Molecule directory
Explore structures, source datasets and saved model predictions for molecules registered in MolClass.
Search by molecule name, identifier or structure →- 128879-32-3
MolClass #6001
KTRUYRUZBILLAQ-UHFFFAOYSA-N
- NOCAS_M300
MolClass #6002
CSZDDLQVWPKXTC-UHFFFAOYSA-N
- 585-71-7
MolClass #6003
CRRUGYDDEMGVDY-UHFFFAOYSA-N
- 89-98-5
MolClass #6004
FPYUJUBAXZAQNL-UHFFFAOYSA-N
- 55090-44-3
MolClass #6005
QPUKANZXOGADOB-UHFFFAOYSA-N
- 18434-08-7
MolClass #6006
JMLYWQXLJYRYHL-UHFFFAOYSA-N
- NOCAS_M268
MolClass #6007
BRLQWZUYTZBJKN-UHFFFAOYSA-N
- 150366-18-0
MolClass #6008
ZMMDIASCSLFNFE-UHFFFAOYSA-N
- 80-63-7
MolClass #6009
AWJZTPWDQYFQPQ-UHFFFAOYSA-N
- 24954-53-8
MolClass #6010
AFZZRNZYFYBUKW-UHFFFAOYSA-N
- 133740-20-2
MolClass #6011
VOYHBEQAOUCNID-UHFFFAOYSA-N
- 2564-83-2
MolClass #6012
VUZNLSBZRVZGIK-UHFFFAOYSA-N
- 119143-42-9
MolClass #6013
SRAQHGMBDWVKBQ-UHFFFAOYSA-N
- 789-47-9
MolClass #6014
KSDIHKMNSYWRFB-UHFFFAOYSA-N
- 111-76-2
MolClass #6015
POAOYUHQDCAZBD-UHFFFAOYSA-N
- 103124-59-0
MolClass #6016
GYCGGBOAZZCQNE-UHFFFAOYSA-N
- 1248-18-6
MolClass #6017
SRPCPRSDICCCRQ-UHFFFAOYSA-N
- 86-59-9
MolClass #6018
QRDZFPUVLYEQTA-UHFFFAOYSA-N
- 83-95-4
MolClass #6019
CKDKGHDDRAMHGK-UHFFFAOYSA-N
- 303-45-7
MolClass #6020
QBKSWRVVCFFDOT-UHFFFAOYSA-N
- 41934-47-8
MolClass #6021
UIMOXRDVWDLOHW-UHFFFAOYSA-N
- 192705-53-6
MolClass #6022
UFWJRTLJUZKYMJ-UHFFFAOYSA-N
- 66-97-7
MolClass #6023
ZCCUUQDIBDJBTK-UHFFFAOYSA-N
- NOCAS_M110
MolClass #6024
UWROMTIFNKTGEH-UHFFFAOYSA-N
- 924-16-3
MolClass #6025
YGJHZCLPZAZIHH-UHFFFAOYSA-N
- 74494-65-8
MolClass #6026
UXANCUHUYCACQV-UHFFFAOYSA-N
- 9005-65-6
MolClass #6027
BDGPHFCPLVUHGC-UHFFFAOYSA-N
- 101-61-1
MolClass #6028
JNRLEMMIVRBKJE-UHFFFAOYSA-N
- 2185-92-4
MolClass #6029
TWBPWBPGNQWFSJ-UHFFFAOYSA-N
- 622-96-8
MolClass #6030
JRLPEMVDPFPYPJ-UHFFFAOYSA-N
- 163275-61-4
MolClass #6031
OOQHWHBPBYDOAU-UHFFFAOYSA-N
- 145627-68-5
MolClass #6032
PCDSAGAZKIZLQI-UHFFFAOYSA-N
- NOCAS_M64
MolClass #6033
FSYXMFXBRJFYBS-UHFFFAOYSA-N
- 133762-81-9
MolClass #6034
IKWCQHGCGMONIY-UHFFFAOYSA-N
- 86-95-3
MolClass #6035
HDHQZCHIXUUSMK-UHFFFAOYSA-N
- 39860-12-3
MolClass #6036
VJDQEQWPZTVEIN-UHFFFAOYSA-N
- 121-39-1
MolClass #6037
GOMAKLPNAAZVCJ-UHFFFAOYSA-N
- 79-08-3
MolClass #6038
KDPAWGWELVVRCH-UHFFFAOYSA-N
- 158729-29-4
MolClass #6039
OULKNAVVGXZJNK-UHFFFAOYSA-N
- 109-78-4
MolClass #6040
WSGYTJNNHPZFKR-UHFFFAOYSA-N
- 79-44-7
MolClass #6041
YIIMEMSDCNDGTB-UHFFFAOYSA-N
- 166546-19-6
MolClass #6042
AYYHEJNFZZMILH-XHLNEMQHSA-N
- 70458-92-3
MolClass #6043
FHFYDNQZQSQIAI-UHFFFAOYSA-N
- 77-65-6
MolClass #6044
OPNPQXLQERQBBV-UHFFFAOYSA-N
- 69658-14-6
MolClass #6045
MIFRQFLBTQFDII-UHFFFAOYSA-N
- NOCAS_M33
MolClass #6046
IYLYJEVXGMHMFS-UHFFFAOYSA-N
- 61734-88-1
MolClass #6047
AFZQINPVUZQTKS-UHFFFAOYSA-N
- 133762-86-4
MolClass #6048
BKOQFWVUMIMLJY-UHFFFAOYSA-N
- 25013-15-4
MolClass #6049
JLBJTVDPSNHSKJ-UHFFFAOYSA-N
- 108893-54-5
MolClass #6050
MJXHKPSYLUUZDJ-UHFFFAOYSA-N
- 7704-40-7
MolClass #6051
CCBDBWAKDHGKNI-UHFFFAOYSA-N
- NOCAS_M79
MolClass #6052
GCNYNTICGFOVMY-UHFFFAOYSA-N
- 627-18-9
MolClass #6053
RQFUZUMFPRMVDX-UHFFFAOYSA-N
- 2210-28-8
MolClass #6054
NHARPDSAXCBDDR-UHFFFAOYSA-N
- 105467-67-2
MolClass #6055
JSLKCRAKWKHEMT-UHFFFAOYSA-N
- NOCAS_M390
MolClass #6056
ILLOBGFGKYTZRO-UHFFFAOYSA-N
- 80-46-6
MolClass #6057
NRZWYNLTFLDQQX-UHFFFAOYSA-N
- 127-18-4
MolClass #6058
CYTYCFOTNPOANT-UHFFFAOYSA-N
- 114717-14-5
MolClass #6059
FWBXNMSLCRNZOV-UHFFFAOYSA-N
- 28108-99-8
MolClass #6060
JUHFQCKQQLMGAB-UHFFFAOYSA-N
- 37574-47-3
MolClass #6061
XGZQLNASOQVQTD-UHFFFAOYSA-N
- 779-02-2
MolClass #6062
CPGPAVAKSZHMBP-UHFFFAOYSA-N
- 109-43-3
MolClass #6063
PYGXAGIECVVIOZ-UHFFFAOYSA-N
- 50648-96-9
MolClass #6064
SHQGIYUBFHJOPP-UHFFFAOYSA-N
- 35281-34-6
MolClass #6065
ZSZZSGNVFIHJFK-UHFFFAOYSA-N
- 27113-22-0
MolClass #6066
CZNLTCTYLMYLHL-UHFFFAOYSA-N
- 84-64-0
MolClass #6067
BHKLONWXRPJNAE-UHFFFAOYSA-N
- 114460-41-2
MolClass #6068
- 88-95-9
MolClass #6069
FYXKZNLBZKRYSS-UHFFFAOYSA-N
- 19655-56-2
MolClass #6070
WSNATRDCOFYLCB-UHFFFAOYSA-N
- 95-74-9
MolClass #6071
RQKFYFNZSHWXAW-UHFFFAOYSA-N
- 952-23-8
MolClass #6072
WDVSHHCDHLJJJR-UHFFFAOYSA-N
- 2255-50-7
MolClass #6073
VGVNNMLKTSWBAR-UHFFFAOYSA-N
- 75453-80-4
MolClass #6074
YDRSQRPHLBEPTP-UHFFFAOYSA-N
- 599-64-4
MolClass #6075
QBDSZLJBMIMQRS-UHFFFAOYSA-N
- 1513-65-1
MolClass #6076
MBTGBRYMJKYYOE-UHFFFAOYSA-N
- 149022-16-2
MolClass #6077
- 59-50-7
MolClass #6078
CFKMVGJGLGKFKI-UHFFFAOYSA-N
- 61734-90-5
MolClass #6079
PSHQOARTDNZNHE-UHFFFAOYSA-N
- 92-88-6
MolClass #6080
VCCBEIPGXKNHFW-UHFFFAOYSA-N
- 7144-65-2
MolClass #6081
DNVXWIINBUTFEP-UHFFFAOYSA-N
- 24280-93-1
MolClass #6082
HPNSFSBZBAHARI-UHFFFAOYSA-N
- 873-75-6
MolClass #6083
VEDDBHYQWFOITD-UHFFFAOYSA-N
- 54292-59-0
MolClass #6084
HTXSQVJHHJVRGG-UHFFFAOYSA-N
- 129541-01-1
MolClass #6085
GXGFDMQMTZLCSA-UHFFFAOYSA-N
- 98033-24-0
MolClass #6086
HFAXTAZPUOOQTA-UHFFFAOYSA-N
- 83504-80-7
MolClass #6087
ZJJZKULIQWNROF-UHFFFAOYSA-N
- 92-24-0
MolClass #6088
IFLREYGFSNHWGE-UHFFFAOYSA-N
- 115-77-5
MolClass #6089
WXZMFSXDPGVJKK-UHFFFAOYSA-N
- 63166-73-4
MolClass #6090
VOTNXJVGRXZYOA-UHFFFAOYSA-N
- 108-11-2
MolClass #6091
WVYWICLMDOOCFB-UHFFFAOYSA-N
- 126420-95-9
MolClass #6092
LFFSCTVDIKBPEF-UHFFFAOYSA-N
- 484-08-2
MolClass #6093
JBRXRVFXQIKPEA-UHFFFAOYSA-N
- 6068-96-8
MolClass #6094
TURGQPDWYFJEDY-UHFFFAOYSA-N
- 24099-25-0
MolClass #6095
ZFZSGUNUXDDUOD-UHFFFAOYSA-N
- 51938-16-0
MolClass #6096
QYWUTOQYPOONLE-UHFFFAOYSA-N
- 112022-09-0
MolClass #6097
HKOLFXDCHCCSCT-UHFFFAOYSA-N
- 89-83-8
MolClass #6098
MGSRCZKZVOBKFT-UHFFFAOYSA-N
- 17479-19-5
MolClass #6099
- 92911-19-8
MolClass #6100
HYOWJSJJAVEHTC-UHFFFAOYSA-N