Molecule directory
Explore structures, source datasets and saved model predictions for molecules registered in MolClass.
Search by molecule name, identifier or structure →- ZINC00157835
MolClass #23901
SKTNLXOVRHCAQS-UHFFFAOYSA-N
- ZINC32025744
MolClass #23902
VGDCTFCDOXNQQK-BKPPORCPSA-K
- ZINC31439965
MolClass #23903
JEDKXPYDLNXUPQ-WVBSTYLSSA-N
- ZINC19202599
MolClass #23904
CSGQJHQYWJLPKY-UHFFFAOYSA-L
- ZINC08952439
MolClass #23905
HKBANSQGUKULIJ-JBLDHEPKSA-N
- ZINC05015115
MolClass #23906
KSDGTGRBKWQATG-UHFFFAOYSA-N
- ZINC06031693
MolClass #23907
CALVHBWWYCZXKE-RITPCOANSA-N
- ZINC06379743
MolClass #23908
ZPOOURAYLNTBEB-DFKWEANWSA-M
- ZINC05819370
MolClass #23909
NLNHSFBYVSNFRF-BSWSSELBSA-M
- ZINC05157354
MolClass #23910
CYRZPEIALWEMOP-UHFFFAOYSA-N
- ZINC04760859
MolClass #23911
QBHFFJLGWIKTCM-DTWKUNHWSA-O
- ZINC02560409
MolClass #23912
YYWZKGZIIKPPJZ-WEDXCCLWSA-N
- HMDB00257
MolClass #23913
DHCDFWKWKRSZHF-UHFFFAOYSA-L
- ZINC16917978
MolClass #23914
GKVQKZCWVOOFCZ-KJHGZKAQSA-N
- ZINC12496315
MolClass #23915
UHYRDDLPMDYHPL-PFIRIBRZSA-N
- ZINC01721465
MolClass #23916
NNGJPVFQBGMJTQ-UHFFFAOYSA-L
- ZINC01591045
MolClass #23917
RGXMRVWAYISLTG-SCZZXKLOSA-N
- ZINC21512016
MolClass #23918
NILUFDXHRFZZGC-CQSZACIVSA-O
- ZINC31862277
MolClass #23919
SQCGCSDAPBUORZ-JCYAYHJZSA-J
- ZINC22058336
MolClass #23920
SDUQYLNIPVEERB-PIYBLCFFSA-N
- ZINC05759813
MolClass #23921
AMOCOBXCNIBDMC-LURJTMIESA-N
- ZINC21985114
MolClass #23922
DHQQLMMXRMNZRZ-KEBAROOYSA-N
- HMDB00197
MolClass #23923
- HMDB00349
MolClass #23924
SGMJBNSHAZVGMC-PWNYCUMCSA-N
- ZINC14692789
MolClass #23925
XGCUCFKWVIWWNW-HMFSXGMCSA-N
- ZINC16035855
MolClass #23926
HSAWPLMZZCZALC-HBXQRRABSA-N
- HMDB00076
MolClass #23927
OIVLITBTBDPEFK-UHFFFAOYSA-N
- HMDB00323
MolClass #23928
YCCMTCQQDULIFE-UHFFFAOYSA-N
- HMDB00079
MolClass #23929
NBAKTGXDIBVZOO-UHFFFAOYSA-N
- HMDB00475
MolClass #23930
NWCHELUCVWSRRS-UHFFFAOYSA-N
- ZINC21986162
MolClass #23931
DGYSDXLCLKPUBR-NHTDKLHPSA-N
- HMDB00019
MolClass #23932
QHKABHOOEWYVLI-UHFFFAOYSA-N
- HMDB00393
MolClass #23933
YHGNXQAFNHCBTK-OWOJBTEDSA-N
- HMDB00451
MolClass #23934
ALTAAUJNHYWOGS-UHFFFAOYSA-N
- HMDB00562
MolClass #23935
DDRJAANPRJIHGJ-UHFFFAOYSA-N
- HMDB00070
MolClass #23936
HXEACLLIILLPRG-UHFFFAOYSA-N
- HMDB00595
MolClass #23937
BVKZGUZCCUSVTD-UHFFFAOYSA-M
- HMDB00630
MolClass #23938
OPTASPLRGRRNAP-UHFFFAOYSA-N
- HMDB00375
MolClass #23939
QVWAEZJXDYOKEH-UHFFFAOYSA-N
- HMDB00640
MolClass #23940
TWNIBLMWSKIRAT-VFUOTHLCSA-N
- HMDB00555
MolClass #23941
SYEOWUNSTUDKGM-YFKPBYRVSA-L
- HMDB00663
MolClass #23942
DSLZVSRJTYRBFB-LLEIAEIESA-N
- HMDB00682
MolClass #23943
- HMDB00401
MolClass #23944
- HMDB00707
MolClass #23945
ZHLWCBHWYUISFY-UHFFFAOYSA-N
- HMDB00634
MolClass #23946
HNEGQIOMVPPMNR-IHWYPQMZSA-N
- HMDB00292
MolClass #23947
FAIAJSOSTNJZCI-UHFFFAOYSA-N
- HMDB00738
MolClass #23948
- HMDB00026
MolClass #23949
JSJWCHRYRHKBBW-UHFFFAOYSA-N
- HMDB00793
MolClass #23950
VSWSDTLXDWESGZ-AWEZNQCLSA-N
- HMDB00805
MolClass #23951
DQAKJEWZWDQURW-UHFFFAOYSA-N
- HMDB00544
MolClass #23952
XBAVGYMDOXCWQU-UHFFFAOYSA-N
- HMDB00355
MolClass #23953
IEPDKRIDROAXQP-UHFFFAOYSA-N
- HMDB00839
MolClass #23954
AJYZYPAMLMSWHG-CEVVSZFKSA-N
- HMDB00128
MolClass #23955
BPMFZUMJYQTVII-UHFFFAOYSA-N
- HMDB00725
MolClass #23956
PMMYEEVYMWASQN-DMTCNVIQSA-N
- HMDB00858
MolClass #23957
IBMRTYCHDPMBFN-UHFFFAOYSA-N
- HMDB00875
MolClass #23958
YCABHAGDPZAUBJ-UHFFFAOYSA-N
- HMDB00263
MolClass #23959
DTBNBXWJWCWCIK-UHFFFAOYSA-N
- HMDB00469
MolClass #23960
JDBGXEHEIRGOBU-UHFFFAOYSA-N
- HMDB00894
MolClass #23961
MGICTTHNDAIMFI-UHFFFAOYSA-N
- HMDB00895
MolClass #23962
OIPILFWXSMYKGL-UHFFFAOYSA-N
- HMDB00114
MolClass #23963
FRMZOWIQVCBEAC-UHFFFAOYSA-N
- HMDB00925
MolClass #23964
UYPYRKYUKCHHIB-UHFFFAOYSA-N
- HMDB00962
MolClass #23965
FCCDDURTIIUXBY-UHFFFAOYSA-N
- HMDB01009
MolClass #23966
HIOROZIUERMMRQ-UHFFFAOYSA-N
- HMDB00763
MolClass #23967
- HMDB00828
MolClass #23968
HLKXYZVTANABHZ-REOHCLBHSA-N
- HMDB01033
MolClass #23969
LSNNMFCWUKXFEE-UHFFFAOYSA-M
- HMDB01014
MolClass #23970
HEXMLHKQVUFYME-UHFFFAOYSA-N
- HMDB01061
MolClass #23971
ICIWUVCWSCSTAQ-UHFFFAOYSA-M
- HMDB01065
MolClass #23972
ULSIYEODSMZIPX-UHFFFAOYSA-N
- HMDB01080
MolClass #23973
DZQLQEYLEYWJIB-UHFFFAOYSA-N
- HMDB01084
MolClass #23974
GEJXSVNGWOSZPC-UHFFFAOYSA-N
- HMDB01091
MolClass #23975
BSRUJCFCZKMFMB-ZNYHDOEXSA-N
- HMDB01112
MolClass #23976
LXJXRIRHZLFYRP-UHFFFAOYSA-N
- HMDB00301
MolClass #23977
- HMDB01119
MolClass #23978
STZOZPPVGWNSMC-UHFFFAOYSA-N
- HMDB00854
MolClass #23979
DCGWMLJPCYQFKA-UHFFFAOYSA-N
- HMDB01182
MolClass #23980
BYUOBSUZYQAFJM-UHFFFAOYSA-N
- HMDB01184
MolClass #23981
LABTWGUMFABVFG-ONEGZZNKSA-N
- HMDB01189
MolClass #23982
WETXYFNVBDLWIW-UHFFFAOYSA-N
- HMDB00380
MolClass #23983
MMKYSUOJWFKECQ-SSTWWWIQSA-N
- HMDB01216
MolClass #23984
IDAICLIJTRXNER-UHFFFAOYSA-N
- HMDB01241
MolClass #23985
ZRHONLCTYUYMIQ-HSFFGMMNSA-N
- HMDB01253
MolClass #23986
- HMDB01264
MolClass #23987
SBJKKFFYIZUCET-DUZGATOHSA-N
- HMDB01268
MolClass #23988
GACSIVHAIFQKTC-OWOJBTEDSA-N
- HMDB00530
MolClass #23989
PYFIDTBVOMQKDC-XCYHEEQWSA-N
- HMDB01300
MolClass #23990
XZKIHKMTEMTJQX-UHFFFAOYSA-N
- HMDB01309
MolClass #23991
ICYUIIJXZHPESK-UHFFFAOYSA-N
- HMDB01318
MolClass #23992
JGEGJYXHCFUMJF-UHFFFAOYSA-N
- HMDB01330
MolClass #23993
KACPVQQHDVBVFC-OIFXTYEKSA-N
- HMDB01366
MolClass #23994
- HMDB01369
MolClass #23995
WFOFKRKDDKGRIK-UHFFFAOYSA-N
- HMDB01405
MolClass #23996
JXYLQEMXCAAMOL-UHFFFAOYSA-M
- HMDB01299
MolClass #23997
CNSJRYUMVMWNMC-RITPCOANSA-N
- HMDB01412
MolClass #23998
WBFYVDCHGVNRBH-UHFFFAOYSA-N
- HMDB01417
MolClass #23999
NPDODHDPVPPRDJ-UHFFFAOYSA-N
- HMDB00841
MolClass #24000
NHZWETQZLORZIR-OSMVPFSASA-N