Molecule directory
Explore structures, source datasets and saved model predictions for molecules registered in MolClass.
Search by molecule name, identifier or structure →- 95170
MolClass #11201
XYBSIYMGXVUVGY-UHFFFAOYSA-N
- 94381
MolClass #11202
- 90866
MolClass #11203
UHRBDHPBCHWWAG-UHFFFAOYSA-N
- 83511
MolClass #11204
ZYIBVBKZZZDFOY-UHFFFAOYSA-N
- 81406
MolClass #11205
KRQSKMDJMSKNLA-UHFFFAOYSA-N
- 80733
MolClass #11206
KDVDMQVITMTCAH-UHFFFAOYSA-N
- 71166
MolClass #11207
HOUSDILKOJMENG-UHFFFAOYSA-N
- 66541
MolClass #11208
SLGRAIAQIAUZAQ-UHFFFAOYSA-N
- 61444
MolClass #11209
QAOWNCQODCNURD-UHFFFAOYSA-L
- 926667
MolClass #11210
MNHQVSWQTIPJII-UHFFFAOYSA-N
- 60663
MolClass #11211
- 60602
MolClass #11212
SVJMLYUFVDMUHP-XIFFEERXSA-N
- 53278
MolClass #11213
IAKHMKGGTNLKSZ-MRXNPFEDSA-N
- 39164
MolClass #11214
LHVRXAUETJRESN-ISLYRVAYSA-N
- 33755
MolClass #11215
YLKRUSPZOTYMAT-YFKPBYRVSA-N
- 26041
MolClass #11216
FGVVTMRZYROCTH-UHFFFAOYSA-M
- 26033
MolClass #11217
JOOMJVFZQRQWKR-UHFFFAOYSA-N
- 22586
MolClass #11218
JGXPJGJSAMZYBO-UHFFFAOYSA-N
- 14749
MolClass #11219
DGQLVPJVXFOQEV-NGOCYOHBSA-N
- 13816
MolClass #11220
PYPYDHUIORYEHW-HVMBLDELSA-L
- 13089
MolClass #11221
CVUGPAFCQJIYDT-UHFFFAOYSA-N
- 10771
MolClass #11222
IWRVPXDHSLTIOC-FOCLMDBBSA-N
- 10367
MolClass #11223
WJJMNDUMQPNECX-UHFFFAOYSA-N
- 7028
MolClass #11224
KWGRBVOPPLSCSI-WCBMZHEXSA-N
- 6529
MolClass #11225
BOSMZFBHAYFUBJ-UHFFFAOYSA-N
- 5569
MolClass #11226
ZSDSQXJSNMTJDA-UHFFFAOYSA-N
- 5175
MolClass #11227
MJMJERJFCHYXEM-UHFFFAOYSA-N
- 2596
MolClass #11228
YZQJGPPACTZUKY-UHFFFAOYSA-N
- 2396
MolClass #11229
- 3232765
MolClass #11230
VQRKNRSPFPTZQW-UHFFFAOYSA-N
- 3234985
MolClass #11231
OPANDORMLSDZSX-OAHLLOKOSA-N
- 2982188
MolClass #11232
GCPHCFPPIMCYCR-UHFFFAOYSA-N
- 2236117
MolClass #11233
SVZOQHBODANSRT-UHFFFAOYSA-N
- 2224029
MolClass #11234
XGOOKWDXDCKQPV-UHFFFAOYSA-N
- 3234352
MolClass #11235
COPIIRNBAOCVFX-UHFFFAOYSA-N
- 3234495
MolClass #11236
LLAMMEOPJZSJEG-UHFFFAOYSA-N
- 2369627
MolClass #11237
NDZYDBLDEGHKTQ-UHFFFAOYSA-N
- 3240951
MolClass #11238
BDGJMLNTYMATSJ-UHFFFAOYSA-N
- 3234619
MolClass #11239
WVYHQIJTWXPBOQ-GOSISDBHSA-N
- 739397
MolClass #11240
UZJLGSCFBMOGAY-UHFFFAOYSA-N
- 1300454
MolClass #11241
DGYDBRLIGIMELQ-UHFFFAOYSA-N
- 2079835
MolClass #11242
RQIVBXOLNBQBLK-UHFFFAOYSA-N
- 3241642
MolClass #11243
RIFRIEOIRXOTJV-UHFFFAOYSA-N
- 925735
MolClass #11244
DANKTKKLNXAGKW-UHFFFAOYSA-N
- 3234247
MolClass #11245
SJSDZCOSPSTFSK-UHFFFAOYSA-N
- 2103436
MolClass #11246
JAEFOXANNAAWMF-UHFFFAOYSA-N
- 656138
MolClass #11247
OFMOFULREKAFDM-UHFFFAOYSA-N
- 1893221
MolClass #11248
XOMDPCJPFXWCAJ-UHFFFAOYSA-N
- 3245383
MolClass #11249
ZIJDGZRQPGLGMG-UHFFFAOYSA-N
- 2256886
MolClass #11250
NNBSYRBWBWXGLN-UHFFFAOYSA-N
- 5771794
MolClass #11251
LHLXXPZNGGZUDT-RIYZIHGNSA-N
- 1379435
MolClass #11252
SQOOOVPRBAGELK-UHFFFAOYSA-N
- 1293360
MolClass #11253
ZQTWPRNRDAQXJL-UHFFFAOYSA-N
- 646735
MolClass #11254
IANULKJFHGLGOX-UHFFFAOYSA-N
- 886632
MolClass #11255
LRBFWOJCUCINJG-UHFFFAOYSA-N
- 654624
MolClass #11256
JXJOUYQWFSEAKQ-UHFFFAOYSA-N
- 1259459
MolClass #11257
KOPQASWKMJJGQE-UHFFFAOYSA-N
- 1913234
MolClass #11258
SMQNSIZHFWMJTC-XSFVSMFZSA-N
- 3003634
MolClass #11259
FCSVXKZFDYAYGQ-UHFFFAOYSA-O
- 1913236
MolClass #11260
LAVMWJBTRDLUBD-XMHGGMMESA-N
- 3105836
MolClass #11261
RUGPWTLGSUWTQF-UHFFFAOYSA-N
- 1913232
MolClass #11262
DVVLESVKJXGQMK-RMKNXTFCSA-N
- 1913229
MolClass #11263
DMNFPFRZVFTXNG-NYYWCZLTSA-N
- 1913210
MolClass #11264
IMXJIBCYHQNBOP-XNTDXEJSSA-N
- 1111875
MolClass #11265
UYVBQHDPGPQTCJ-UHFFFAOYSA-N
- 1952138
MolClass #11266
YOANMJLQCRRBOI-UHFFFAOYSA-N
- 1913227
MolClass #11267
GRWIZXASAOKOEZ-GXDHUFHOSA-N
- 1913208
MolClass #11268
OXFQFCDTVMAGCJ-NTEUORMPSA-N
- 1913222
MolClass #11269
MBXGUVQOTIIEGX-UHFFFAOYSA-N
- 1913228
MolClass #11270
VISLUSLXCVLVTQ-RIYZIHGNSA-N
- 1913243
MolClass #11271
AATDDQRHRXCYGD-UHFFFAOYSA-N
- 1913230
MolClass #11272
FMIVOPRNBGRDKP-WOJGMQOQSA-N
- 1288008
MolClass #11273
UZBDZOOFDBEQQY-UHFFFAOYSA-N
- 1913248
MolClass #11274
QKRFNBBGIYFDKM-UHFFFAOYSA-N
- 1913256
MolClass #11275
AJOCFOTYYPUXLO-WEVVVXLNSA-N
- 1913257
MolClass #11276
BWDZQBFGJQBJFT-LFIBNONCSA-N
- 1913258
MolClass #11277
WMQLRTQCDXAEPQ-WEVVVXLNSA-N
- 1267778
MolClass #11278
IUWQYMDPRUPDGB-UHFFFAOYSA-N
- 1913260
MolClass #11279
QIPRHNDVFDBVKK-FYWRMAATSA-N
- 3003680
MolClass #11280
CBZMISKYBRZYNJ-UHFFFAOYSA-N
- 1913264
MolClass #11281
GQDXQDWDWXXKQR-WYMLVPIESA-N
- 1653424
MolClass #11282
MGXHLCANMKGZNB-UHFFFAOYSA-N
- 1913268
MolClass #11283
TZEJOWSTCUJPRP-UHFFFAOYSA-N
- 1913273
MolClass #11284
KOMZLILATJIPPD-XPKROWLPSA-N
- 1332763
MolClass #11285
XTZXAJDGUGWRHF-UHFFFAOYSA-N
- 1913275
MolClass #11286
OUJNCFLRBWPNGB-RVDMUPIBSA-N
- 1913277
MolClass #11287
PELKFTHIRBHGRQ-BLOSECNYSA-N
- 1125894
MolClass #11288
GWNRJFTZPSCRAY-UHFFFAOYSA-N
- 1913279
MolClass #11289
GFUMNEQPQSXELK-OGASSDKTSA-N
- 1619611
MolClass #11290
CZNBTVYUABVPPG-UHFFFAOYSA-N
- 1913209
MolClass #11291
JFVWOEIMTLSAAO-XNTDXEJSSA-N
- 1729986
MolClass #11292
LWTBUSKGBRAQIA-UHFFFAOYSA-N
- 1913287
MolClass #11293
MYAGSXBNXBWFHH-HYARGMPZSA-N
- 1913288
MolClass #11294
- 1913289
MolClass #11295
RMCGJWDIUQUKMS-JJIBRWJFSA-N
- 1575815
MolClass #11296
WHAUUXSDBWMIBV-UHFFFAOYSA-N
- 1913290
MolClass #11297
- 1480672
MolClass #11298
AWJWGOKQJAYMCF-UHFFFAOYSA-N
- 1913206
MolClass #11299
BYHNHDIOEVRDLV-OVCLIPMQSA-N
- 1913292
MolClass #11300
PAPSYTMCNXRNME-UHFFFAOYSA-N