Molecule directory
Explore structures, source datasets and saved model predictions for molecules registered in MolClass.
Search by molecule name, identifier or structure →- JA 00113
MolClass #81008
MRZBAUSQFYWHHC-QOBMTOCASA-N
- JA 00132
MolClass #81009
TYXFBKRRSUTTPT-MUIYJVFTSA-N
- JFD 00692
MolClass #81010
DHDHJYNTEFLIHY-UHFFFAOYSA-N
- JFD 00883
MolClass #81011
ROKWUVQDWFGBBM-UHFFFAOYSA-N
- JFD 00912
MolClass #81012
QPTXRNYONDDBEL-UHFFFAOYSA-N
- JFD 00953
MolClass #81013
ASUKXNKOOZOQAY-UHFFFAOYSA-N
- JFD 00957
MolClass #81014
PTNMCDAUXNBBDQ-UHFFFAOYSA-N
- JFD 01196
MolClass #81015
VFDRIASCAHVXHE-UHFFFAOYSA-N
- JFD 01251
MolClass #81016
- JFD 01372
MolClass #81017
- JFD 01634
MolClass #81018
JWTADZHLOIUOKR-UHFFFAOYSA-N
- JFD 01743
MolClass #81019
BYLLXMCWSKPEOZ-UHFFFAOYSA-N
- JFD 01936
MolClass #81020
HBBODWBSVPENGZ-UHFFFAOYSA-N
- JFD 01938
MolClass #81021
QYMZILLOGDHSFB-UHFFFAOYSA-N
- JFD 02182
MolClass #81022
CBEICMHIWVMVQX-UHFFFAOYSA-N
- JFD 02452
MolClass #81023
IRFGOAXIDQRBIK-OPXTWKRWSA-N
- JFD 02470
MolClass #81024
WVZJJFORJMBAGQ-UHFFFAOYSA-N
- JFD 02551
MolClass #81025
IAIGHDCQMCAMFK-LQKURTRISA-N
- JFD 02817
MolClass #81026
UULZPBBOKXZYIH-UHFFFAOYSA-N
- JFD 02849
MolClass #81027
GNWRWOJMBZGNPL-UHFFFAOYSA-N
- JFD 02972
MolClass #81028
PNHFCVLKJMHHPH-UHFFFAOYSA-N
- JFD 03184
MolClass #81029
CRPGDSHQWRWYFO-UHFFFAOYSA-N
- JFD 03552
MolClass #81030
TUTOBFTYNPYTLB-UHFFFAOYSA-N
- JFD 03977
MolClass #81031
XIBVZDQNZWSPDV-UHFFFAOYSA-N
- JP 00898
MolClass #81032
LMBYKDKBPJPVDB-UHFFFAOYSA-N
- KM 00382
MolClass #81033
CYHGOYMEJWLZAA-LFIBNONCSA-N
- KM 00407
MolClass #81034
- KM 00454
MolClass #81035
- KM 00526
MolClass #81036
- KM 00753
MolClass #81037
PHMCRNJUXVLLHB-UHFFFAOYSA-N
- KM 00853
MolClass #81038
FJYSUGVEOXARQE-UHFFFAOYSA-N
- KM 01526
MolClass #81039
MZWKERYRKDTVNP-UHFFFAOYSA-N
- KM 01530
MolClass #81040
QGACYYOTWTYPQG-UHFFFAOYSA-N
- KM 01661
MolClass #81041
DKIBSEGHXGZAFC-UHFFFAOYSA-N
- KM 01746
MolClass #81042
UGMFXFADDWBCHD-JLHYYAGUSA-N
- KM 02351
MolClass #81043
QQWGCVIJPCVEGW-UHFFFAOYSA-N
- KM 02410
MolClass #81044
RWVLQJHPQWGDTC-UHFFFAOYSA-N
- KM 02439
MolClass #81045
BCTXXPFJTYXRLF-UHFFFAOYSA-N
- KM 03072
MolClass #81046
OLMLDCGTAZXZHZ-UHFFFAOYSA-N
- KM 03205
MolClass #81047
LKZLGMAAKNEGCH-UHFFFAOYSA-N
- KM 03216
MolClass #81048
- KM 03376
MolClass #81049
GIFAZRRZQXFAEN-BQYQJAHWSA-N
- KM 03609
MolClass #81050
PXJXJOFXDLZORR-UHFFFAOYSA-N
- KM 03631
MolClass #81051
HHIOQMNISFTYFQ-UHFFFAOYSA-N
- KM 03789
MolClass #81052
OBDOIKIPBWAGKH-UHFFFAOYSA-N
- KM 04193
MolClass #81053
- KM 04515
MolClass #81054
MAJXOWGIMMJIBT-UHFFFAOYSA-N
- KM 04550
MolClass #81055
FLVXYAGCEOJNQC-UHFFFAOYSA-N
- KM 04778
MolClass #81056
JSIQRJQKMVTGJN-UHFFFAOYSA-N
- KM 04926
MolClass #81057
WITCZOBDTIBNAK-UHFFFAOYSA-N
- KM 05150
MolClass #81058
BPOXUTDJFJFFAU-UHFFFAOYSA-N
- KM 05261
MolClass #81059
INVWKEDTYVGMLC-SFQUDFHCSA-N
- KM 05478
MolClass #81060
LNEYOYHIGZKWKQ-UHFFFAOYSA-N
- KM 05483
MolClass #81061
RQGCKYCFUXUGEQ-UHFFFAOYSA-N
- KM 05576
MolClass #81062
ODFZMYDMRMKHAT-UHFFFAOYSA-N
- KM 06044
MolClass #81063
- KM 06239
MolClass #81064
IYVYQVAKRTWYDI-UHFFFAOYSA-N
- KM 06563
MolClass #81065
CQGRWXHGAHWOFI-UHFFFAOYSA-N
- KM 06604
MolClass #81066
DBJVHXMZWZXVPI-UHFFFAOYSA-N
- KM 06815
MolClass #81067
SQAVTBVSLRAJAT-UHFFFAOYSA-N
- KM 06822
MolClass #81068
RYXAMQTVUXZYLO-UHFFFAOYSA-N
- KM 06835
MolClass #81069
NOHCHUOPLDKMBL-UHFFFAOYSA-N
- KM 06837
MolClass #81070
ZJIWLIYXWOPEDX-UHFFFAOYSA-N
- KM 06838
MolClass #81071
RWTVQJMHWQOGAT-UHFFFAOYSA-N
- KM 06867
MolClass #81072
BCMNDLFXHIDWAI-UHFFFAOYSA-N
- KM 06891
MolClass #81073
UTMJCUYUAFTLCK-UHFFFAOYSA-N
- KM 06894
MolClass #81074
QFACRQWWXLFAJA-UHFFFAOYSA-N
- KM 06897
MolClass #81075
HNJMZUUXTXXQLK-UHFFFAOYSA-N
- KM 06900
MolClass #81076
RUCMHTDFRRAIHZ-UHFFFAOYSA-N
- KM 06990
MolClass #81077
XYVIOCKXWGYIKE-UHFFFAOYSA-N
- KM 06991
MolClass #81078
GKGLVDIPXSTQMS-UHFFFAOYSA-N
- KM 07079
MolClass #81079
ANLCNFJWTRRZMU-UHFFFAOYSA-N
- KM 07547
MolClass #81080
DPYSVOLPHFJOPX-UHFFFAOYSA-N
- KM 07750
MolClass #81081
PNAZRJBPDRHYOI-UHFFFAOYSA-N
- KM 07811
MolClass #81082
GMDJDFLNOMSMDP-UHFFFAOYSA-N
- KM 07870
MolClass #81083
BMHPNTLYWVTVEB-UHFFFAOYSA-N
- KM 08002
MolClass #81084
FVPNWOBSJQXXKN-UHFFFAOYSA-N
- KM 08021
MolClass #81085
RLXVMPDDJGBAQN-UHFFFAOYSA-N
- KM 08024
MolClass #81086
OMFFAGNHACULDU-UHFFFAOYSA-N
- KM 08043
MolClass #81087
JTHFDGCUCRYFBZ-UHFFFAOYSA-N
- KM 08047
MolClass #81088
- KM 08486
MolClass #81089
- KM 08645
MolClass #81090
ULBHXMFISJZQGM-PCLIKHOPSA-N
- KM 08829
MolClass #81091
CJWDPWYLYZVGBL-UHFFFAOYSA-N
- KM 08832
MolClass #81092
WCOADNSFDMGVHH-UHFFFAOYSA-N
- KM 08839
MolClass #81093
UQYCAFFUZPEUAV-UHFFFAOYSA-N
- KM 08844
MolClass #81094
XCHWNTBTPUAJKD-UHFFFAOYSA-N
- KM 08872
MolClass #81095
BRJKTTMKPRJCSY-UHFFFAOYSA-N
- KM 09080
MolClass #81096
IXMQSJMHAYPXSV-GXDHUFHOSA-N
- KM 09453
MolClass #81097
XYSUXDHBVJYLBD-UHFFFAOYSA-N
- KM 10129
MolClass #81098
CDWXGJNNZJGLPE-UHFFFAOYSA-N
- KM 10430
MolClass #81099
QPHBLSKOPBFUSS-UHFFFAOYSA-N
- ML 00267
MolClass #81100
FJOVOJOMPBZIEX-CAOOACKPSA-N
- ML 00449
MolClass #81101
YHXFYJCGJFUPBR-UHFFFAOYSA-N
- MWP 00246
MolClass #81102
FQTZJZPCOAFEEH-UHFFFAOYSA-N
- MWP 00248
MolClass #81103
SLVQKVJAGVGRHH-UHFFFAOYSA-N
- MWP 00553
MolClass #81104
ODVYQLYXNNQPQE-NTEUORMPSA-N
- MWP 00582
MolClass #81105
AYSWNBSFCMADOL-UHFFFAOYSA-N
- MWP 00584
MolClass #81106
HPXIHNXSHTXCBX-UHFFFAOYSA-N
- MWP 00605
MolClass #81107
BVBDTTLISMIOJY-UHFFFAOYSA-N