Molecule directory
Explore structures, source datasets and saved model predictions for molecules registered in MolClass.
Search by molecule name, identifier or structure →- LOPAC 00128
MolClass #701
WJAJPNHVVFWKKL-UHFFFAOYSA-N
- LOPAC 01063
MolClass #702
CJCSPKMFHVPWAR-UHFFFAOYSA-N
- LOPAC 01336
MolClass #703
OZYUPQUCAUTOBP-UHFFFAOYSA-N
- LOPAC 01025
MolClass #704
YONZEVQTIYSTAP-UHFFFAOYSA-N
- LOPAC 01032
MolClass #705
AAKDPDFZMNYDLR-UHFFFAOYSA-N
- LOPAC 01113
MolClass #706
QAOAOVKBIIKRNL-UHFFFAOYSA-M
- LOPAC 00373
MolClass #707
HOKKHZGPKSLGJE-UHFFFAOYSA-N
- LOPAC 01047
MolClass #708
YXOLAZRVSSWPPT-UHFFFAOYSA-N
- LOPAC 00411
MolClass #709
NGVMVBQRKZPFLB-UHFFFAOYSA-N
- LOPAC 00208
MolClass #710
XQLWNAFCTODIRK-UHFFFAOYSA-N
- LOPAC 01057
MolClass #711
KKZJGLLVHKMTCM-UHFFFAOYSA-N
- LOPAC 01064
MolClass #712
NPBWMMRUXMTIRC-ISLYRVAYSA-K
- LOPAC 01021
MolClass #713
- LOPAC 01026
MolClass #714
XJQPQKLURWNAAH-UHFFFAOYSA-N
- LOPAC 00548
MolClass #715
UUSHFEVEROROSP-UHFFFAOYSA-N
- LOPAC 01037
MolClass #716
VLPIATFUUWWMKC-UHFFFAOYSA-N
- LOPAC 01043
MolClass #717
WYJJUDJUEGRXHZ-UHFFFAOYSA-N
- LOPAC 00210
MolClass #718
ZFMITUMMTDLWHR-UHFFFAOYSA-N
- LOPAC 00520
MolClass #719
- LOPAC 01054
MolClass #720
GFIPROCAVXFHHK-VOTSOKGWSA-N
- LOPAC 01058
MolClass #721
- LOPAC 01197
MolClass #722
YDBCEBYHYKAFRX-UHFFFAOYSA-N
- LOPAC 00290
MolClass #723
- LOPAC 01027
MolClass #724
CMWTZPSULFXXJA-UHFFFAOYSA-M
- LOPAC 01033
MolClass #725
SGDBTWWWUNNDEQ-UHFFFAOYSA-N
- LOPAC 01038
MolClass #726
- LOPAC 01044
MolClass #727
LTJRPMXBLUJHIO-UHFFFAOYSA-M
- LOPAC 01050
MolClass #728
SXTAYKAGBXMACB-UHFFFAOYSA-N
- LOPAC 01055
MolClass #729
DNTSIBUQMRRYIU-UHFFFAOYSA-N
- LOPAC 01059
MolClass #730
XDSSPSLGNGIIHP-UHFFFAOYSA-N
- LOPAC 01066
MolClass #731
GTACSIONMHMRPD-UHFFFAOYSA-N
- LOPAC 01067
MolClass #732
VKHAHZOOUSRJNA-UHFFFAOYSA-N
- LOPAC 00607
MolClass #733
NOVCVIHKUSKQHJ-UHFFFAOYSA-N
- LOPAC 00344
MolClass #734
LBOJYSIDWZQNJS-UHFFFAOYSA-N
- LOPAC 00521
MolClass #735
RLJFTICUTYVZDG-UHFFFAOYSA-N
- LOPAC 00379
MolClass #736
- LOPAC 00413
MolClass #737
- LOPAC 01084
MolClass #738
FPLZDFIDWYDARU-AATRIKPKSA-M
- LOPAC 01090
MolClass #739
SNICXCGAKADSCV-UHFFFAOYSA-N
- LOPAC 00214
MolClass #740
ZBBHBTPTTSWHBA-UHFFFAOYSA-N
- LOPAC 01097
MolClass #741
JMONOAYAUIIKMS-UHFFFAOYSA-H
- LOPAC 01072
MolClass #742
QSLMDECMDJKHMQ-UHFFFAOYSA-N
- LOPAC 00518
MolClass #743
- LOPAC 01337
MolClass #744
WLMZTKAZJUWXCB-UHFFFAOYSA-K
- LOPAC 00055
MolClass #745
OOEMZCZWZXHBKW-UHFFFAOYSA-N
- LOPAC 00212
MolClass #746
ALWKGYPQUAPLQC-UHFFFAOYSA-N
- LOPAC 01085
MolClass #747
HYHSBSXUHZOYLX-UHFFFAOYSA-N
- LOPAC 00404
MolClass #748
MRAUNPAHJZDYCK-UHFFFAOYSA-N
- LOPAC 00213
MolClass #749
HYIMSNHJOBLJNT-UHFFFAOYSA-N
- LOPAC 01098
MolClass #750
VFEDRRNHLBGPNN-UHFFFAOYSA-N
- LOPAC 01068
MolClass #751
LOBCDGHHHHGHFA-UHFFFAOYSA-N
- LOPAC 00438
MolClass #752
PJWUXKNZVMEPPH-UHFFFAOYSA-N
- LOPAC 00519
MolClass #753
- LOPAC 00292
MolClass #754
WYCMFCPHWDZHMR-UHFFFAOYSA-N
- LOPAC 01077
MolClass #755
YJZYDPRMWYWYCG-UHFFFAOYSA-N
- LOPAC 01081
MolClass #756
VCRGLZYPNNAVRP-UHFFFAOYSA-N
- LOPAC 01086
MolClass #757
LVMKJEGBKLMTAR-UHFFFAOYSA-M
- LOPAC 01091
MolClass #758
VIXRKFBKWOHVBR-UHFFFAOYSA-N
- LOPAC 00456
MolClass #759
UZHSEJADLWPNLE-UHFFFAOYSA-N
- LOPAC 01099
MolClass #760
JAABVEXCGCXWRR-UHFFFAOYSA-N
- LOPAC 01069
MolClass #761
MCTWTZJPVLRJOU-UHFFFAOYSA-N
- LOPAC 00516
MolClass #762
DGMKFQYCZXERLX-UHFFFAOYSA-N
- LOPAC 00051
MolClass #763
RECBNDOXLFOHMR-UHFFFAOYSA-N
- LOPAC 00375
MolClass #764
ZOULUQNTQXNCKL-UHFFFAOYSA-N
- LOPAC 00472
MolClass #765
DSMNGWOUQMYTJH-UHFFFAOYSA-N
- LOPAC 00056
MolClass #766
DYCJFJRCWPVDHY-UHFFFAOYSA-N
- LOPAC 01087
MolClass #767
MHWLWQUZZRMNGJ-UHFFFAOYSA-M
- LOPAC 01092
MolClass #768
WBLZUCOIBUDNBV-UHFFFAOYSA-N
- LOPAC 00453
MolClass #769
- LOPAC 00266
MolClass #770
QNBCPLWFVGLFHO-UHFFFAOYSA-N
- LOPAC 00207
MolClass #771
IMYZQPCYWPFTAG-UHFFFAOYSA-N
- LOPAC 01075
MolClass #772
FGSGBQAQSPSRJK-UHFFFAOYSA-N
- LOPAC 00448
MolClass #773
JSASWRWALCMOQP-UHFFFAOYSA-N
- LOPAC 01078
MolClass #774
JZFPYUNJRRFVQU-UHFFFAOYSA-N
- LOPAC 00457
MolClass #775
DQCKKXVULJGBQN-UHFFFAOYSA-N
- LOPAC 00458
MolClass #776
NETZHAKZCGBWSS-UHFFFAOYSA-N
- LOPAC 00405
MolClass #777
KCWZGJVSDFYRIX-UHFFFAOYSA-N
- LOPAC 01093
MolClass #778
VMQJSWQUKLAPAJ-UHFFFAOYSA-N
- LOPAC 01100
MolClass #779
CMIBUZBMZCBCAT-UHFFFAOYSA-N
- LOPAC 01070
MolClass #780
HNJJXZKZRAWDPF-UHFFFAOYSA-N
- LOPAC 01074
MolClass #781
UQOFGTXDASPNLL-UHFFFAOYSA-N
- LOPAC 01076
MolClass #782
FKDHHVKWGRFRTG-UHFFFAOYSA-N
- LOPAC 01079
MolClass #783
HYWYRSMBCFDLJT-UHFFFAOYSA-N
- LOPAC 01082
MolClass #784
ZIIQCSMRQKCOCT-UHFFFAOYSA-N
- LOPAC 00218
MolClass #785
WBSMIPAMAXNXFS-UHFFFAOYSA-N
- LOPAC 00129
MolClass #786
YNYAYWLBAHXHLL-UHFFFAOYSA-N
- LOPAC 01094
MolClass #787
WZJKPXZLQTXALB-UHFFFAOYSA-N
- LOPAC 00473
MolClass #788
- LOPAC 00377
MolClass #789
BUGYDGFZZOZRHP-UHFFFAOYSA-N
- LOPAC 00206
MolClass #790
RPMBYDYUVKEZJA-UHFFFAOYSA-N
- LOPAC 00550
MolClass #791
KPJZHOPZRAFDTN-UHFFFAOYSA-N
- LOPAC 00378
MolClass #792
ILNSWVUXAPSPEH-UHFFFAOYSA-N
- LOPAC 00619
MolClass #793
NOIIUHRQUVNIDD-UHFFFAOYSA-N
- LOPAC 01083
MolClass #794
RJMUSRYZPJIFPJ-UHFFFAOYSA-N
- LOPAC 01088
MolClass #795
FXAIVMYRMNONEG-UHFFFAOYSA-F
- LOPAC 00524
MolClass #796
PHVGLTMQBUFIQQ-UHFFFAOYSA-N
- LOPAC 01095
MolClass #797
HXTDAUGEZTYMGP-UHFFFAOYSA-N
- LOPAC 01101
MolClass #798
UWMHXIDTSXFMCR-UHFFFAOYSA-N
- LOPAC 01071
MolClass #799
XAKAQCMEMMZUEO-UHFFFAOYSA-N
- LOPAC 00209
MolClass #800
YAUZNKLMKRQDAM-UHFFFAOYSA-O