Molecule directory
Explore structures, source datasets and saved model predictions for molecules registered in MolClass.
Search by molecule name, identifier or structure →- Arbutin
MolClass #2001
BJRNKVDFDLYUGJ-RMPHRYRLSA-N
- Oxybenzone
MolClass #2002
DXGLGDHPHMLXJC-UHFFFAOYSA-N
- Oxyphenbutazone
MolClass #2003
HFHZKZSRXITVMK-UHFFFAOYSA-N
- Pancuronium bromide
MolClass #2004
GVEAYVLWDAFXET-XGHATYIMSA-N
- Parbendazole
MolClass #2005
- Penbutolol sulfate
MolClass #2006
KQXKVJAGOJTNJS-UHFFFAOYSA-N
- Phensuximide
MolClass #2007
WLWFNJKHKGIJNW-UHFFFAOYSA-N
- Hecogenin
MolClass #2008
QOLRLLFJMZLYQJ-LOBDNJQFSA-N
- Piperidolate hydrochloride
MolClass #2009
KTHVBAZBLKXIHZ-UHFFFAOYSA-N
- Pivampicillin
MolClass #2010
ZEMIJUDPLILVNQ-ZXFNITATSA-N
- Pivmecillinam hydrochloride
MolClass #2011
NPGNOVNWUSPMDP-UTEPHESZSA-N
- Pizotifen malate
MolClass #2012
FIADGNVRKBPQEU-UHFFFAOYSA-N
- Pralidoxime chloride
MolClass #2013
JBKPUQTUERUYQE-UHFFFAOYSA-O
- Prednicarbate
MolClass #2014
FNPXMHRZILFCKX-KAJVQRHHSA-N
- Procarbazine hydrochloride
MolClass #2015
CPTBDICYNRMXFX-UHFFFAOYSA-N
- Proguanil hydrochloride
MolClass #2016
SSOLNOMRVKKSON-UHFFFAOYSA-N
- Proparacaine hydrochloride
MolClass #2017
KCLANYCVBBTKTO-UHFFFAOYSA-N
- Propoxycaine hydrochloride
MolClass #2018
CAJIGINSTLKQMM-UHFFFAOYSA-N
- Quinethazone
MolClass #2019
AGMMTXLNIQSRCG-UHFFFAOYSA-N
- Quinic acid
MolClass #2020
AAWZDTNXLSGCEK-DRMQKGJZSA-N
- Repaglinide
MolClass #2021
FAEKWTJYAYMJKF-QHCPKHFHSA-N
- Ribavirin
MolClass #2022
IWUCXVSUMQZMFG-AFCXAGJDSA-N
- Rifabutin
MolClass #2023
KTYFUEQGJABZDI-WMVXQBDXSA-N
- Rimexolone
MolClass #2024
QTTRZHGPGKRAFB-OOKHYKNYSA-N
- Roxarsone
MolClass #2025
XMVJITFPVVRMHC-UHFFFAOYSA-N
- Sertaconazole nitrate
MolClass #2026
JLGKQTAYUIMGRK-UHFFFAOYSA-N
- Sulfadoxine
MolClass #2027
PJSFRIWCGOHTNF-UHFFFAOYSA-N
- Talampicillin hydrochloride
MolClass #2028
SOROUYSPFADXSN-SUWVAFIASA-N
- Ticarcillin sodium
MolClass #2029
OHKOGUYZJXTSFX-IRHHVTTKSA-L
- Tocainide hydrochloride
MolClass #2030
BUJAGSGYPOAWEI-UHFFFAOYSA-N
- Torsemide
MolClass #2031
NGBFQHCMQULJNZ-UHFFFAOYSA-N
- Trapidil
MolClass #2032
GSNOZLZNQMLSKJ-UHFFFAOYSA-N
- Tribenoside
MolClass #2033
ULLNJSBQMBKOJH-VIVFLBMVSA-N
- Tridihexethyl chloride
MolClass #2034
NPRHVSBSZMAEIN-UHFFFAOYSA-N
- Trifluridine
MolClass #2035
VSQQQLOSPVPRAZ-GFCOJPQKSA-N
- Verteporfin
MolClass #2036
YATYQCFMNHZLNW-KDZSDNBYSA-N
- Zalcitabine
MolClass #2037
WREGKURFCTUGRC-POYBYMJQSA-N
- Mesoridazine besylate
MolClass #2038
SLVMESMUVMCQIY-UHFFFAOYSA-N
- (-)-MK 801 hydrogen maleate
MolClass #2039
LBOJYSIDWZQNJS-JKSUJKDBSA-N
- Nitrocaramiphen hydrochloride
MolClass #2040
NSHMVLOWOAQFTP-UHFFFAOYSA-N
- Ozagrel hydrochloride
MolClass #2041
SHZKQBHERIJWAO-AATRIKPKSA-N
- Pirlindole mesylate
MolClass #2042
IWVRVEIKCBFZNF-UHFFFAOYSA-N
- Pronethalol hydrochloride
MolClass #2043
HRSANNODOVBCST-UHFFFAOYSA-N
- Tyloxapol
MolClass #2044
ZLWMZCWKIALKPX-UHFFFAOYSA-N
- N-Acetyl-DL-homocysteine Thiolactone
MolClass #2045
NRFJZTXWLKPZAV-UHFFFAOYSA-N
- Allantoin
MolClass #2046
POJWUDADGALRAB-UHFFFAOYSA-N
- Paroxetine Hydrochloride
MolClass #2047
AHOUBRCZNHFOSL-YOEHRIQHSA-N
- Thiethylperazine malate
MolClass #2048
XCTYLCDETUVOIP-UHFFFAOYSA-N
- Zuclopenthixol hydrochloride
MolClass #2049
WFPIAZLQTJBIFN-DVZOWYKESA-N
- Terconazole
MolClass #2050
BLSQLHNBWJLIBQ-OZXSUGGESA-N
- Methotrimeprazine maleat salt
MolClass #2051
VRQVVMDWGGWHTJ-CQSZACIVSA-N
- Chlorprothixene hydrochloride
MolClass #2052
WSPOMRSOLSGNFJ-VGOFMYFVSA-N
- Solasodine
MolClass #2053
KWVISVAMQJWJSZ-VKROHFNGSA-N
- Simvastatin
MolClass #2054
RYMZZMVNJRMUDD-HGQWONQESA-N
- Tomatidine
MolClass #2055
XYNPYHXGMWJBLV-VXPJTDKGSA-N
- Pyrvinium pamoate
MolClass #2056
QMHSXPLYMTVAMK-UHFFFAOYSA-N
- Lovastatin
MolClass #2057
PCZOHLXUXFIOCF-BXMDZJJMSA-N
- Piperacetazine
MolClass #2058
BTFMCMVEUCGQDX-UHFFFAOYSA-N
- Trimeprazine tartrate
MolClass #2059
ZZHLYYDVIOPZBE-UHFFFAOYSA-N
- Thioproperazine dimesylate
MolClass #2060
VZYCZNZBPPHOFY-UHFFFAOYSA-N
- Astemizole
MolClass #2061
GXDALQBWZGODGZ-UHFFFAOYSA-N
- Acetopromazine maleate salt
MolClass #2062
NOSIYYJFMPDDSA-UHFFFAOYSA-N
- ETHISTERONE
MolClass #2063
CHNXZKVNWQUJIB-UHFFFAOYSA-N
- HEXACHLOROPHENE
MolClass #2064
ACGUYXCXAPNIKK-UHFFFAOYSA-N
- 2',beta-DIHYDROXYCHALCONE
MolClass #2065
AOJIJXJCNKMEET-UHFFFAOYSA-N
- DANTRON
MolClass #2066
QBPFLULOKWLNNW-UHFFFAOYSA-N
- ROTENONIC ACID, METHYL ETHER
MolClass #2067
QADCCYSYLNTZHV-FCHUYYIVSA-N
- 2-METHOXYXANTHONE
MolClass #2068
DVZCOQQFPCMIPO-UHFFFAOYSA-N
- ESTRADIOL VALERATE
MolClass #2069
RSEPBGGWRJCQGY-ZZSVNSIZSA-N
- MEGESTROL ACETATE
MolClass #2070
RQZAXGRLVPAYTJ-VSUSFZLSSA-N
- CETYLPYRIDINIUM CHLORIDE
MolClass #2071
NEUSVAOJNUQRTM-UHFFFAOYSA-N
- PINOSYLVIN METHYL ETHER
MolClass #2072
JVIXPWIEOVZVJC-UHFFFAOYSA-N
- GENTIAN VIOLET
MolClass #2073
LGLFFNDHMLKUMI-UHFFFAOYSA-N
- ATOVAQUONE
MolClass #2074
KUCQYCKVKVOKAY-CTYIDZIISA-N
- BENZALKONIUM CHLORIDE
MolClass #2075
VVZBFOKBSDGVGZ-UHFFFAOYSA-N
- SIB 1893
MolClass #2076
SISOFUCTXZKSOQ-UHFFFAOYSA-N
- 8,2'-DIMETHOXYFLAVONE
MolClass #2077
ZLUNDKGGMHFJPK-UHFFFAOYSA-N
- FLAVOKAWAIN B
MolClass #2078
QKQLSQLKXBHUSO-UHFFFAOYSA-N
- GITOXIN
MolClass #2079
LKRDZKPBAOKJBT-CSHJDMCESA-N
- 5-allyl-2-(4-nitrophenyl)pyridine
MolClass #2080
ZUFVXXBLPOBZFU-UHFFFAOYSA-N
- BIOCHANIN A
MolClass #2081
WUADCCWRTIWANL-UHFFFAOYSA-N
- 4'-METHOXYCHALCONE
MolClass #2082
KJHHAPASNNVTSN-UHFFFAOYSA-N
- DEHYDROROTENONE
MolClass #2083
GFERNZCCTZEIET-UHFFFAOYSA-N
- 1-[1,1'-biphenyl]-4-ylpropan-1-one
MolClass #2084
JMBGDQSXJHLFTO-UHFFFAOYSA-N
- 4-acetyl biphenyl
MolClass #2085
QCZZSANNLWPGEA-UHFFFAOYSA-N
- SB-366791
MolClass #2086
LYIXDMRSDTZYCF-UHFFFAOYSA-N
- GENKWANIN
MolClass #2087
JPMYFOBNRRGFNO-UHFFFAOYSA-N
- 3,8-DIMETHOXYFLAVONE
MolClass #2088
XBCNMKREIWPKPG-UHFFFAOYSA-N
- DEHYDROVARIABILIN
MolClass #2089
FLEXCYTURSFUNC-UHFFFAOYSA-N
- methyl 5-(4-chlorophenyl)thiophene-2-carboxylate
MolClass #2090
JZCUTYCKIFLPKV-UHFFFAOYSA-N
- METHOXYVONE
MolClass #2091
JETSDIPTVSZMLI-UHFFFAOYSA-N
- 4'-METHOXYFLAVONE
MolClass #2092
OMICQBVLCVRFGN-UHFFFAOYSA-N
- 7-chloro-4-(4-chlorophenoxy)quinoline
MolClass #2093
LKWRVKBGOKWUQH-UHFFFAOYSA-N
- (3-chloro-4-fluorophenyl)(4-methoxybenzyl)amine
MolClass #2094
SGDAKGSEFFKMHD-UHFFFAOYSA-N
- Nocodazole
MolClass #2095
- Nemadipine-A
MolClass #2096
QABNLWXKUCMDBP-UHFFFAOYSA-N
- Analog 6
MolClass #2097
RRLSXWOPNTVBKD-UHFFFAOYSA-N
- Analog 1
MolClass #2098
VQZSDRXKLXBRHJ-UHFFFAOYSA-N
- 2,4,5-TRICHLOROPHENOXYACETIC ACID, METHYL ESTER
MolClass #2099
JUCNGUOYQGHBJC-UHFFFAOYSA-N
- .
MolClass #2100
XRVLGJCHUWXTDX-UHFFFAOYSA-N