Molecule directory
Explore structures, source datasets and saved model predictions for molecules registered in MolClass.
Search by molecule name, identifier or structure →- 24791365
MolClass #42001
ZMCGBCXYLRRARB-UHFFFAOYSA-N
- 14730875
MolClass #42002
PNDBNEFDDWKYDD-UHFFFAOYSA-N
- 17503920
MolClass #42003
NJLQKZGFWDXJTL-AEFFLSMTSA-N
- 24791369
MolClass #42004
- 852139
MolClass #42005
- 17512192
MolClass #42006
XHMAXRGFAJKLCU-GIJQJNRQSA-N
- 4243499
MolClass #42007
TYQSXJXXNFTHMV-UHFFFAOYSA-N
- 24798086
MolClass #42008
GVXIPHFHZWKCAH-UHFFFAOYSA-N
- 17505279
MolClass #42009
OSDRGYHAAJZKRC-AEFFLSMTSA-N
- 17514107
MolClass #42010
UGDMUQYECPGTMW-AEFFLSMTSA-N
- 14740263
MolClass #42011
QTRFAFSSCUYBMG-UHFFFAOYSA-N
- 4245083
MolClass #42012
YQGPDIKZNXOOII-UHFFFAOYSA-N
- 14727604
MolClass #42013
JYWFALRJJHXBON-UHFFFAOYSA-N
- 17503828
MolClass #42014
JIPMAJYWEQFPSK-MJGOQNOKSA-N
- 4248896
MolClass #42015
- 24781686
MolClass #42016
- 852992
MolClass #42017
PWHHLLSJOAWOAM-UHFFFAOYSA-N
- 7967229
MolClass #42018
LMSAXKVRDCLBAU-UHFFFAOYSA-N
- 24784918
MolClass #42019
DEHXNIHDWMBMAT-UHFFFAOYSA-N
- 24799508
MolClass #42020
NPUJEVDXNHQOFK-UHFFFAOYSA-N
- 17407340
MolClass #42021
AVMADRBYSZXKDG-HXBUSHRASA-N
- 4246104
MolClass #42022
MTEOLTPQUYIJGB-LDADJPATSA-N
- 858054
MolClass #42023
WMTMXUWRLUWLAX-UHFFFAOYSA-N
- 22403563
MolClass #42024
JNZUWRKGDZJFDF-UHFFFAOYSA-N
- 22405862
MolClass #42025
VMOSPCSOWBEFCJ-ACGXNFJMSA-N
- 14729211
MolClass #42026
CDYFCGLOQBEAPG-UHFFFAOYSA-N
- 17407002
MolClass #42027
IXEPKFWSWNUOEB-GEOCHTMWSA-N
- 26719680
MolClass #42028
VHVPQPYKVGDNFY-UHFFFAOYSA-N
- 14728606
MolClass #42029
RSCIUJBNNCXFJQ-MPPXCXBMSA-N
- 24806568
MolClass #42030
DNWVUTDCWOCQHG-UHFFFAOYSA-N
- 24840065
MolClass #42031
- 22413679
MolClass #42032
- 24840523
MolClass #42033
GBNHAENILDIMGQ-UHFFFAOYSA-N
- 24789634
MolClass #42034
PIIALDQBBNGPDU-UHFFFAOYSA-N
- 17433669
MolClass #42035
JBOFMTMJSSRGJR-UHFFFAOYSA-N
- 24818382
MolClass #42036
LUOWYNSRDKTBKK-UHFFFAOYSA-N
- 24830491
MolClass #42037
FCTCNPMPXQXJOV-UHFFFAOYSA-N
- 17511930
MolClass #42038
GFAZDRVQQRQWDF-UHFFFAOYSA-N
- 24818550
MolClass #42039
PVJANZWQINAFQX-UHFFFAOYSA-N
- 17402633
MolClass #42040
DCHJBOSLQRMIFB-SDQBBNPISA-N
- 859163
MolClass #42041
QHKYGRMPOPQKTQ-UHFFFAOYSA-N
- 14742986
MolClass #42042
KQQZSYBNSQPKFA-UHFFFAOYSA-N
- 7976746
MolClass #42043
QQNUVQNPMKMXLK-UHFFFAOYSA-N
- 17507028
MolClass #42044
FWUKGENQDVFUBS-UHFFFAOYSA-N
- 24828528
MolClass #42045
XVFUNHMIQYBYJF-UHFFFAOYSA-N
- 17387710
MolClass #42046
DDUUISZYHIQWJL-UHFFFAOYSA-N
- 24782230
MolClass #42047
ZJVSMNUQLFPGLA-UHFFFAOYSA-N
- 7970845
MolClass #42048
RIGWUDCPVOBWLU-OWBHPGMISA-N
- 24807008
MolClass #42049
VGFOBZCITTUJFF-UHFFFAOYSA-N
- 14741925
MolClass #42050
OKDLAMMIKZVDRP-UHFFFAOYSA-N
- 7978140
MolClass #42051
NAMUXVGCWMQULM-UHFFFAOYSA-N
- 24805442
MolClass #42052
IKRONQPTJBUHJY-SSZFMOIBSA-N
- 14741381
MolClass #42053
PYFPNVCGVPRJCU-UHFFFAOYSA-N
- 24837835
MolClass #42054
SXELJLLMSJFTSC-VOTSOKGWSA-N
- 859465
MolClass #42055
HPDLBSMPPLUKAM-UHFFFAOYSA-N
- 17510188
MolClass #42056
RBXCNNSCGNJMLF-UHFFFAOYSA-N
- 14722173
MolClass #42057
UYXIQNHXDHUPAM-UHFFFAOYSA-N
- 14742457
MolClass #42058
GRUBXNOZRDXRIR-FLIBITNWSA-N
- 24797802
MolClass #42059
MNOCWVILUCHHQF-UHFFFAOYSA-N
- 14736204
MolClass #42060
JQNGYSHBTOYTNG-UHFFFAOYSA-N
- 22414036
MolClass #42061
- 863550
MolClass #42062
HWODASHKPGNKIO-CLFYSBASSA-N
- 17407479
MolClass #42063
QHGYPLBTCILRFL-UHFFFAOYSA-N
- 14721080
MolClass #42064
ORTSURQBFOLZQZ-WQLSENKSSA-N
- 14723673
MolClass #42065
LAKWJOKCQGLUKQ-UHFFFAOYSA-N
- 24837644
MolClass #42066
LWKNURLEJGJVGM-UHFFFAOYSA-N
- 14722351
MolClass #42067
SDLWGEXLAMKZHI-UHFFFAOYSA-N
- 843513
MolClass #42068
NABPCWWFJWVZCG-UHFFFAOYSA-N
- 24793038
MolClass #42069
RLGFSWQPEUSZTO-UHFFFAOYSA-N
- 857402
MolClass #42070
GGAKYZFQZFWTLL-UHFFFAOYSA-N
- 4242181
MolClass #42071
QZWIKBCXHYFDBK-UHFFFAOYSA-N
- 4260175
MolClass #42072
DYRKHNZSHNVCGT-UHFFFAOYSA-N
- 7975901
MolClass #42073
HHWYOVINOLEVIJ-UHFFFAOYSA-N
- 14726803
MolClass #42074
ZRUAKNXGWBDFFI-UHFFFAOYSA-N
- 24805696
MolClass #42075
- 22414612
MolClass #42076
- 3715540
MolClass #42077
ZEKRCFDPMLCSEP-UHFFFAOYSA-N
- 3715373
MolClass #42078
QABPHVRIKKSSFI-UHFFFAOYSA-N
- 3715298
MolClass #42079
MJWNUBRBZBLGOM-UHFFFAOYSA-N
- 24807594
MolClass #42080
QWERJBJISYXSIZ-UHFFFAOYSA-N
- 7973875
MolClass #42081
LTSLFNBPLYFMAG-FYWRMAATSA-N
- 24789622
MolClass #42082
FCXSMVYJLATLKF-UHFFFAOYSA-N
- 24793963
MolClass #42083
KWBSPFVDEQNNLW-UHFFFAOYSA-N
- 7977329
MolClass #42084
WXJXVAKYIPZGJD-UHFFFAOYSA-N
- 7966619
MolClass #42085
CLXWBTSOTSXUDK-UHFFFAOYSA-N
- 24780971
MolClass #42086
DGLKJFBTPQRYSX-UHFFFAOYSA-N
- 17401191
MolClass #42087
WBOILOFIBGGYFC-MVTUOISNSA-N
- 24787326
MolClass #42088
- 24837246
MolClass #42089
AQSVGJPEGVGKBF-UHFFFAOYSA-N
- 856953
MolClass #42090
VCWLUFSEFFJCSJ-UHFFFAOYSA-N
- 14742698
MolClass #42091
RARDGJRBMJOWHZ-UHFFFAOYSA-N
- 850834
MolClass #42092
FHFZEKYDSVTYLL-UHFFFAOYSA-N
- 14726278
MolClass #42093
XLCYCZFQMQVQNF-UHFFFAOYSA-N
- 24781773
MolClass #42094
BUVLNRFOYVPOHH-UHFFFAOYSA-N
- 4241144
MolClass #42095
YIIRARFEHJZCRK-UHFFFAOYSA-N
- 17385792
MolClass #42096
YAOQBIXSQAUGGK-UHFFFAOYSA-N
- 847046
MolClass #42097
WOCILMDODSOAEE-UHFFFAOYSA-N
- 17410444
MolClass #42098
SUEXHLXKGMPFDW-UHFFFAOYSA-N
- 14730140
MolClass #42099
WAESZBXXLFRQBF-UHFFFAOYSA-N
- 24823533
MolClass #42100
JUXNYQBOUPTYRJ-ACAGNQJTSA-N