Molecule directory
Explore structures, source datasets and saved model predictions for molecules registered in MolClass.
Search by molecule name, identifier or structure →- BTB 02227
MolClass #53587
OGIOMNBTFYEIKM-UHFFFAOYSA-N
- CD 03704
MolClass #53598
KXPUAZODBMOVCC-UHFFFAOYSA-N
- S 03980
MolClass #53645
OENCJIAWGLCCKK-UHFFFAOYSA-N
- SEW 03567
MolClass #53653
ZOOLZPGXPZVKAB-QINSGFPZSA-N
- BTB 05562
MolClass #53668
DJVLXJACVCBSDA-XFGNKMNKSA-N
- KM 11080
MolClass #53774
VSMYSOUPRUUSEK-UHFFFAOYSA-N
- S 14119
MolClass #53793
JXSYYURINMMYGR-UHFFFAOYSA-N
- BTBG 00025
MolClass #53824
YZJGSPYDFGGEIF-FBMGVBCBSA-N
- JFD 03665
MolClass #53849
RYLFERIMAZCADF-NTEUORMPSA-N
- RF 01744
MolClass #53865
NRKQAHRYKBNLTO-UHFFFAOYSA-N
- S 04111
MolClass #53874
FOGSUFVHERDFDM-UHFFFAOYSA-N
- BTB 09198
MolClass #53901
CPAOHVDOZQQCJC-UHFFFAOYSA-N
- BTBT 00050
MolClass #53905
CJHSOCYXEPXZJP-GHXNOFRVSA-N
- S 14801
MolClass #53955
MSDHJAWQEZOXGV-ZHACJKMWSA-N
- HTS 02734
MolClass #53997
QWPLBCJMQLJGDR-UHFFFAOYSA-N
- HTS 06986
MolClass #54001
HVJZTEOCIVDJJN-UHFFFAOYSA-N
- MWP 00441
MolClass #54013
BJQCOSOGDUNTLD-UHFFFAOYSA-N
- NH 00081
MolClass #54015
ADGUKACHEIUMKQ-UHFFFAOYSA-N
- GK 01387
MolClass #54147
PVVOIYZYJNXBEQ-UHFFFAOYSA-N
- S 10015
MolClass #54179
LMSZTOUHOKERPN-VOTSOKGWSA-N
- GK 01394
MolClass #54224
RRHWSMTXEQHBDB-UHFFFAOYSA-N
- CD 02452
MolClass #54290
GNJJZODKOVVIJA-UHFFFAOYSA-N
- RH 01805
MolClass #54335
ZNMOFDBPZNWCGV-UHFFFAOYSA-N
- BTB 02800
MolClass #54362
SRULVQOVZCAERZ-UHFFFAOYSA-N
- KM 05854
MolClass #54475
LOMHHLANDQPQSF-UHFFFAOYSA-N
- CD 06082
MolClass #54522
LYZIGWMBPRMZJV-QPSGOUHRSA-N
- SPB 06907
MolClass #54581
CTCNNTHRMYVCIF-UHFFFAOYSA-N
- BTB 00807
MolClass #54585
PAXCOGZMBWEIGE-UHFFFAOYSA-N
- KM 10779
MolClass #54630
JLTQFVAOWLBLQQ-UHFFFAOYSA-N
- SPB 07700
MolClass #54736
VYKKUVWQESWEDJ-UHFFFAOYSA-N
- RF 02175
MolClass #54785
OXHGKPBUHMDNOH-IFRROFPPSA-N
- SPB 01895
MolClass #54808
AKEVEZOPAIMVNV-UHFFFAOYSA-N
- HTS 03520
MolClass #54840
SGRDESXKYWGZFD-UHFFFAOYSA-N
- S 04283
MolClass #54878
GGJAAVDMUPIJAR-VQHVLOKHSA-N
- KM 05809
MolClass #54930
GOQKKFRTKKYMFP-UHFFFAOYSA-N
- RJC 00031
MolClass #54947
UHZHEOAEJRHUBW-UHFFFAOYSA-N
- BTB 10320
MolClass #54975
IDGDOPBQKPAZMP-UHFFFAOYSA-M
- JFD 00263
MolClass #55081
IORJOKCIHBBZIJ-UHFFFAOYSA-N
- SPB 00471
MolClass #55196
CMULFJLXRBXBGK-UHFFFAOYSA-N
- JFD 03185
MolClass #55236
RMNMUVXBOYSHJV-UHFFFAOYSA-N
- TG 00189
MolClass #55279
LSMXOVVHQPDDDZ-UHFFFAOYSA-N
- S 11082
MolClass #55342
CCEVJKZHAJJQJR-QPJJXVBHSA-N
- CD 00758
MolClass #55364
NBUVXZLQSFVQLE-SFQUDFHCSA-N
- MWP 00824
MolClass #55399
XJRRDNHHMZRTEW-UHFFFAOYSA-N
- KM 09750
MolClass #55472
CNHQACZJTANFKQ-UHFFFAOYSA-N
- DP 02039
MolClass #55523
NIIXFWLTPFIGCL-GIJQJNRQSA-N
- KM 10139
MolClass #55547
RLLQEFFNUAWZJB-UHFFFAOYSA-N
- HAN 00102
MolClass #55604
CYOPGUKIHNIHBB-UHFFFAOYSA-N
- RDR 00047
MolClass #55634
OELRBZSULAMPKZ-UHFFFAOYSA-N
- SEW 01297
MolClass #55648
PZAXHXFHBHHFNG-UHFFFAOYSA-N
- BTB 12851
MolClass #55669
RAJCVPYIEXLJLN-UHFFFAOYSA-N
- SPB 02720
MolClass #55733
IDGWZWGPZBRDAE-UHFFFAOYSA-N
- KM 08947
MolClass #55864
RJNURKQUNFBADL-CCEZHUSRSA-N
- RJF 00163
MolClass #55881
IBHNYCJKBAAMNL-HKWRFOASSA-N
- MWP 00566
MolClass #55940
FEDHLTNNVZWXRD-UHFFFAOYSA-N
- RJC 00588
MolClass #55949
DFUZNDJMFAJHKC-UHFFFAOYSA-N
- SEW 03547
MolClass #55963
LYLMPXMWYZGMIO-UHFFFAOYSA-N
- BTB 07328
MolClass #55981
ASCXMCGIHLFKKF-UHFFFAOYSA-N
- RF 03281
MolClass #56029
GDOHLQJUNBGBIN-UHFFFAOYSA-N
- RJC 03469
MolClass #56113
LOZKEOXUVYADAV-ZCXUNETKSA-N
- BTB 03305
MolClass #56130
YSPDYLRBLAGXAI-UHFFFAOYSA-N
- CD 05102
MolClass #56143
UCNFATXJXCQPNN-AATRIKPKSA-N
- CD 06694
MolClass #56221
ORIAFMSIYORYAR-UHFFFAOYSA-N
- HTS 03128
MolClass #56231
XYXRXFPYQYKUON-UHFFFAOYSA-N
- SPB 01264
MolClass #56345
XAPQTDDOVSUIGN-VZUCSPMQSA-N
- SEW 01975
MolClass #56423
FNORLWXRXSRDJT-UHFFFAOYSA-N
- HTS 05483
MolClass #56456
VYNYSOAMIBPMDG-UHFFFAOYSA-N
- SPB 05564
MolClass #56585
ZBONTQHSCAJVNG-UHFFFAOYSA-N
- BTB 04424
MolClass #56590
HYEJPLWXZXPTRT-UHFFFAOYSA-N
- MWP 00695
MolClass #56635
VPVPMIHIQLCYFF-VULFUBBASA-N
- SPB 03907
MolClass #56661
DKNSVDFEUVGFEN-UHFFFAOYSA-N
- BTB 04902
MolClass #56673
MLCLYDROMFPFSO-UHFFFAOYSA-N
- KM 06828
MolClass #56941
WUIBJAYYBXKKCU-UHFFFAOYSA-N
- SPB 07691
MolClass #56978
KKUYTVLBIBILBX-UHFFFAOYSA-N
- HAN 00332
MolClass #56998
YEOVSLWBBIIEBC-UHFFFAOYSA-N
- RH 01393
MolClass #57040
LSHOSZQLVLPEGG-UHFFFAOYSA-N
- SPB 00830
MolClass #57125
JDTYTOPRWQKSGH-UHFFFAOYSA-N
- JFD 01208
MolClass #57165
FSAFQDYFUJMDCZ-LZWSPWQCSA-N
- RJC 00252
MolClass #57192
QDPAPVHMMIFCLF-UHFFFAOYSA-N
- JFD 03909
MolClass #57245
NDLHUHRGAIHALB-UHFFFAOYSA-N
- KM 08102
MolClass #57249
OIVAUUDNJKWDEK-XMHGGMMESA-N
- SEW 01952
MolClass #57278
WMFVLVGWJBAIBV-UHFFFAOYSA-N
- BTB 06669
MolClass #57299
ULEZQVYLHILFGZ-UHFFFAOYSA-N
- JA 00123
MolClass #57328
DFEWDPRFZHMTII-COWYBJPUSA-N
- JFD 01902
MolClass #57330
HNVCXDAVEHOIBP-UHFFFAOYSA-N
- BTB 14851
MolClass #57379
MVZVLVXMXAXDCF-DGXMUYMBSA-N
- KM 02067
MolClass #57401
JTWQUFYQVVRJEY-UHFFFAOYSA-N
- RF 05259
MolClass #57422
LCSULAPNXAYDEB-UHFFFAOYSA-N
- SEW 00834
MolClass #57439
GLMCWFXSRGSSOS-UHFFFAOYSA-N
- RH 00219
MolClass #57499
PSBWJWZJTFUALX-AATRIKPKSA-N
- S 11645
MolClass #57511
UNMLFVDNUVMNOR-UHFFFAOYSA-N
- SP 01381
MolClass #57522
GNKVBQLWIZMPHX-UHFFFAOYSA-N
- KM 03637
MolClass #57564
UTIJARIMGISELY-FOCLMDBBSA-N
- KM 06494
MolClass #57567
QSDRTQXKVHEMQA-UHFFFAOYSA-N
- RF 04999
MolClass #57578
VUGREUGBSZUMGI-UHFFFAOYSA-N
- BTB 08601
MolClass #57688
CAYWJAFZPCUJSN-UHFFFAOYSA-N
- GK 00806
MolClass #57699
HWGOCFIRFNYTDJ-UHFFFAOYSA-N
- S 12785
MolClass #57748
OTMYLOBWDNFTLO-UHFFFAOYSA-N
- XBX 00130
MolClass #57758
DXNPTDAKAGNRMX-UHFFFAOYSA-N
- BTB 05678
MolClass #57841
YIOHYFNDWMQJIH-AWQFTUOYSA-N