Molecule directory
Explore structures, source datasets and saved model predictions for molecules registered in MolClass.
Search by molecule name, identifier or structure →- DP 01417
MolClass #80408
KALLHLUJRCWQGX-UHFFFAOYSA-N
- DP 01887
MolClass #80409
YFBBLPMKWMGEMK-CNHKJKLMSA-N
- DP 01888
MolClass #80410
AKEMLCRHZIXMAJ-CAOOACKPSA-N
- DP 02004
MolClass #80411
ZEOAOTRMQPJDQG-BMRADRMJSA-N
- DSHS 00540
MolClass #80412
BZNLOUUIVVPNRJ-UHFFFAOYSA-N
- EN 00070
MolClass #80413
JWNKGQSMXKCUEH-UHFFFAOYSA-N
- FM 00211
MolClass #80414
HTGMGFJTVHNOND-UHFFFAOYSA-N
- FM 00217
MolClass #80415
PRNSUJCXOCSNAQ-JLHYYAGUSA-N
- FM 00281
MolClass #80416
BHNOUBHGLGPVJN-UHFFFAOYSA-N
- GK 00860
MolClass #80417
JVYDCQNMMULBIL-HNQUOIGGSA-N
- GK 00898
MolClass #80418
FLEBTYBNWFEZOJ-UHFFFAOYSA-N
- GK 01594
MolClass #80419
HPTPCHXBSPTQRG-UHFFFAOYSA-N
- GK 02006
MolClass #80420
PXICKOGZWJTPIR-UHFFFAOYSA-N
- GK 02221
MolClass #80421
QZMTYTFYTDJJMQ-NGYBGAFCSA-N
- GK 02386
MolClass #80422
KBEMOBCGVSALRS-UHFFFAOYSA-N
- GK 02445
MolClass #80423
SZFCJTZLVRJGHD-UHFFFAOYSA-N
- GK 02598
MolClass #80424
OADFZEVFKPAULQ-UHFFFAOYSA-N
- GK 02688
MolClass #80425
QIHGHZIQHFLWSP-UHFFFAOYSA-N
- GK 02714
MolClass #80426
JGRCAJSNYPTOHO-UHFFFAOYSA-N
- GK 02719
MolClass #80427
OVNIMORJXCMHKU-UHFFFAOYSA-N
- GK 03380
MolClass #80428
XSCMNQGFHHGUOU-GFCCVEGCSA-N
- HAN 00069
MolClass #80429
KCKINBWHFPKNLY-UHFFFAOYSA-N
- HAN 00369
MolClass #80430
IXSWFOKLLLVEJO-UHFFFAOYSA-N
- HAN 00373
MolClass #80431
VXJKSHGQYVEYMB-UHFFFAOYSA-N
- HAN 00388
MolClass #80432
LMGHHFWRCFCYMC-UHFFFAOYSA-N
- HTS 00002
MolClass #80433
ZXQVKHXNVHRVBD-UHFFFAOYSA-N
- HTS 00945
MolClass #80434
MUCUANVGILHRCD-UHFFFAOYSA-N
- HTS 01021
MolClass #80435
KRHGLEYNYMDZLW-UHFFFAOYSA-N
- HTS 01155
MolClass #80436
CRHOSTMLBFPCJJ-UHFFFAOYSA-N
- HTS 01365
MolClass #80437
VXKQTBWNLBELDF-UHFFFAOYSA-N
- HTS 01522
MolClass #80438
CLKFZFXABRSTRU-UHFFFAOYSA-N
- HTS 01707
MolClass #80439
ZNJIBFPWVMAJLM-UHFFFAOYSA-N
- HTS 01770
MolClass #80440
SDUCMVTXSUAROP-UHFFFAOYSA-N
- HTS 01796
MolClass #80441
YUTJHSOHNKPDDP-UHFFFAOYSA-N
- HTS 02290
MolClass #80442
ZNQUQWGFIOFWNM-UHFFFAOYSA-N
- HTS 02696
MolClass #80443
BXTMGGRLCOIKFQ-UHFFFAOYSA-N
- HTS 03200
MolClass #80444
- HTS 03395
MolClass #80445
ZRGQIHGDPUGPBC-UHFFFAOYSA-N
- HTS 03640
MolClass #80446
OYCFXLRURGTPEJ-UHFFFAOYSA-N
- HTS 03642
MolClass #80447
QXQIEHRCZXQXLA-UHFFFAOYSA-N
- HTS 03649
MolClass #80448
QZOLMPHZKRWIEW-UHFFFAOYSA-N
- HTS 03658
MolClass #80449
AVBWBWACJZWPJQ-UHFFFAOYSA-N
- HTS 03826
MolClass #80450
JTBMRDKIPGSWTG-UHFFFAOYSA-N
- HTS 03872
MolClass #80451
PQLIGIYUBVJYPG-UHFFFAOYSA-N
- HTS 03942
MolClass #80452
UIRLGQJIMNWMFZ-WLHGVMLRSA-N
- HTS 04041
MolClass #80453
JLOGRSGTULPSBZ-UHFFFAOYSA-N
- HTS 04228
MolClass #80454
SWNIRCZZQPXJLQ-UHFFFAOYSA-N
- HTS 04271
MolClass #80455
JQZJBCTZEYCSBI-UHFFFAOYSA-N
- HTS 04496
MolClass #80456
JCXAVMPKGAGLNX-UHFFFAOYSA-N
- HTS 05029
MolClass #80457
WLARYWMNUKSZGW-UHFFFAOYSA-N
- HTS 05109
MolClass #80458
ZWMGAYGYCXYGJO-UHFFFAOYSA-N
- HTS 05340
MolClass #80459
ZZLOYHKRESEIBS-UHFFFAOYSA-N
- HTS 05532
MolClass #80460
WJCQHSJDZSYKML-UHFFFAOYSA-N
- HTS 05534
MolClass #80461
BWHKFQLAZFINNK-UHFFFAOYSA-N
- HTS 05535
MolClass #80462
IYNFACRUDHKLEW-UHFFFAOYSA-N
- HTS 05647
MolClass #80463
GHHWTWKLUMGZGG-UHFFFAOYSA-N
- HTS 05668
MolClass #80464
UQRNNANTQBXMBU-UHFFFAOYSA-N
- HTS 06154
MolClass #80465
ZBKJTPTXHSHUEO-UHFFFAOYSA-N
- HTS 06155
MolClass #80466
YJRFPZRRRJKFKU-UHFFFAOYSA-N
- HTS 06168
MolClass #80467
ITCNQWACJZBXOX-UHFFFAOYSA-N
- HTS 06170
MolClass #80468
PSMQDNGIUXIPQH-UHFFFAOYSA-N
- HTS 06460
MolClass #80469
SEMIJTPGJZFQIV-UHFFFAOYSA-N
- HTS 06578
MolClass #80470
ITOVUTCMKDINFK-UHFFFAOYSA-N
- HTS 06803
MolClass #80471
- HTS 07278
MolClass #80472
NMWAPJFAOYBCIU-UHFFFAOYSA-N
- HTS 07280
MolClass #80473
IHXCPOUKJROXJU-UHFFFAOYSA-N
- HTS 07682
MolClass #80474
JIJLSRRCZFOXKO-UHFFFAOYSA-N
- HTS 08734
MolClass #80475
VXOVVCHAGPJOQR-UHFFFAOYSA-N
- HTS 09993
MolClass #80476
CTOLJPMBGOTPEK-UHFFFAOYSA-N
- JA 00093
MolClass #80477
HGVZIVPEFORADV-CNHKJKLMSA-N
- JA 00122
MolClass #80478
XVFKTKNVDOPQLA-RQZCQDPDSA-N
- JFD 00022
MolClass #80479
VLKXRBLLYPDQFY-GDNBJRDFSA-N
- JFD 00150
MolClass #80480
RMBWWDVYAYUVTR-UHFFFAOYSA-N
- JFD 00422
MolClass #80481
RZQGSAYGAURZMD-UHFFFAOYSA-N
- JFD 01192
MolClass #80482
ZVHVMRPVYXWTSW-UHFFFAOYSA-N
- JFD 01755
MolClass #80483
FMGSKLZLMKYGDP-ZQLQEUJZSA-N
- JFD 01898
MolClass #80484
JRSLAXDKWLZOMY-UHFFFAOYSA-N
- JFD 01986
MolClass #80485
RLXJVCWHBHVJMS-UHFFFAOYSA-N
- JFD 02062
MolClass #80486
ITMYHNMTEHQSEW-UHFFFAOYSA-N
- JFD 02125
MolClass #80487
RHILJJYQHLUIJZ-UHFFFAOYSA-N
- JFD 02331
MolClass #80488
CNAVPEPPAVHHKN-UHFFFAOYSA-N
- JFD 02393
MolClass #80489
WBNIZGNJORQFLR-UHFFFAOYSA-N
- JFD 02584
MolClass #80490
DJQHSGXNDXYBBS-UHFFFAOYSA-N
- JFD 03027
MolClass #80491
RXUZNXFHFOJPNZ-GZTJUZNOSA-N
- JFD 03028
MolClass #80492
RDIZUWNOCFCTBL-GIJQJNRQSA-N
- JFD 03033
MolClass #80493
MTWJVOGOLYAWDL-LICLKQGHSA-N
- JFD 03155
MolClass #80494
- JP 00336
MolClass #80495
JQOCINUGFIYVPF-KRXBUXKQSA-N
- JP 00414
MolClass #80496
KCOGAKJXPQIORJ-UHFFFAOYSA-N
- JP 00451
MolClass #80497
ZJOATHLJOLIESV-UHFFFAOYSA-N
- JP 00697
MolClass #80498
JGCWPFNPSPTELC-UHFFFAOYSA-N
- KM 00261
MolClass #80499
ACIOEOYCEYRAEV-UHFFFAOYSA-N
- KM 00369
MolClass #80500
GQAPBPRFQIFNNV-LFIBNONCSA-N
- KM 00512
MolClass #80501
- KM 00593
MolClass #80502
KHRAESRFTNGRFQ-UHFFFAOYSA-N
- KM 00694
MolClass #80503
HVZJIRSUEDKKGG-XMHGGMMESA-N
- KM 00792
MolClass #80504
RQYDKKSGAOHYPI-UHFFFAOYSA-N
- KM 00799
MolClass #80505
FDWJVAMEZPQFCN-UHFFFAOYSA-N
- KM 00887
MolClass #80506
OIDZPEDDRCNOLM-NXVVXOECSA-N
- KM 01046
MolClass #80507
PQULGZQSQLHCIT-UHFFFAOYSA-N