Molecule directory
Explore structures, source datasets and saved model predictions for molecules registered in MolClass.
Search by molecule name, identifier or structure →- KM 01284
MolClass #80508
OUDGEPLJFYNSQR-UHFFFAOYSA-N
- KM 02190
MolClass #80509
RQMFVTNNPMZLGA-YBFXNURJSA-N
- KM 02224
MolClass #80510
KUKMSTXYWGZWIX-QGOAFFKASA-N
- KM 03772
MolClass #80511
DGUPHCSPEOXZBT-UHFFFAOYSA-N
- KM 03965
MolClass #80512
JUBHGXPSTXTUDV-UHFFFAOYSA-N
- KM 04019
MolClass #80513
PITUUMLWPUJCBM-UHFFFAOYSA-N
- KM 04031
MolClass #80514
HWSDLZCLVHPENZ-YBFXNURJSA-N
- KM 04069
MolClass #80515
CNHZMWUMBPQCFX-YZSQISJMSA-N
- KM 04680
MolClass #80516
CVWPMWGKYHDQNK-UHFFFAOYSA-N
- KM 04879
MolClass #80517
FZEHEKCRHULDBS-LPYMAVHISA-N
- KM 04991
MolClass #80518
SQHJMHGJKRWWON-UHFFFAOYSA-N
- KM 05302
MolClass #80519
LTJVUQAJBRPZNT-UHFFFAOYSA-N
- KM 05362
MolClass #80520
- KM 05490
MolClass #80521
ZCECLTKZUPNBJK-UHFFFAOYSA-N
- KM 05872
MolClass #80522
CBIWCSPBAAKJPN-UHFFFAOYSA-N
- KM 05978
MolClass #80523
YPUOKOQXDIJFQI-UHFFFAOYSA-N
- KM 05992
MolClass #80524
JBQFMUDHUIBAML-UFWORHAWSA-N
- KM 06072
MolClass #80525
JOCRUDXWEQHPFV-UHFFFAOYSA-N
- KM 06357
MolClass #80526
XSKWKVOHQIPOGU-UHFFFAOYSA-N
- KM 06408
MolClass #80527
UKILUZOTKWVPNQ-UHFFFAOYSA-N
- KM 06508
MolClass #80528
ZAVYUZMQQGXMPG-UHFFFAOYSA-N
- KM 06598
MolClass #80529
SPWWSZMFUALQFQ-UHFFFAOYSA-N
- KM 06623
MolClass #80530
NNUVYMJTYNLOMM-DOELHFPHSA-N
- KM 06760
MolClass #80531
ZJGFSNBKSVEAHV-UHFFFAOYSA-N
- KM 06859
MolClass #80532
HBFIGRZWORPLGB-UHFFFAOYSA-N
- KM 06944
MolClass #80533
BNBQJIJARROBBZ-XMHGGMMESA-N
- KM 06947
MolClass #80534
JMTJPWZIWCGPGQ-GXDHUFHOSA-N
- KM 06986
MolClass #80535
JYETWLALKZCIMN-UHFFFAOYSA-N
- KM 07115
MolClass #80536
VQEGHBUQNBKNNQ-UHFFFAOYSA-N
- KM 07522
MolClass #80537
IFFWOKLECCQBCL-UHFFFAOYSA-N
- KM 07972
MolClass #80538
QHIBDLKKCVOKOK-UHFFFAOYSA-N
- KM 08103
MolClass #80539
WHVLHSVHBIQKCT-SSDVNMTOSA-N
- KM 08197
MolClass #80540
ZBCDNEFWYPYAGB-UHFFFAOYSA-N
- KM 08240
MolClass #80541
LGBATHUXSKEMNU-UHFFFAOYSA-N
- KM 08355
MolClass #80542
KGPMLVKCIVLHGU-UHFFFAOYSA-N
- KM 08451
MolClass #80543
AVHNCQQZHSQXQP-XDHOZWIPSA-N
- KM 08487
MolClass #80544
- KM 08488
MolClass #80545
- KM 08871
MolClass #80546
QUDPFNRHCIUVKC-UHFFFAOYSA-N
- KM 09016
MolClass #80547
MMTHNXYDVLSBGG-UHFFFAOYSA-N
- KM 09853
MolClass #80548
- KM 10126
MolClass #80549
AFUZQYLSDYPRHQ-UHFFFAOYSA-N
- KM 10261
MolClass #80550
YNGWGTOZIMTDTA-UHFFFAOYSA-N
- KM 10431
MolClass #80551
HECLHELGVHQAQM-UHFFFAOYSA-N
- KM 10664
MolClass #80552
WZDMYDFXNZUQRL-UHFFFAOYSA-N
- KM 11032
MolClass #80553
- KM 11072
MolClass #80554
SGYXYQQGWNUEIG-UHFFFAOYSA-N
- KM 11083
MolClass #80555
CFLUOLGPHKIVNJ-UHFFFAOYSA-N
- MGH 00152
MolClass #80556
KJRXTDZKSMARIF-UHFFFAOYSA-N
- MGH 00233
MolClass #80557
ZNLKZVKONORGFH-UHFFFAOYSA-N
- ML 00034
MolClass #80558
RXKADFJCLBSXHS-UHFFFAOYSA-N
- ML 00059
MolClass #80559
YYMINFQXQJAXRJ-UHFFFAOYSA-N
- ML 00079
MolClass #80560
BVRVWXVZPJTFSK-UHFFFAOYSA-N
- ML 00080
MolClass #80561
PZBYOYOPSLROQJ-UHFFFAOYSA-N
- ML 00220
MolClass #80562
MVKVCPOZAMQBKR-WLRTZDKTSA-N
- ML 00239
MolClass #80563
WYZUTIYBOUOGSN-UHFFFAOYSA-N
- MWP 00545
MolClass #80564
CIOZAKSMWKJWJU-UHFFFAOYSA-N
- MWP 00898
MolClass #80565
GSTULNGHGHFFKQ-AQTBWJFISA-N
- MWP 00918
MolClass #80566
FRNLBCQCRQRWHG-UHFFFAOYSA-N
- NH 00308
MolClass #80567
NWKAAWRLKQJWIP-UHFFFAOYSA-N
- NH 00472
MolClass #80568
CTCRZPXREJLTQO-OMCISZLKSA-N
- NH 00699
MolClass #80569
JJNYLPZFIRIGGB-UHFFFAOYSA-N
- P 00093
MolClass #80570
MQKAYCNNJFDVDE-BQYQJAHWSA-N
- PD 00357
MolClass #80571
MMBJVDQUZFDSAC-LICLKQGHSA-N
- PD 00616
MolClass #80572
MEWZJORQFBIFGA-UHFFFAOYSA-N
- PD 00617
MolClass #80573
RFNABVWZJSSADV-UHFFFAOYSA-N
- PD 00637
MolClass #80574
FIESQCIIHMUSLD-UHFFFAOYSA-N
- PHG 00723
MolClass #80575
- PHG 00954
MolClass #80576
JMDFYXUQOUNOMN-UHFFFAOYSA-N
- RB 00030
MolClass #80577
HPYGVQVYBLTAJP-UHFFFAOYSA-N
- RDR 00184
MolClass #80578
MVHMWLMRWSUVPI-ICFOKQHNSA-N
- XAX 00144
MolClass #80579
HJVJLIKZXOIBIS-UHFFFAOYSA-N
- RDR 00803
MolClass #80580
MZVWNSPJIZHZPA-GZTJUZNOSA-N
- RDR 00835
MolClass #80581
YENVFLFGMBLPBX-UHFFFAOYSA-N
- RDR 00909
MolClass #80582
LPOUICRMYKUGGG-LHHJGKSTSA-N
- RDR 00913
MolClass #80583
HGXKXDKNVTYHMG-UHFFFAOYSA-N
- RDR 01044
MolClass #80584
GUMCVDHVBVWEJG-UHFFFAOYSA-N
- RDR 01070
MolClass #80585
KTCZPVMDPQRDKL-GIDUJCDVSA-N
- RDR 01178
MolClass #80586
- RDR 01267
MolClass #80587
OEKAYQSWYXVWNL-DNTJNYDQSA-N
- RDR 01299
MolClass #80588
IKRWIBUOFJWQPB-AUEPDCJTSA-N
- RDR 01685
MolClass #80589
FZZHPRWZVTWOAG-UHFFFAOYSA-N
- RDR 01792
MolClass #80590
QTZSLPHYWFXHNY-UHFFFAOYSA-N
- RDR 01818
MolClass #80591
KNDXRSHNJYVDFS-UHFFFAOYSA-N
- RDR 02630
MolClass #80592
CDAYUWNNHWEOIN-UHFFFAOYSA-N
- RDR 03667
MolClass #80593
ADZFWSYXSMECPW-UHFFFAOYSA-N
- RDR 03804
MolClass #80594
IJTYFFBYPMOFBV-UHFFFAOYSA-N
- RF 00040
MolClass #80595
HWUGVHQMXVTJFH-UHFFFAOYSA-N
- RF 00797
MolClass #80596
YHMBFYRSMPWKEN-UHFFFAOYSA-N
- RF 01585
MolClass #80597
VFIQKAQJODZPOH-UHFFFAOYSA-N
- RF 01765
MolClass #80598
LAHKFRZLZXRDSD-UHFFFAOYSA-N
- RF 02458
MolClass #80599
RZZDNBXEPDQKFQ-UHFFFAOYSA-N
- RF 02465
MolClass #80600
FMRSAPLAAREXGB-UHFFFAOYSA-N
- RF 03485
MolClass #80601
DEUKFNXOABSHHM-UHFFFAOYSA-N
- RF 03487
MolClass #80602
AZRSDCACETWUDH-UHFFFAOYSA-N
- RF 03928
MolClass #80603
IDSSPCBZANWIRZ-XDHOZWIPSA-N
- RF 03973
MolClass #80604
NWAHKFHEVPENAD-UHFFFAOYSA-N
- RF 04939
MolClass #80605
MAGWZBFAPPIJIO-UHFFFAOYSA-N
- RF 05131
MolClass #80606
OERHYLCKDCINNT-UHFFFAOYSA-N
- RF 05472
MolClass #80607
PCHJJOZLBGBBDM-UHFFFAOYSA-N