Molecule directory
Explore structures, source datasets and saved model predictions for molecules registered in MolClass.
Search by molecule name, identifier or structure →- BTB 02045
MolClass #80808
FHWCGSWKNJPQOW-UHFFFAOYSA-N
- BTB 02100
MolClass #80809
NFKGBHOZZZSHDA-UHFFFAOYSA-N
- BTB 02152
MolClass #80810
HWIPMRQRMIGLLO-KEBDBYFISA-N
- BTB 02163
MolClass #80811
WCHILFJZKVUYKJ-UHFFFAOYSA-N
- BTB 02164
MolClass #80812
ARVMVJJYSIVYTJ-UHFFFAOYSA-N
- BTB 02167
MolClass #80813
LODJNFODNVTBNJ-RQZCQDPDSA-N
- BTB 02215
MolClass #80814
GPZDMWVKPJXJBS-UHFFFAOYSA-N
- BTB 02216
MolClass #80815
IBYMEFQBLQFXCM-UHFFFAOYSA-N
- BTB 02223
MolClass #80816
KMHVBYNBCURRQT-UHFFFAOYSA-N
- BTB 02332
MolClass #80817
YJECTWZSDOKOGS-UHFFFAOYSA-N
- BTB 02708
MolClass #80818
QVQCNVTVIGIROT-UHFFFAOYSA-N
- XBX 00259
MolClass #80819
HZPWFZGYVSBDNJ-UHFFFAOYSA-N
- BTB 02880
MolClass #80820
NYUMLENDFBQVBE-UHFFFAOYSA-N
- BTB 03006
MolClass #80821
SWLAITZOTBJNHY-UHFFFAOYSA-N
- BTB 03156
MolClass #80822
NLEAEDKAJBGPBT-UHFFFAOYSA-N
- BTB 03767
MolClass #80823
SOFRFSFITYCWKS-UHFFFAOYSA-N
- BTB 03984
MolClass #80824
YMIHDGCMWHNRHC-UHFFFAOYSA-N
- BTB 04176
MolClass #80825
CSXGGZBWIVTHMW-UHFFFAOYSA-N
- BTB 04426
MolClass #80826
RKEWPPCMMHLFBX-UHFFFAOYSA-N
- BTB 04487
MolClass #80827
JSJYLGHMJZPMMF-UHFFFAOYSA-N
- BTB 04959
MolClass #80828
- BTB 04965
MolClass #80829
- BTB 04980
MolClass #80830
VLVAEYCHARCCPC-UHFFFAOYSA-N
- BTB 05015
MolClass #80831
IFABZBVOMHYQCI-UHFFFAOYSA-N
- BTB 05131
MolClass #80832
DMACFGBJUWHXPO-RMKNXTFCSA-N
- BTB 05178
MolClass #80833
OIKZFMALSWELKZ-OHGISNTKSA-N
- BTB 05299
MolClass #80834
HKXPWGSNAGHEPR-UHFFFAOYSA-N
- BTB 05304
MolClass #80835
TVZRVIPIMXLVPJ-UHFFFAOYSA-N
- BTB 05335
MolClass #80836
QIVLIIVLOQRPJV-UHFFFAOYSA-N
- BTB 05411
MolClass #80837
RQGIZKGFTNKVNU-UHFFFAOYSA-N
- BTB 05413
MolClass #80838
UQWODTREBORXJA-UHFFFAOYSA-N
- BTB 05417
MolClass #80839
ATYAOIMWJXUQGI-UHFFFAOYSA-N
- BTB 05434
MolClass #80840
FYIVYADTFJAGSZ-UHFFFAOYSA-N
- BTB 05488
MolClass #80841
UATPPQJDVSILEB-UHFFFAOYSA-N
- BTB 06196
MolClass #80842
YACAPFWEOQHURP-UHFFFAOYSA-N
- BTB 06254
MolClass #80843
BPQWJZPSUYKDSY-UHFFFAOYSA-N
- BTB 06263
MolClass #80844
IQPFZKDZRHIIMS-UHFFFAOYSA-N
- BTB 06536
MolClass #80845
JJKIERMMCZQKFQ-UHFFFAOYSA-N
- BTB 06587
MolClass #80846
YTCVPEZECJYZRK-UHFFFAOYSA-N
- BTB 06671
MolClass #80847
PKHPSKPBYLRVBU-UHFFFAOYSA-N
- BTB 06776
MolClass #80848
MQYASOCBKKQXJX-UHFFFAOYSA-N
- BTB 06877
MolClass #80849
UNPJAGUQYSCNGH-AWQFTUOYSA-N
- BTB 06938
MolClass #80850
FPIJRHXXAUNOQK-UHFFFAOYSA-N
- BTB 07090
MolClass #80851
WQYJBGFEKSKUKD-KPKJPENVSA-N
- BTB 07256
MolClass #80852
- BTB 07887
MolClass #80853
- BTB 08347
MolClass #80854
UJNCGSISLQLEDB-UHFFFAOYSA-N
- BTB 08378
MolClass #80855
UUJDNTKXIYWVSB-UHFFFAOYSA-N
- BTB 08717
MolClass #80856
APIRIORKVDUBND-UHFFFAOYSA-N
- BTB 09155
MolClass #80857
KDVGXXBOCUFNTQ-UHFFFAOYSA-N
- BTB 10339
MolClass #80858
AKLGESQYXMFHBK-FBMGVBCBSA-N
- BTB 10696
MolClass #80859
DYGOONKHSLUTNW-UHFFFAOYSA-N
- BTB 10821
MolClass #80860
DUTNBAQMMZPIKM-FPYGCLRLSA-N
- BTB 11033
MolClass #80861
ZSIPCKWVSUIUIS-UHFFFAOYSA-N
- BTB 11084
MolClass #80862
PJCBWJIHDGZRQV-DGMRHLKASA-N
- BTB 11110
MolClass #80863
BWYUTAABVWWPQU-OBUCEREZSA-N
- BTB 11228
MolClass #80864
SYNMRWNNTMNUCR-VBHBRTPISA-N
- BTB 11385
MolClass #80865
MKKFBMMVSZMAGN-CMDGGOBGSA-N
- BTB 11831
MolClass #80866
- BTB 11841
MolClass #80867
- BTB 11866
MolClass #80868
HGSUIPMLZQCBLF-UHFFFAOYSA-N
- BTB 12233
MolClass #80869
MQIMMVBJAICTOC-UHFFFAOYSA-N
- BTB 12258
MolClass #80870
XKJCZDUBZTXXJX-UHFFFAOYSA-N
- BTB 12669
MolClass #80871
WXKKTGRVYVUWQI-UHFFFAOYSA-N
- BTB 12860
MolClass #80872
JCNFGVSJUHFARO-UHFFFAOYSA-N
- BTB 13385
MolClass #80873
- BTB 13421
MolClass #80874
URWOMOAEGDFDIK-UHFFFAOYSA-N
- BTB 13657
MolClass #80875
PROZIAZOBMCIQZ-UHFFFAOYSA-N
- BTB 13756
MolClass #80876
NLSLKWSAYYBQSO-UHFFFAOYSA-N
- BTB 13762
MolClass #80877
KPQIATQAVKARPU-UHFFFAOYSA-N
- BTB 13764
MolClass #80878
JTIXCWMHGHKUCL-UHFFFAOYSA-N
- BTB 13766
MolClass #80879
QBOOSWWAGVCMMU-UHFFFAOYSA-N
- BTB 14806
MolClass #80880
KFSPXJILWYFFCC-UHFFFAOYSA-N
- BTB 14906
MolClass #80881
LFQGYZSWLGHVNA-UHFFFAOYSA-N
- BTB 15057
MolClass #80882
- CD 00352
MolClass #80883
KLIZOLYAAHIVIP-UHFFFAOYSA-N
- CD 00749
MolClass #80884
IRQQWCZKCUQNSO-LFIBNONCSA-N
- CD 00754
MolClass #80885
MEZFKCPUSMBMAY-SDNWHVSQSA-N
- CD 00755
MolClass #80886
QIERHADIMMFZNE-UKTHLTGXSA-N
- CD 00757
MolClass #80887
DAVQJYXFWUIYRH-FMIVXFBMSA-N
- CD 01177
MolClass #80888
SKTFXOYRLQSRAW-FZSIALSZSA-N
- CD 01476
MolClass #80889
FDGNWURDHJXDAX-CXUHLZMHSA-N
- CD 01510
MolClass #80890
OELNWPFOCLZLJD-UHFFFAOYSA-N
- CD 02142
MolClass #80891
ALLLQDGFOXUDBW-UHFFFAOYSA-N
- CD 02572
MolClass #80892
BFGZBWOOHWQVMV-SRZZPIQSSA-N
- CD 02715
MolClass #80893
- CD 03007
MolClass #80894
MWDXVNLHHGFYED-CXUHLZMHSA-N
- CD 03262
MolClass #80895
BTYMNVZPZXXQES-LIMNOBDPSA-N
- CD 03380
MolClass #80896
UVEOMKIPWQWVJG-UHFFFAOYSA-N
- CD 03470
MolClass #80897
PSTSOVPNAZHFPV-UHFFFAOYSA-N
- CD 03591
MolClass #80898
QHGRDGNTQJLIIT-UHFFFAOYSA-N
- CD 03594
MolClass #80899
AQJKUGVZSSBIKN-UHFFFAOYSA-N
- CD 03679
MolClass #80900
IOFGDJMGLZMJKU-UHFFFAOYSA-N
- CD 03979
MolClass #80901
QUKWEGYBVDQTAW-UHFFFAOYSA-N
- CD 04228
MolClass #80902
BXCVGJLGFQGUDJ-UHFFFAOYSA-N
- CD 04311
MolClass #80903
IBGXLNPDTUGYNQ-UHFFFAOYSA-N
- CD 04510
MolClass #80904
- CD 06531
MolClass #80905
- CD 06603
MolClass #80906
PLCAZDDBOKYRML-UHFFFAOYSA-N
- CD 06646
MolClass #80907
RZQQQWUVWWVDCN-UHFFFAOYSA-N