Molecule directory
Explore structures, source datasets and saved model predictions for molecules registered in MolClass.
Search by molecule name, identifier or structure →- S 00686
MolClass #81208
PKSCFEYAAPXDKL-CAOOACKPSA-N
- S 01339
MolClass #81209
XQCSESYNWRKWCB-UHFFFAOYSA-N
- S 01340
MolClass #81210
USHHDORZAHXENN-UHFFFAOYSA-N
- S 01347
MolClass #81211
PJBXBDSTURWRBO-UHFFFAOYSA-N
- S 01348
MolClass #81212
BZUKGARCPDEBLG-UHFFFAOYSA-N
- S 01349
MolClass #81213
YSVTWQFPUVGTDE-UHFFFAOYSA-N
- S 01356
MolClass #81214
VTEURHGUCFTVGM-UHFFFAOYSA-N
- S 01362
MolClass #81215
BAWHYOHVWHQWFQ-UHFFFAOYSA-N
- S 01372
MolClass #81216
VMDQUQBEIFMAIC-UHFFFAOYSA-N
- S 01401
MolClass #81217
KPQOXMCRYWDRSB-UHFFFAOYSA-N
- S 01402
MolClass #81218
MKRBAPNEJMFMHU-UHFFFAOYSA-N
- S 01528
MolClass #81219
KEMNWHXTZNKIAK-UHFFFAOYSA-N
- S 01644
MolClass #81220
VAYJAEOCYWSGBB-UHFFFAOYSA-N
- S 01742
MolClass #81221
QIFBMDXYCWMHJW-UHFFFAOYSA-N
- S 01960
MolClass #81222
QFVAWNPSRQWSDU-UHFFFAOYSA-N
- S 01961
MolClass #81223
UKOMXNJCDWIWSI-UHFFFAOYSA-N
- S 02359
MolClass #81224
HBSFQQKLTZDQKW-UHFFFAOYSA-N
- S 02408
MolClass #81225
ZMEOYUMKMSZANW-UHFFFAOYSA-N
- S 02409
MolClass #81226
SHZWRKLOLJEAIR-UHFFFAOYSA-N
- S 02803
MolClass #81227
OXXJEEWPKQNYJK-UHFFFAOYSA-N
- S 02846
MolClass #81228
CGGDDXJVSGFQON-UHFFFAOYSA-N
- S 03085
MolClass #81229
NYQTVLZGKQXVIT-UHFFFAOYSA-N
- S 03092
MolClass #81230
VNMIXZLSPNJOGL-UHFFFAOYSA-N
- S 03280
MolClass #81231
DDMUCNBBNKTNCX-UHFFFAOYSA-N
- S 03357
MolClass #81232
ISGBKWSEHGAUNF-UHFFFAOYSA-N
- S 03789
MolClass #81233
JFJGVJNGNNTVCK-UHFFFAOYSA-N
- S 03802
MolClass #81234
KQWYBZPAYQQDKU-VCHYOVAHSA-N
- S 03807
MolClass #81235
GYUHORVVZJAIKQ-BQYQJAHWSA-N
- S 03835
MolClass #81236
BVNOVCCMWCOYQL-UHFFFAOYSA-N
- S 03869
MolClass #81237
BVSYMRMSZGACBF-VOTSOKGWSA-N
- S 04005
MolClass #81238
ZWCPWUWEKYFEFG-UHFFFAOYSA-N
- S 04151
MolClass #81239
KJJYDECLTBAKCK-UHFFFAOYSA-N
- S 04201
MolClass #81240
NXNDMCPJAHKSPN-UHFFFAOYSA-N
- S 04213
MolClass #81241
CJHRHDHRCDOUFZ-SOFGYWHQSA-N
- S 04301
MolClass #81242
OERQCTVLGKJURQ-FNORWQNLSA-N
- S 04302
MolClass #81243
DBWBKROWASFCCD-VOTSOKGWSA-N
- S 04394
MolClass #81244
JHZCAULQGITDAV-UHFFFAOYSA-N
- S 04412
MolClass #81245
UUOHWLHXGPZSBK-UHFFFAOYSA-N
- S 04585
MolClass #81246
JTMRNNLDGAGYQJ-UHFFFAOYSA-N
- S 04788
MolClass #81247
ZTHZEDRPKCLGAR-UHFFFAOYSA-N
- S 05244
MolClass #81248
FYIYSVHMODMIHZ-FNORWQNLSA-N
- S 05525
MolClass #81249
GXQRAWTWDNHGBS-SNAWJCMRSA-N
- S 05784
MolClass #81250
ZNKMEDRTTCAOSU-UHFFFAOYSA-N
- S 06729
MolClass #81251
OSSFTHGZMNLASE-UHFFFAOYSA-N
- S 06736
MolClass #81252
QLDJXEMIAHBMSS-UHFFFAOYSA-N
- S 06777
MolClass #81253
SYJMYDMKPSZMSB-AATRIKPKSA-N
- S 07776
MolClass #81254
MZRSMIOAFFGTPS-UUHMWQSOSA-N
- S 07872
MolClass #81255
BHDOGCFCDZRPEM-VIWUVAGBSA-N
- S 08178
MolClass #81256
GJUKMKRKQZVHSR-MLBSPLJJSA-M
- S 08870
MolClass #81257
NAQDSXBKRYIEEM-UHFFFAOYSA-N
- S 09387
MolClass #81258
OXBAUQMVAZPIFA-UHFFFAOYSA-N
- S 09389
MolClass #81259
FHBLPSBHNPTLLW-UHFFFAOYSA-N
- S 09398
MolClass #81260
MXSCMJJGIVPRFR-UHFFFAOYSA-N
- S 09411
MolClass #81261
DZBWWFCXELLNDA-UHFFFAOYSA-N
- S 09528
MolClass #81262
YMQGHOIJNJOJOJ-UHFFFAOYSA-N
- S 09579
MolClass #81263
QMASWFVKDRJEDF-UHFFFAOYSA-N
- S 09668
MolClass #81264
NUOXMWHYKUBMNI-UHFFFAOYSA-N
- S 09759
MolClass #81265
MZOKHTDHXVAGFM-UHFFFAOYSA-N
- S 09951
MolClass #81266
CDNLWJKHJRCMDV-UHFFFAOYSA-N
- S 10006
MolClass #81267
QUYFLWCRFTXHIO-SOFGYWHQSA-N
- S 10379
MolClass #81268
GOZMYDAYGPERLQ-UHFFFAOYSA-N
- S 10385
MolClass #81269
BDGBXVVNYXIGQT-UHFFFAOYSA-N
- S 10606
MolClass #81270
JUGUCDBIOOLMTO-UHFFFAOYSA-N
- S 10775
MolClass #81271
HFKHRPZOEUWBPV-OWOJBTEDSA-N
- S 10886
MolClass #81272
MGVNRRKWHOSPTN-UXBLZVDNSA-N
- S 11269
MolClass #81273
FICXBPUIGVMZKE-UHFFFAOYSA-N
- S 11422
MolClass #81274
SFWMPLLFBKYUCF-UHFFFAOYSA-N
- S 11460
MolClass #81275
IRRZIWHEPWPPJF-AATRIKPKSA-N
- S 11753
MolClass #81276
FVKSRNVYJXQCLK-VOTSOKGWSA-N
- S 11816
MolClass #81277
ZAQYCITZNLAPDI-GQCTYLIASA-N
- S 11817
MolClass #81278
IAUBGYJDSOMRFE-UHFFFAOYSA-N
- S 11898
MolClass #81279
KSKLHQQKAFMWSA-VOTSOKGWSA-N
- S 12156
MolClass #81280
IJBGIPFDIABTKB-AATRIKPKSA-N
- S 12161
MolClass #81281
MKWMMNORRJNSKN-UHFFFAOYSA-N
- S 12378
MolClass #81282
LWFUFCYGHRBLDH-UHFFFAOYSA-N
- S 12401
MolClass #81283
DPJPKSRGGOQEPV-UHFFFAOYSA-N
- S 12414
MolClass #81284
YPKLTDKUUSUKIQ-UHFFFAOYSA-N
- S 12549
MolClass #81285
URODBIOXQDKVQS-UHFFFAOYSA-N
- S 12609
MolClass #81286
KRYUCWYKHXDVIC-UHFFFAOYSA-N
- S 12646
MolClass #81287
OARLEZKPXDTTNO-UHFFFAOYSA-N
- S 12653
MolClass #81288
LKRMOUHRAYRRAA-UHFFFAOYSA-N
- S 12685
MolClass #81289
COWWUDOIMZXGFM-XBXARRHUSA-N
- S 12686
MolClass #81290
BXZSJLYRQWPWJX-UHFFFAOYSA-N
- S 12847
MolClass #81291
CJENYVWFVWQVPS-UHFFFAOYSA-N
- S 12852
MolClass #81292
VAGFRJJEDBRUHE-UHFFFAOYSA-N
- S 12909
MolClass #81293
BMJBYWJCQGXHFI-SDNWHVSQSA-N
- S 13069
MolClass #81294
QNYNUXQOTWCDOQ-UHFFFAOYSA-N
- S 13071
MolClass #81295
FQJYLEOAHQVMED-UHFFFAOYSA-N
- S 13384
MolClass #81296
QPCFFVLOUPIHND-UHFFFAOYSA-N
- S 13652
MolClass #81297
XNVMVQGYUZPZRB-UHFFFAOYSA-N
- S 14008
MolClass #81298
ULHSXWIYINWWCK-UHFFFAOYSA-N
- S 14115
MolClass #81299
TYHVKSXMTXARPU-UHFFFAOYSA-N
- S 14118
MolClass #81300
HXJFFFROKPIVPM-UHFFFAOYSA-N
- S 14161
MolClass #81301
BFZXDHIUPNWOMT-UHFFFAOYSA-N
- S 14251
MolClass #81302
XZAZAEUKZVAXCB-UHFFFAOYSA-N
- S 14290
MolClass #81303
SVFNSVCKBNDOBC-UHFFFAOYSA-N
- S 14294
MolClass #81304
VKASYHNAFXBMRU-UHFFFAOYSA-N
- S 14371
MolClass #81305
PECLZIRCLUPWGS-UHFFFAOYSA-N
- S 14458
MolClass #81306
RFYYONHGWYGIPG-XNTDXEJSSA-N
- S 14474
MolClass #81307
KOHAAQZNKXPOID-UHFFFAOYSA-N