDNBDHJB-NRFPMOEYSA-M

• 4-Hydrazino-N-methylbenzeneethanesulfonamide hydrochloride

IUPAC Name: 2-(4-hydrazinylphenyl)-N-methylethanesulfonamide;hydrochloride | CAS Registry Number: 42381-27-1
Synonyms: 2-(4-Hydrazinylphenyl)-N-methylethanesulfonamide hydrochloride, PubChem10110, SureCN2869306, CTK8B6225, ANW-53019, AKOS015999778, AK-94066, KB-192617, 4-Hydrazinyl-N-methylbenzeneethanesulfonamide Hydrochloride, p-[|A-(Methylsulfonamido)ethyl]phenylhydrazine Hydrochloride

Molecular Formula:	C₉H₁₆ClN₃O₂S	Molecular Weight:	265.760240 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	5

InChIKey: FBEZCMODXDNUHH-UHFFFAOYSA-N

• 4'-Hydroxy diclofenac

IUPAC Name: 2-[2-(2,6-dichloro-4-hydroxyanilino)phenyl]acetic acid | CAS Registry Number: 64118-84-9
Synonyms: 4'-Hydroxydiclofenac, 4′-OHD, 4'-Hydroxy Diclofenac, 4'-HYDROXY-DICLOFENAC, H3661_SIGMA, Diclofenac, 4′-Hydroxy-, CHEBI:223192, MolPort-003-847-739, BRN 4198042, CID116545, IN1359, LS-11596, (o-(2,6-Dichloro-4-hydroxyanilino)phenyl)acetic acid, C108036, Acetic acid, (o-(2,6-dichloro-4-hydroxyanilino)phenyl)-, Benzeneacetic acid, 2-((2,6-dichloro-4-hydroxyphenyl)amino)-, [2-(2,6-Dichloro-4-hydroxy-phenylamino)-phenyl]-acetic acid, 2-[((2′,6′-Dichloro-4′-hydroxy)phenyl)amino]benzeneacetic Acid

Molecular Formula:	C₁₄H₁₁Cl₂NO₃	Molecular Weight:	312.148040 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: KGVXVPRLBMWZLG-UHFFFAOYSA-N