Molecule directory
Explore structures, source datasets and saved model predictions for molecules registered in MolClass.
Search by molecule name, identifier or structure →- 17387835
MolClass #38101
LUAVQGGQDJGAJV-UHFFFAOYSA-N
- 14742182
MolClass #38102
OEOSZFNRZPNEGC-VCHYOVAHSA-N
- 17514606
MolClass #38103
JOMRIBVJEUONEL-UHFFFAOYSA-N
- 865382
MolClass #38104
MNNKRGMSLHQOQF-UHFFFAOYSA-N
- 4246452
MolClass #38105
- 17401893
MolClass #38106
- 4251565
MolClass #38107
IVJIRIRKJITLCS-UHFFFAOYSA-N
- 24802733
MolClass #38108
MKPULMPYJJPLDZ-WQLSENKSSA-N
- 24798642
MolClass #38109
- 865001
MolClass #38110
CQUAAHWMEOWMQJ-ZCXUNETKSA-N
- 17431512
MolClass #38111
SNVSWEBYYVWBGR-GZTJUZNOSA-N
- 17508334
MolClass #38112
DEXNORPUTBBNSC-UHFFFAOYSA-N
- 7968013
MolClass #38113
HUGIZPPBNQJACS-UHFFFAOYSA-N
- 4241267
MolClass #38114
HXKGNBCWSGTZND-UHFFFAOYSA-N
- 4242485
MolClass #38115
RFUPNNNARJESAG-UHFFFAOYSA-N
- 24831900
MolClass #38116
XFUGLTLQINBWPQ-BQYQJAHWSA-N
- 24781456
MolClass #38117
- 24786520
MolClass #38118
IXZQBMRNYLFLPA-UHFFFAOYSA-N
- 7971925
MolClass #38119
RHCGHKASEVWCKZ-UHFFFAOYSA-N
- 14737323
MolClass #38120
FJLVAZGBOQBQOH-UHFFFAOYSA-N
- 17412632
MolClass #38121
QXFHLLATYJOLGL-UHFFFAOYSA-N
- 4250038
MolClass #38122
QBGZKSGQXDDVIG-UHFFFAOYSA-N
- 14730609
MolClass #38123
LQIFXSUXBPJZHM-UHFFFAOYSA-N
- 24821809
MolClass #38124
ZMUXHDBEHINODQ-UHFFFAOYSA-N
- 3713648
MolClass #38125
ZGUXBAHYOPFLBK-UHFFFAOYSA-N
- 14725900
MolClass #38126
- 17386854
MolClass #38127
RTSINCDCLUHNIS-UHFFFAOYSA-N
- 14729229
MolClass #38128
HFHRDTIQKFHDMQ-UHFFFAOYSA-N
- 22401948
MolClass #38129
BRCQJROTFPKKLY-UHFFFAOYSA-N
- 14742719
MolClass #38130
DAEPTIXAKGSDNY-UHFFFAOYSA-N
- 3717618
MolClass #38131
XREBFQKPLURGEF-UHFFFAOYSA-N
- 17508768
MolClass #38132
GVFXJBQZRGZDPE-UHFFFAOYSA-N
- 26719747
MolClass #38133
NTJOBXMMWNYJFB-UHFFFAOYSA-N
- 24805015
MolClass #38134
BBFJZZWRXVVKEC-UHFFFAOYSA-N
- 4251890
MolClass #38135
YABICWGRDOCOPQ-UHFFFAOYSA-N
- 24781723
MolClass #38136
UXVWSAFMTDXLKB-UHFFFAOYSA-N
- 4251988
MolClass #38137
XQKIBLLDJIMZII-UHFFFAOYSA-N
- 858932
MolClass #38138
DLPOGPNKULDLLF-UHFFFAOYSA-N
- 24779521
MolClass #38139
- 24798534
MolClass #38140
YAVRFSWMIYEWNA-FOWTUZBSSA-N
- 4244083
MolClass #38141
RLOAOVWZVUHPEY-UHFFFAOYSA-N
- 14728837
MolClass #38142
WATOQANHJKNNSP-KBPBESRZSA-N
- 14728810
MolClass #38143
HWLXLSSMBLCREZ-IHRRRGAJSA-N
- 17401528
MolClass #38144
PQKWYVXFDWMVBP-UHFFFAOYSA-N
- 26719693
MolClass #38145
ZDZOTLJHXYCWBA-BSEPLHNVSA-N
- 24833757
MolClass #38146
DOQMISIHFJYIMG-UHFFFAOYSA-N
- 17409613
MolClass #38147
AUCCOQYIZAFNKU-UHFFFAOYSA-N
- 7966117
MolClass #38148
MURWDTJGOWEUNM-UHFFFAOYSA-N
- 857279
MolClass #38149
KHLYPNYZYMYTHL-UHFFFAOYSA-N
- 4249387
MolClass #38150
- 859024
MolClass #38151
HVJYOIRAMKJIPW-XBXARRHUSA-N
- 856846
MolClass #38152
WOAIYBQMKKZABM-XDHOZWIPSA-N
- 24810875
MolClass #38153
HJSADCRJJJNTCE-UHFFFAOYSA-N
- 861491
MolClass #38154
- 24809340
MolClass #38155
VLQMAVVBCYNBQC-UHFFFAOYSA-N
- 842932
MolClass #38156
XBFMEHHFYZYVBC-UHFFFAOYSA-N
- 14738265
MolClass #38157
SZTBJCOMAMENNP-BOPFTXTBSA-N
- 24783635
MolClass #38158
QYBDHKXICKUGBH-UHFFFAOYSA-N
- 17411312
MolClass #38159
UCBXAOGBDJKMDJ-UHFFFAOYSA-N
- 14718739
MolClass #38160
IRCCTADDCJDRJI-UHFFFAOYSA-N
- 24783565
MolClass #38161
GRDAJYRTANTXAI-UHFFFAOYSA-N
- 17513458
MolClass #38162
OATADCACUCTNIL-UHFFFAOYSA-N
- 24808597
MolClass #38163
VOEPNEXOAAXCCH-UHFFFAOYSA-N
- 7968515
MolClass #38164
WTGQSROIIWLTRZ-UHFFFAOYSA-N
- 862338
MolClass #38165
OGQIHCZEWOQFBK-UHFFFAOYSA-N
- 3716990
MolClass #38166
WALKKMRODCYMIX-UHFFFAOYSA-N
- 3716447
MolClass #38167
MHKFSUVKILPXAD-UHFFFAOYSA-N
- 4262190
MolClass #38168
- 22413910
MolClass #38169
WLDGRWOPCYIIHR-AAEUAGOBSA-N
- 3715537
MolClass #38170
YZVBTQDJTRCXMW-UHFFFAOYSA-N
- 22400460
MolClass #38171
KGRFGARPBAOETG-UHFFFAOYSA-N
- 865735
MolClass #38172
PTFNZEWBCJYWHA-UHFFFAOYSA-N
- 24820843
MolClass #38173
KALPNLSEETUKEC-UHFFFAOYSA-N
- 856875
MolClass #38174
LBVMECGJURCSOI-UHFFFAOYSA-N
- 24790128
MolClass #38175
- 24836634
MolClass #38176
XZPAODOSZXXBRT-GHXNOFRVSA-N
- 858906
MolClass #38177
ZXLVYEAIQJQZDX-UHFFFAOYSA-N
- 7966441
MolClass #38178
LQNSLLWYVSGUIA-UHFFFAOYSA-N
- 24781639
MolClass #38179
- 14719311
MolClass #38180
VZFRNCSOCOPNDB-AOKDLOFSSA-N
- 7968653
MolClass #38181
- 24811189
MolClass #38182
XPEFDOYPFSNZHM-UHFFFAOYSA-N
- 856890
MolClass #38183
HULDEQIBEVXFQD-UHFFFAOYSA-N
- 24802308
MolClass #38184
GJFGOBJQPAQOSR-UHFFFAOYSA-N
- 17515334
MolClass #38185
SLBXWXBAVMTEPO-UHFFFAOYSA-N
- 862037
MolClass #38186
DQCJFQDDEQCKCN-UHFFFAOYSA-N
- 22413954
MolClass #38187
VCYINNOWOBOENW-UHFFFAOYSA-N
- 3714029
MolClass #38188
CLIFAHZNOJWFSV-UHFFFAOYSA-N
- 857057
MolClass #38189
SINOSSINPUUMEM-UHFFFAOYSA-N
- 14732015
MolClass #38190
XARPXQHLXBDUIB-UHFFFAOYSA-N
- 17386998
MolClass #38191
POFGZJDRQAJRPB-VQHVLOKHSA-N
- 17505072
MolClass #38192
DCYOADKBABEMIQ-OWMUPTOHSA-N
- 7965483
MolClass #38193
- 22403856
MolClass #38194
GAGLSSGMNWRWPS-UHFFFAOYSA-N
- 14732218
MolClass #38195
PSEOZXIJUNTMJP-UHFFFAOYSA-N
- 14728292
MolClass #38196
OVKVVQHYQFDCIJ-UHFFFAOYSA-N
- 4244656
MolClass #38197
NZVJFTYTUSTQRV-UHFFFAOYSA-N
- 17510011
MolClass #38198
OORYLEOEHIAVSW-JZSRCMMISA-N
- 4248958
MolClass #38199
KUQHSIJQZVBKHB-UHFFFAOYSA-N
- 4256885
MolClass #38200
SXEHMQUOEBSYQA-UHFFFAOYSA-N