Molecule directory
Explore structures, source datasets and saved model predictions for molecules registered in MolClass.
Search by molecule name, identifier or structure →- CCCCCCCCCCCCCCCCCCN(C)c1ccc(cc1NC(=O)CC(=O)c1ccc(O)cc1)C(O)=O
MolClass #152739
XPKWVKAFFLOITI-UHFFFAOYSA-N
- [O-][N+](=O)c1ccc(cc1)S(=O)(=O)Oc1ccc(cc1)C(=O)c1ccccc1
MolClass #152740
GAJDPRHYSYMAFB-UHFFFAOYSA-N
- Br.CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)CN1C(=N)N(Cc2ccc(Cl)cc2)c2ccccc12
MolClass #152741
AAIAPDUJDIWPON-UHFFFAOYSA-N
- COC(=O)c1cc(ccc1O)C(=O)CSc1nc(C)cc(C)n1
MolClass #152742
OPXMZNSFIUHMNP-UHFFFAOYSA-N
- CCCCOc1ccc(O)c(c1)C(C)=O
MolClass #152743
WFMGVLPLMIMMOY-UHFFFAOYSA-N
- Cc1ccc(O)c(c1)C(=O)CC(=O)c1ccccc1
MolClass #152744
OKAQJPKEOQHKKY-UHFFFAOYSA-N
- CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)CSc1nnc(Nc2ccccc2)n1c1ccccc1
MolClass #152745
XTDGCPSZLVLWDJ-UHFFFAOYSA-N
- Cc1ccc(O)c(c1)C(=O)C=C(N)C(F)(F)F
MolClass #152746
CNUYGYLYNDDWCW-UHFFFAOYSA-N
- CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)c1nc2ccccc2n1Cc1ccccc1
MolClass #152747
ZLRUDOCONCABJZ-UHFFFAOYSA-N
- Cn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1c1ccccc1
MolClass #152748
LQOGSLQLACDVCQ-UHFFFAOYSA-N
- COC(=O)c1cc(ccc1O)C(=O)CSc1nc(N)cc(O)n1
MolClass #152749
AZWWZIIOAHTVLD-UHFFFAOYSA-N
- Oc1ccc(c(O)c1)C(=O)c1ccc(O)cc1O
MolClass #152750
WXNRYSGJLQFHBR-UHFFFAOYSA-N
- Oc1c2ccccc2c(Nc2ccccc2)c2c(=O)c3ccccc3c(=O)c12
MolClass #152751
PPQJDRDHTNJJPR-UHFFFAOYSA-N
- OC(COc1ccc(c(O)c1)C(=O)c1ccccc1)COc1ccc(c(O)c1)C(=O)c1ccccc1
MolClass #152752
VZYBFCDYFROPPK-UHFFFAOYSA-N
- Br.CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)Cn1c(NCCO)nc2ccccc12
MolClass #152753
JBRLJIHUQYRHTL-UHFFFAOYSA-N
- CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)CSc1nnnn1c1ccccc1
MolClass #152754
MZHXJBMTKIQSCD-UHFFFAOYSA-N
- Cc1ccc(O)c(c1)C(=O)CC(O)(c1ccccc1)C(F)(F)F
MolClass #152755
YBCZSNLHGOIOAV-UHFFFAOYSA-N
- Cc1ccc(OCC(=O)c2cc(C)c(O)cc2O)cc1
MolClass #152756
UOBGWTOQZALQPG-UHFFFAOYSA-N
- Oc1ccccc1C(=O)CC(=O)c1occc1
MolClass #152757
FBSLINXRBOXIAY-UHFFFAOYSA-N
- Oc1ccccc1C(=O)CC(=O)c1cccc(F)c1
MolClass #152758
GNFKKJQYSSAUIR-UHFFFAOYSA-N
- CC(=O)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
MolClass #152759
WGJPGMJLARWHRK-UHFFFAOYSA-N
- COc1ccc(cc1)C(=O)CC(=O)c1ccc(C)cc1O
MolClass #152760
FDSWLEMPCDVWNG-UHFFFAOYSA-N
- Cc1ccc(cc1)C(=O)CC(=O)c1ccccc1O
MolClass #152761
CLJWGWQMLQNZOL-UHFFFAOYSA-N
- CC(=O)c1cc(Br)c(C)c(Br)c1O
MolClass #152762
SWVYUFYVWCHDPS-UHFFFAOYSA-N
- Cc1ccc(cc1C)C(=O)c1ccc(O)cc1
MolClass #152763
BGZODRAEVZEVJD-UHFFFAOYSA-N
- Cc1ccc(c(O)c1)C(=O)c1ccccc1C(O)=O
MolClass #152764
UBFDXTQRYFAZOJ-UHFFFAOYSA-N
- CCCCCCc1cc(c(O)cc1O)C(=O)Cc1nc2ccccc2n1C
MolClass #152765
FBZRACLALPXXBG-UHFFFAOYSA-N
- Cc1ccc(cc1)C(=O)CC(=O)c1cc(C)ccc1O
MolClass #152766
SCVOIIUCRKCTAX-UHFFFAOYSA-N
- CC(C)(C)c1ccc(Nc2ccc3c(=O)c4ccccc4c(=O)c3c2O)cc1
MolClass #152767
CIRKBTHGOBCLSB-UHFFFAOYSA-N
- Cc1cccc(c1)C(=O)CC(=O)c1ccc(C)cc1O
MolClass #152768
FBZYHQIKJSWEER-UHFFFAOYSA-N
- Cc1cccc(c1)C(=O)CC(=O)c1ccccc1O
MolClass #152769
SHMQLAKWILXZCI-UHFFFAOYSA-N
- Br.CCN(CC)CCN1C(=N)N(CC(=O)c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)c2ccccc12
MolClass #152770
SUCPIGTURKKWOA-UHFFFAOYSA-N
- Cc1ccc(c(O)c1)C(=O)CC(=O)c1ccc(cc1)C(C)(C)C
MolClass #152771
JCGZQMVVCZISGZ-UHFFFAOYSA-N
- COc1cccc(C=CC(=O)c2ccc3ccccc3c2O)c1OC
MolClass #152772
CQQDEJGEKATKBY-UHFFFAOYSA-N
- COc1ccc(C=CC(=O)c2ccc3ccccc3c2O)cc1OC
MolClass #152773
AOXZKEBKRSOYMQ-UHFFFAOYSA-N
- Oc1c(ccc2ccccc12)C(=O)C=Cc1ccc(Br)cc1
MolClass #152774
CTFQJSNBWVLXAC-UHFFFAOYSA-N
- COc1ccc(C=CC(=O)c2ccc3ccccc3c2O)cc1COc1ccc(NC(C)=O)cc1
MolClass #152775
WLBVWRTYTKULSC-UHFFFAOYSA-N
- Oc1ccccc1C(=O)CC1(O)C(=O)Nc2ccccc21
MolClass #152776
UAEJHGCEFAFLIJ-UHFFFAOYSA-N
- Oc1ccccc1C(=O)CC1(O)C(=O)Nc2ccc(Br)cc21
MolClass #152777
IYWNQWZVYAERCL-UHFFFAOYSA-N
- Br.CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)CN1C(=N)N(CCN2CCOCC2)c2ccccc12
MolClass #152778
IQNRUBDRLLBESV-UHFFFAOYSA-N
- COc1ccc(O)c(c1)C(=O)CC(=O)c1ccccc1
MolClass #152779
BLZXDUVTDYZVNJ-UHFFFAOYSA-N
- Cc1ccc(cc1)C=CC(=O)c1ccc2ccccc2c1O
MolClass #152780
LPRBBVARHHTUBA-UHFFFAOYSA-N
- Oc1c(ccc2ccccc12)C(=O)C=Cc1ccc2OCOc2c1
MolClass #152781
ZAKHZIRLXWSBIQ-UHFFFAOYSA-N
- COc1ccc(C=CC(=O)c2ccc(O)cc2)cc1Cn1nnc2ccccc12
MolClass #152782
ABOVCHMGGVPUAX-UHFFFAOYSA-N
- Cc1ccc(cc1)C=CC(=O)c1ccc(O)cc1
MolClass #152783
WSNQCLMGWCDWPM-UHFFFAOYSA-N
- [ClH-].Oc1ccc(cc1)C(=O)CC[NH+]1CCCCC1
MolClass #152784
XFFQEPIEPOVHSL-UHFFFAOYSA-O
- CCCc1ccc(OCC(=O)c2ccc(O)cc2O)cc1
MolClass #152785
RNUPTWHEMHRALC-UHFFFAOYSA-N
- Cc1ccccc1NC(=O)c1ccc2c(=O)c3ccccc3c(=O)c2c1O
MolClass #152786
VTEFJVLOAAFXCX-UHFFFAOYSA-N
- NC(=CC(=O)c1ccccc1O)c1ccccc1
MolClass #152787
JFOIJLJGDKBCFN-UHFFFAOYSA-N
- Oc1ccc(Cl)cc1C(=O)CC(=O)c1occc1
MolClass #152788
LMGFQWWBKXCHKR-UHFFFAOYSA-N
- COc1ccc(C=CC(=O)c2ccc3ccccc3c2O)cc1Cn1nnc2ccccc12
MolClass #152789
INXGWDZFNZKCLO-UHFFFAOYSA-N
- COc1ccc(C=CC(=O)c2ccc3ccccc3c2O)c(OC)c1
MolClass #152790
VOPMRMGHUPBLPG-UHFFFAOYSA-N
- Oc1c(ccc2ccccc12)C(=O)C=Cc1ccc(Cl)cc1
MolClass #152791
FSDAZTFQWAZVCC-UHFFFAOYSA-N
- Oc1c(ccc2ccccc12)C(=O)C=Cc1ccccc1
MolClass #152792
SDJKQYUTPDOVQI-UHFFFAOYSA-N
- COc1ccc(CC(=O)c2ccc(O)cc2O)cc1OC
MolClass #152793
LRXMMYWDVBYTPO-UHFFFAOYSA-N
- [O-][N+](=O)c1ccc(OCC(=O)c2ccc(O)cc2O)cc1
MolClass #152794
LXRDYFUDWUKCMP-UHFFFAOYSA-N
- Br.Oc1ccc(cc1)C(=O)CN1c2ccccc2N2CCCN=C21
MolClass #152795
MXSXGFICUBTSHY-UHFFFAOYSA-N
- Oc1ccccc1C(=O)CC(=O)c1ccc(Br)cc1
MolClass #152796
QFSHCLURRGHULI-UHFFFAOYSA-N
- COc1ccc(C=CC(=O)c2ccc(O)cc2)cc1COc1ccc(F)cc1
MolClass #152797
RNJCYYCHKKMZQP-UHFFFAOYSA-N
- Oc1ccc(c(O)c1)C(=O)Cc1cccc(Cl)c1
MolClass #152798
QFAYWVDOEJIKSU-UHFFFAOYSA-N
- CCOc1cc(C=CC(=O)c2ccc(O)cc2)ccc1OCc1ccccc1Cl
MolClass #152799
SHQNMRFFPKWQOY-UHFFFAOYSA-N
- CC(C)(C)c1ccc(OCC(=O)c2ccc(O)cc2O)cc1
MolClass #152800
JFZTZYFOFIIATR-UHFFFAOYSA-N
- Cc1c(O)ccc(C(=O)Cc2ccccc2)c1O
MolClass #152801
QADPNRDWZDWADJ-UHFFFAOYSA-N
- CCc1cc(c(O)cc1O)C(=O)Cc1ccc(F)cc1
MolClass #152802
UXNPREOAQGSYKG-UHFFFAOYSA-N
- COc1ccc(O)c(c1)C(=O)CC(=O)c1cccc(F)c1
MolClass #152803
JFCKYJQOYSMAFH-UHFFFAOYSA-N
- COc1ccc2C(CC(=O)c3ccc(O)cc3)OC(=O)c2c1OC
MolClass #152804
ZLMPVBUDVJRLTQ-UHFFFAOYSA-N
- COc1ccc2C(CC(=O)c3ccc(O)c(I)c3)OC(=O)c2c1OC
MolClass #152805
JTTWMCLAAKCRAD-UHFFFAOYSA-N
- Oc1ccccc1C(=O)C=Cc1ccc(Cl)cc1Cl
MolClass #152806
BPYVYBKYFSXRCH-UHFFFAOYSA-N
- CC(C)(C)c1ccc(cc1)C(=O)CC(=O)c1ccccc1O
MolClass #152807
XJIGWNQYKGUWBR-UHFFFAOYSA-N
- Oc1ccc(cc1)C(=O)C=Cc1ccc(Br)cc1
MolClass #152808
CFRRNPVYIVKLLW-UHFFFAOYSA-N
- Cc1cc(C)cc(OCC(=O)c2ccc(O)cc2O)c1
MolClass #152809
HLENNWWFFLJHAW-UHFFFAOYSA-N
- Cc1cc(C)c2c(N)c(sc2n1)C(=O)c1ccc(O)cc1
MolClass #152810
OIZBQYWDYBMWGF-UHFFFAOYSA-N
- Oc1ccc(c(O)c1)C(=O)Cc1ccc(F)cc1
MolClass #152811
CXBCJNQNUZOTQH-UHFFFAOYSA-N
- COc1ccc2C(CC(=O)c3cc(I)c(O)c(I)c3O)OC(=O)c2c1OC
MolClass #152812
ZABUKKKHIARDJH-UHFFFAOYSA-N
- COc1ccc(O)c(c1)C(=O)CC(=O)c1ccccc1C
MolClass #152813
VHTSKMHKLINOAO-UHFFFAOYSA-N
- COc1ccc(C=CC(=O)c2ccc(O)cc2)c(OC)c1
MolClass #152814
LNEYYODFMSUKGY-UHFFFAOYSA-N
- COc1ccc(O)c(c1)C(=O)CC(=O)c1ccc(F)cc1
MolClass #152815
ABKONMXONQQXKA-UHFFFAOYSA-N
- Oc1ccc(cc1)C(=O)C=Cc1c(Cl)cccc1Cl
MolClass #152816
QOSCTBAYXJCLFA-UHFFFAOYSA-N
- CN1C(=O)C(O)(CC(=O)c2ccc3ccccc3c2O)c2ccccc12
MolClass #152817
UIIHNNCGCDUWMK-UHFFFAOYSA-N
- Cc1sc2nc(SCC(=O)c3ccc(O)c(O)c3)nc(O)c2c1C
MolClass #152818
FBFZQTVPMLIDPV-UHFFFAOYSA-N
- CCc1ccc(OCC(=O)c2cc(CC)c(O)cc2O)cc1
MolClass #152819
OOYFTBXWTNWMBR-UHFFFAOYSA-N
- CCCc1ccc(OCC(=O)c2ccc(O)c(C)c2O)cc1
MolClass #152820
UTWJMUPFYHYKQT-UHFFFAOYSA-N
- Oc1c(ccc2c(=O)c3ccccc3c(=O)c12)C(=O)Nc1cccc(Cl)c1
MolClass #152821
INRNBWXGWDSWCF-UHFFFAOYSA-N
- CC(C)Cc1c(C#N)c(SCC(=O)c2ccc(O)c(O)c2)nc(C)c1C(N)=O
MolClass #152822
DRTXCSRDYDTUEB-UHFFFAOYSA-N
- Oc1c(ccc2ccccc12)C(=O)C=Cc1ccc(Cl)c(Cl)c1
MolClass #152823
PVJIQEOVQSCJKX-UHFFFAOYSA-N
- COc1cc(C=CC(=O)c2ccc3ccccc3c2O)cc(OC)c1OC
MolClass #152824
RWLQOFFOVBKUNG-UHFFFAOYSA-N
- Oc1ccc(cc1)C(=O)C(=O)c1ccc(O)cc1
MolClass #152825
FMYXOBBPXQZKKY-UHFFFAOYSA-N
- CCc1cc(c(O)cc1O)C(=O)Cc1cnn(c1)c1ccccc1
MolClass #152826
YVZVNJQAUQJLRU-UHFFFAOYSA-N
- CCc1cc(C(=O)COc2ccc3ccccc3c2)c(O)cc1O
MolClass #152827
UWQBQHVPDQUHLW-UHFFFAOYSA-N
- CC(C)(C)c1ccc2c(=O)c(cc(=O)c2c1O)C(C)(C)C
MolClass #152828
CRKJMNCTEBBOHJ-UHFFFAOYSA-N
- CC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1O
MolClass #152829
LIYJYLMLEYGYHD-UHFFFAOYSA-N
- COc1ccccc1C=CC(=O)c1ccc(O)cc1
MolClass #152830
KYAPKYXQCLBRIU-UHFFFAOYSA-N
- COc1ccc(cc1)C(CC(=O)c1ccc(O)cc1)S(=O)(=O)c1ccc(C)cc1
MolClass #152831
XHNXCPRRKFYKMM-UHFFFAOYSA-N
- Cc1cc(c2occc2)c(C#N)c(SCC(=O)c2ccc(O)c(O)c2)n1
MolClass #152832
KWDOKIPEOQXMIR-UHFFFAOYSA-N
- COc1ccc(cc1OC)C(=O)CC(=O)c1ccccc1O
MolClass #152833
AKZVHWUIAPIMPS-UHFFFAOYSA-N
- CN1C(=O)C(O)(CC(=O)c2ccccc2O)c2ccccc12
MolClass #152834
HSYLWSWQNACGOH-UHFFFAOYSA-N
- CCc1cc(c(O)cc1O)C(=O)Cc1ccccc1
MolClass #152835
TYEPLJPAMSQUDK-UHFFFAOYSA-N
- CCc1cc(C(=O)COc2ccccc2)c(O)cc1O
MolClass #152836
CFUDGFAALANVLB-UHFFFAOYSA-N
- COc1ccc(c(O)c1C)C(=O)COc1ccc(F)cc1
MolClass #152837
YZKPBGXNXRFBNI-UHFFFAOYSA-N
- CCc1cc(C(=O)Cc2cscn2)c(O)cc1O
MolClass #152838
YOYNBMLIWOSNHL-UHFFFAOYSA-N