Molecule directory
Explore structures, source datasets and saved model predictions for molecules registered in MolClass.
Search by molecule name, identifier or structure →- 1662178
MolClass #16001
QWZCISLHXBQCFX-UHFFFAOYSA-N
- 1564220
MolClass #16002
- 1508998
MolClass #16003
SAESNOVMAKWPGP-UHFFFAOYSA-N
- 1918396
MolClass #16004
LSKSYJASJJPZNN-FIFLTTCUSA-N
- 3026805
MolClass #16005
- 1946388
MolClass #16006
- 1918027
MolClass #16007
DNYDRXZHNAOSLL-UHFFFAOYSA-N
- 1388025
MolClass #16008
SUCIGGNKFQOJQC-UHFFFAOYSA-N
- 1969288
MolClass #16009
JLQCVPAHZKQHFY-UHFFFAOYSA-N
- 1954564
MolClass #16010
WRYCIQSBPOUESM-UHFFFAOYSA-N
- 1948758
MolClass #16011
YLJGBPSOAPPARL-LCYFTJDESA-N
- 1986026
MolClass #16012
CKXGAEVBLOPBOH-UHFFFAOYSA-N
- 1949790
MolClass #16013
- 1325013
MolClass #16014
TWHDANXBCWCHBY-UHFFFAOYSA-N
- 1988930
MolClass #16015
SBEHUSXLZCJYGB-UHFFFAOYSA-N
- 1985966
MolClass #16016
- 1312514
MolClass #16017
YSIQFIFIHHLSEF-UHFFFAOYSA-N
- 1931050
MolClass #16018
- 1786202
MolClass #16019
ARUWGFBKYWFXFT-UHFFFAOYSA-N
- 1241470
MolClass #16020
WXTZAKJDWNKEIG-UHFFFAOYSA-N
- 1979720
MolClass #16021
- 1912744
MolClass #16022
WIOKYFIJLDWLRU-UHFFFAOYSA-N
- 2068135
MolClass #16023
HSMYCQNCPYPUCG-UHFFFAOYSA-N
- 1911050
MolClass #16024
ZXDFICLWNXZJTN-UHFFFAOYSA-N
- 1258026
MolClass #16025
ZMXYJONAFPIYBK-UHFFFAOYSA-N
- 1277363
MolClass #16026
VYYXRFPUDAHYMD-UHFFFAOYSA-N
- 1917599
MolClass #16027
WQZBIKGBUQYDNG-GZTJUZNOSA-N
- 2061673
MolClass #16028
GUEZVSFDXPWEJS-UHFFFAOYSA-N
- 2061748
MolClass #16029
HJUUBQVQMWRSJN-UFWORHAWSA-N
- 3118945
MolClass #16030
XIEDWZFCGHTSJO-UHFFFAOYSA-N
- 1942606
MolClass #16031
GOFBZSKSPLOSSO-UHFFFAOYSA-N
- 1983783
MolClass #16032
LDZXSQFIFVOBGA-UHFFFAOYSA-N
- 1948437
MolClass #16033
SLBQVIAHBHODFM-UHFFFAOYSA-N
- 1578080
MolClass #16034
FDQUJFFWDKRYJR-UHFFFAOYSA-N
- 1174202
MolClass #16035
- 2061126
MolClass #16036
- 1264557
MolClass #16037
HAQJGWJLNVFFPT-UHFFFAOYSA-N
- 1332305
MolClass #16038
- 1486835
MolClass #16039
QEILFVKVBAOMAK-UHFFFAOYSA-N
- 1931391
MolClass #16040
MWPJJDLUEAGQME-LICLKQGHSA-N
- 1921629
MolClass #16041
UDDJEDMMKFKDAG-ZROIWOOFSA-N
- 1208608
MolClass #16042
BJBDRDMKLXVHOW-UHFFFAOYSA-N
- 1424022
MolClass #16043
- 1933477
MolClass #16044
OMGXNXJJONDDHN-UHFFFAOYSA-N
- 1596193
MolClass #16045
SLIKGSCDUVUCDG-UHFFFAOYSA-N
- 1360591
MolClass #16046
CCLLAYJCABXYNK-UHFFFAOYSA-N
- 3119205
MolClass #16047
UHCJZBASGYRZIW-UHFFFAOYSA-N
- 1982951
MolClass #16048
UIOIHYXUBZYHKH-UHFFFAOYSA-N
- 1965518
MolClass #16049
- 1927154
MolClass #16050
KVHMPRDQCUDRKR-UHFFFAOYSA-N
- 1987777
MolClass #16051
BIETYWMDQVCHLC-UHFFFAOYSA-N
- 1923815
MolClass #16052
RFFQYNGKBRHJIN-UHFFFAOYSA-N
- 1932839
MolClass #16053
HGEKTLUIVASDNQ-VCHYOVAHSA-N
- 1942420
MolClass #16054
- 3123766
MolClass #16055
- 2068216
MolClass #16056
OXQVIJCOZALWCV-CMDGGOBGSA-N
- 1926697
MolClass #16057
ZRJYUWUPXPVMMA-CXUHLZMHSA-N
- 1324643
MolClass #16058
SQRBRJKPNNKVOT-UHFFFAOYSA-N
- 3043369
MolClass #16059
ZSSLWKYJESFQMN-UHFFFAOYSA-N
- 2066550
MolClass #16060
BVMIUBUVXHYEMB-AWBIATKDSA-N
- 1948474
MolClass #16061
WMYYICLBILQEBW-UHFFFAOYSA-N
- 2063745
MolClass #16062
LBTYJLGDSNBOLE-UHFFFAOYSA-N
- 1966894
MolClass #16063
MVHYQSQRNHVZTO-UHFFFAOYSA-N
- 1490286
MolClass #16064
- 1908066
MolClass #16065
ZUZAKMDXNSRAJC-UFWORHAWSA-N
- 1919366
MolClass #16066
- 1938003
MolClass #16067
QJSWMAGRGDBRDI-UHFFFAOYSA-N
- 3119163
MolClass #16068
DXUULSJEZXVXCA-UHFFFAOYSA-N
- 3040538
MolClass #16069
YZNFZQBGXPHDON-UHFFFAOYSA-N
- 3122576
MolClass #16070
JGDYBGKZVWWMSL-UHFFFAOYSA-N
- 3042266
MolClass #16071
WDGPLFSXIOENRB-UHFFFAOYSA-N
- 1985786
MolClass #16072
KAMIVDXYBBUVQD-UHFFFAOYSA-N
- 1711544
MolClass #16073
- 1982962
MolClass #16074
VSOAOCAJFDLOIT-UHFFFAOYSA-N
- 1195788
MolClass #16075
- 1917291
MolClass #16076
LLUNQKDRHSUYCU-UHFFFAOYSA-N
- 2067073
MolClass #16077
- 2061271
MolClass #16078
XLGFNGMPXRMQPB-UNOMPAQXSA-N
- 1985136
MolClass #16079
BLXPCBJPFXYBKQ-UHFFFAOYSA-N
- 1942503
MolClass #16080
- 2066071
MolClass #16081
SRBVZWYTRZVHOO-UHFFFAOYSA-N
- 1183779
MolClass #16082
AGFZJQDWVBDHHF-UHFFFAOYSA-N
- 3035802
MolClass #16083
UGONQSXTBVMLKF-UHFFFAOYSA-N
- 1920264
MolClass #16084
JUWAZXWFTPFCQR-UBKPWBPPSA-N
- 2069097
MolClass #16085
GAYJWTKLFXLFGW-UHFFFAOYSA-N
- 1918855
MolClass #16086
ZJINYWLRYJZQBW-NYYWCZLTSA-N
- 1919796
MolClass #16087
XGSLUVVSOPYNSC-KPKJPENVSA-N
- 3036165
MolClass #16088
WKECCXRFZFYJAR-UHFFFAOYSA-N
- 3121691
MolClass #16089
- 1983163
MolClass #16090
CKUGMHGNCKDTKE-UHFFFAOYSA-N
- 3036460
MolClass #16091
AHQULGQCROORAY-UHFFFAOYSA-N
- 1989204
MolClass #16092
FJVQHEARLFVLEY-UHFFFAOYSA-N
- 1947884
MolClass #16093
BIILOYLDHQNEBF-OQLLNIDSSA-N
- 1984641
MolClass #16094
- 1945801
MolClass #16095
OXFMCQCXTYOOQV-UHFFFAOYSA-N
- 1613024
MolClass #16096
CZCCEYVEVRLBGY-UHFFFAOYSA-N
- 3030277
MolClass #16097
LTDHBZZBZXNWHA-UHFFFAOYSA-N
- 1716977
MolClass #16098
QZCXHMSVCKOSKJ-UHFFFAOYSA-N
- 1976344
MolClass #16099
FUTMDTOKLIPHRU-XGICHPGQSA-N
- 1872415
MolClass #16100
KRSYZGRMQHIGHC-WYMLVPIESA-N