Molecule directory
Explore structures, source datasets and saved model predictions for molecules registered in MolClass.
Search by molecule name, identifier or structure →- 1953717
MolClass #17201
IRJLZHQBWAUKGA-UHFFFAOYSA-N
- 1635005
MolClass #17202
ULFPACKKSJHNIT-UHFFFAOYSA-N
- 1939477
MolClass #17203
VGCCSWWTJFPQGV-FLIBITNWSA-N
- 1742082
MolClass #17204
YXVYRMDNIFLLPI-UHFFFAOYSA-N
- 3022550
MolClass #17205
NZCGKUQFRUXAGS-LICLKQGHSA-N
- 1943210
MolClass #17206
XFQBLARUZHOXDO-UHFFFAOYSA-N
- 1541871
MolClass #17207
IMRHKRHFMUGVSF-UHFFFAOYSA-N
- 1708231
MolClass #17208
- 2070354
MolClass #17209
YOFYEAOIQRBXFY-UHFFFAOYSA-N
- 1172488
MolClass #17210
- 1921219
MolClass #17211
OUMHBECESZSWKK-UHFFFAOYSA-N
- 1932176
MolClass #17212
- 1516212
MolClass #17213
- 1931501
MolClass #17214
ZSHIKKBLHJKDSJ-GZTJUZNOSA-N
- 1937782
MolClass #17215
NOTXKABNVWNKCI-CAOOACKPSA-N
- 1774586
MolClass #17216
PPOPUOCWGFZYQX-UHFFFAOYSA-N
- 2068324
MolClass #17217
NGVLXRBIJYFIFM-PEZBUJJGSA-N
- 1419744
MolClass #17218
HRZBKBLORLIJKR-UHFFFAOYSA-N
- 1980484
MolClass #17219
NWMOJBLCQMUUTA-SXGWCWSVSA-N
- 1985818
MolClass #17220
FMBIQRHDCJYRLS-UHFFFAOYSA-N
- 1913723
MolClass #17221
YTYBJPIUORONGK-UHFFFAOYSA-N
- 1171699
MolClass #17222
IAFNYKJKKSTBCL-UHFFFAOYSA-N
- 1911657
MolClass #17223
XBSXHYZDANRNJE-UHFFFAOYSA-N
- 3029687
MolClass #17224
HEENXPUZZKVNLJ-UHFFFAOYSA-N
- 2062167
MolClass #17225
WIYIHXHWMONCNB-UHFFFAOYSA-N
- 1971598
MolClass #17226
OTGMMIRJIMARJB-UHFFFAOYSA-N
- 1702432
MolClass #17227
RCSGZXWBTFQZGP-UHFFFAOYSA-N
- 1526780
MolClass #17228
QELIXOYLEJDYGT-UHFFFAOYSA-N
- 1483046
MolClass #17229
- 3033446
MolClass #17230
LCSVPVLHUMFBLS-UHFFFAOYSA-N
- 1933146
MolClass #17231
NJOGXYXOJGLTOK-KPKJPENVSA-N
- 1921682
MolClass #17232
LQMJHALHNKMARW-UHFFFAOYSA-N
- 1929697
MolClass #17233
PPIFZCJEGHGAME-GHRIWEEISA-N
- 2061990
MolClass #17234
FOTWJUUSRHQHDE-UHFFFAOYSA-N
- 1776739
MolClass #17235
- 3034024
MolClass #17236
JEPKANHSNVJXDY-UHFFFAOYSA-N
- 1983432
MolClass #17237
OTTCVULUAJCKFB-NTUHNPAUSA-N
- 1676366
MolClass #17238
QERVLMFEJQUIMV-UHFFFAOYSA-N
- 1982908
MolClass #17239
POAYAXYAHFPDJA-UHFFFAOYSA-N
- 1987228
MolClass #17240
- 2068759
MolClass #17241
HHXSTZSRZFEUPO-UHFFFAOYSA-N
- 1569551
MolClass #17242
GNNICPYNVXYZPH-UHFFFAOYSA-N
- 2070423
MolClass #17243
DBFIPWMJVSAPCY-UHFFFAOYSA-N
- 1134862
MolClass #17244
DUDFYHSDBANYJX-UHFFFAOYSA-N
- 1972622
MolClass #17245
QBXGWRFOIURBCF-UHFFFAOYSA-N
- 1979913
MolClass #17246
DJXROCSDUAQKDR-UHFFFAOYSA-N
- 1980906
MolClass #17247
QVBOMUPLBUXHLH-UHFFFAOYSA-N
- 1977243
MolClass #17248
XGOCTASFFCFPOK-UHFFFAOYSA-N
- 1643537
MolClass #17249
WSXGICXFOHUKBU-UHFFFAOYSA-N
- 1925641
MolClass #17250
- 2066357
MolClass #17251
YFRZROIZOHWZNR-UHFFFAOYSA-N
- 1983928
MolClass #17252
- 3123277
MolClass #17253
ATQNBPSHYLXBCS-UHFFFAOYSA-N
- 2070337
MolClass #17254
XLTBWSVTKQDHQU-VQHVLOKHSA-N
- 1942195
MolClass #17255
JCVDICFLPGDHAT-IWSPIJDZSA-N
- 1937589
MolClass #17256
HAJHYOKBZIIJSA-UHFFFAOYSA-N
- 1088192
MolClass #17257
VWHKAOILSLADJS-UHFFFAOYSA-N
- 1014053
MolClass #17258
- 1273015
MolClass #17259
BYDMLKKSJVJHPA-UHFFFAOYSA-N
- 1985938
MolClass #17260
OYVOSMIYRIFHGB-UHFFFAOYSA-N
- 3028194
MolClass #17261
GLUWNRBIJIKHON-UHFFFAOYSA-N
- 1953853
MolClass #17262
XKQJVBSDCOCZFV-UHFFFAOYSA-N
- 1982176
MolClass #17263
UJXGQTSCGXDWSB-UHFFFAOYSA-N
- 2063008
MolClass #17264
LNSYCMJYJFCXAD-UHFFFAOYSA-N
- 1495550
MolClass #17265
NTZOUJJCRUXENE-UHFFFAOYSA-N
- 1912108
MolClass #17266
VFEPFYSOVIHKJV-UHFFFAOYSA-N
- 1915737
MolClass #17267
KPULDRWQUXVEGP-SNAWJCMRSA-N
- 1939517
MolClass #17268
QXXRXVPASDTWJT-UHFFFAOYSA-N
- 1934997
MolClass #17269
LPBYNXLPYFGMPH-UHFFFAOYSA-N
- 1926721
MolClass #17270
RFOMEEFBOIANOJ-UHFFFAOYSA-N
- 1928642
MolClass #17271
ZKWYUQGQSCRNLC-UHFFFAOYSA-N
- 2021444
MolClass #17272
FKWOQKZBYPFBLC-APJNYFBKSA-N
- 1947822
MolClass #17273
PFPMIKYWOXSUFN-UHFFFAOYSA-N
- 1389989
MolClass #17274
GAQAMLVCSSFPBQ-UHFFFAOYSA-N
- 1931342
MolClass #17275
RDEZUZJQSMCZLW-ZSOIEALJSA-N
- 1913107
MolClass #17276
WPLRLBWHEXAKJP-UHFFFAOYSA-N
- 1921732
MolClass #17277
DPBLLGQBAJCGJW-UHFFFAOYSA-N
- 3020545
MolClass #17278
XATVXBOTVPGJPS-CLFYSBASSA-N
- 1127798
MolClass #17279
LENXQJQKQUFHOY-UHFFFAOYSA-N
- 2066663
MolClass #17280
BXQDARSSZJAHJI-UHFFFAOYSA-N
- 1014409
MolClass #17281
DUOCQDQMSWPLKI-UHFFFAOYSA-N
- 1950869
MolClass #17282
GBPOSTNVMXAPKH-DUXPYHPUSA-N
- 2061593
MolClass #17283
KNGZSCMUQIROQK-SDNWHVSQSA-N
- 1253210
MolClass #17284
YZOQTINITZAKRM-UHFFFAOYSA-N
- 1932276
MolClass #17285
WBKRRJCLHBGPOH-CXUHLZMHSA-N
- 1986743
MolClass #17286
YSZABPVJMGGLLD-UHFFFAOYSA-N
- 1244385
MolClass #17287
LQOFYZNLENVWIC-UHFFFAOYSA-N
- 3123927
MolClass #17288
BAWCGFMXNWLZJG-UHFFFAOYSA-N
- 2138968
MolClass #17289
UYSGNOBKJFJDGZ-MBUVEZHMSA-N
- 1314835
MolClass #17290
NMJHZHKTSMHXJI-UHFFFAOYSA-N
- 3030869
MolClass #17291
JEFBEYAYFLKODG-UHFFFAOYSA-N
- 1170678
MolClass #17292
OTPXFDNEIWKIRR-UHFFFAOYSA-N
- 1976711
MolClass #17293
HQPGVCZKDDRGTL-UHFFFAOYSA-N
- 3024437
MolClass #17294
QYKBGSDOMATGLR-UHFFFAOYSA-N
- 1587031
MolClass #17295
UVJQMYDWPIZQDI-UHFFFAOYSA-N
- 2060226
MolClass #17296
KMJPKUVSXFVQGZ-WQLSNUALSA-N
- 1613693
MolClass #17297
ITHRMVSNVPHPCR-UHFFFAOYSA-N
- 1989333
MolClass #17298
NKHFPPQOFJMSST-UHFFFAOYSA-N
- 1139511
MolClass #17299
IKOOIAQNZCTPEI-UHFFFAOYSA-N
- 1911522
MolClass #17300
QXTRKVVFQXNLMU-UHFFFAOYSA-N