Molecule directory
Explore structures, source datasets and saved model predictions for molecules registered in MolClass.
Search by molecule name, identifier or structure →- Cc1ccc2c(Cl)cc(Cl)c(O)c2n1
MolClass #155639
GPTXWRGISTZRIO-UHFFFAOYSA-N
- Oc1ccc2C=CC(=O)Oc2c1
MolClass #155640
ORHBXUUXSCNDEV-UHFFFAOYSA-N
- CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(COC(C)=O)OC(C)=O
MolClass #155641
UZIIHSGPIUZAET-UHFFFAOYSA-N
- O=c1c(-c2ccccc2)coc2cc(O)cc(O)c12
MolClass #155642
PJJGZPJJTHBVMX-UHFFFAOYSA-N
- COc1ccc(C2Oc3c(I)c(OC)cc(OC)c3CC2O)cc1OC
MolClass #155643
VTUMIISWLFIURS-UHFFFAOYSA-N
- COc1cc2c(cc1OC)C1C(=O)c3ccc(OC)c(CC=C(C)C)c3OC1CO2
MolClass #155644
QADCCYSYLNTZHV-UHFFFAOYSA-N
- COc1cc(OC)c2C(=O)C(=COc2c1)c1ccccc1
MolClass #155645
CDSSYLTXYXEANW-UHFFFAOYSA-N
- COc1ccc(-c2coc3c(O)c(OC)ccc3c2=O)cc1
MolClass #155646
RRCYPDDIDYVEIW-UHFFFAOYSA-N
- OC(=O)C1C=C(O)C(=O)c2c(O)c(O)c(O)cc2C=1
MolClass #155647
PJSKCCANFAFYHW-UHFFFAOYSA-N
- C=CC(C1=CC(=O)C(OC)=C(OC)C1=O)c1ccccc1
MolClass #155648
LJEJBLOFFDLRIH-UHFFFAOYSA-N
- COc1c(O)cc2c(-c3ccccc3)cc(=O)oc2c1OC
MolClass #155649
ABUBCBFUQXIEAU-UHFFFAOYSA-N
- CC1CC(O)C2(O)C3(C)COC(=O)CC12CC(=O)C3(C)O
MolClass #155650
NOHXYGXFTACADH-UHFFFAOYSA-N
- CCCCCCCCCCCCCCC(C(O)=O)C(O)(CC(=O)OC)C(O)=O
MolClass #155651
HMJJWFFZRCLIDN-UHFFFAOYSA-N
- C#CCCCCCCCCCCCC(O)CC(O)COC(C)=O
MolClass #155652
JAKAZHIACKJNNB-UHFFFAOYSA-N
- C=CCCCCCCCCCCCC(O)CC(O)CO
MolClass #155653
DFEHQWFIOMAGBM-UHFFFAOYSA-N
- CCCCCC(=O)Cc1cc(O)cc(O)c1C(=O)Oc1cc(CC(=O)CCCCC)c(C(O)=O)c(OC)c1
MolClass #155654
DGXLEDCXMIJNPJ-UHFFFAOYSA-N
- CC(=O)Oc1ccc2c(c1OC(C)=O)OCC1(O)Cc3c(cc(OC(C)=O)c(OC(C)=O)c3OC(C)=O)C21
MolClass #155655
JXUGSXOSZMZDGF-UHFFFAOYSA-N
- CC(C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(O)=O
MolClass #155656
NPBNRBWMDNZEBN-UHFFFAOYSA-N
- CC(C)CCCC(C)C1CCC2C3CC(=O)C4CC(O)CCC4(C)C3CCC12C
MolClass #155657
JQMQKOQOLPGBBE-UHFFFAOYSA-N
- CC(C)CCCC(C)C1CCC2C3C(O)CC4(O)CC(O)CCC4(C)C3CCC12C
MolClass #155658
LNNXWNOUIHYAOR-UHFFFAOYSA-N
- COc1cc(O)c(C(=O)c2ccccc2)cc1O
MolClass #155659
NFJVELXCUBWAFL-UHFFFAOYSA-N
- Cc1cc(O)cc(O)c1C(=O)O
MolClass #155660
AMKYESDOVDKZKV-UHFFFAOYSA-N
- CC1=CC(=O)C2C(C)(C)CCCC2(C)C1(O)CCc1ccoc1
MolClass #155661
XDYGCIOWNPNVIH-UHFFFAOYSA-N
- C=C(C)c1cc2cc(C(C)=O)c(O)cc2o1
MolClass #155662
OPUFDNZTKHPZHM-UHFFFAOYSA-N
- [ClH-].CC1CCC2(C)C(CCC=C2C)C1(C)CCC(C)=CCn1c[n+](C)c2c(N)ncnc12
MolClass #155663
XQYSFXLEKOGBHU-UHFFFAOYSA-N
- CC(C)CCCC(C)C1CCC2C3CCC4CCCCC4(C)C3CCC12C
MolClass #155664
XIIAYQZJNBULGD-UHFFFAOYSA-N
- CC(=O)OCC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
MolClass #155665
VPGRYOFKCNULNK-UHFFFAOYSA-N
- C=C1C(=O)OC2CC1C(OC(C)=O)CC(C)=CCCC(C)=CCCC2(C)O
MolClass #155666
WMGWWFHPPNGBBT-UHFFFAOYSA-N
- CN1C2CC(OC(=O)C(CO)c3ccccc3)CC1C(O)C2
MolClass #155667
WTQYWNWRJNXDEG-UHFFFAOYSA-N
- CC1(C)CC2C(=O)CCC3OC3(C)CCC21
MolClass #155668
UETZJEZFLKASPR-UHFFFAOYSA-N
- C=C1CCC2C(CC2(C)C)C(=C)CCC1=NO
MolClass #155669
LAVOESILOACOFW-UHFFFAOYSA-N
- CC(=O)OC1CCC2(O)CC1(C)CCC1C2CC1(C)C
MolClass #155670
LRFYCTLMXJJJHZ-UHFFFAOYSA-N
- CC1=CC2C(C(C)C)CCC(C)(O)C2CC1
MolClass #155671
LHYHMMRYTDARSZ-UHFFFAOYSA-N
- C=CC(C)(O)CCC1C(=C)CC(O)C2C(C)(C)CCCC12C
MolClass #155672
CLGDBTZPPRVUII-UHFFFAOYSA-N
- C=CC(C)(O)CCC1C(=C)CC(OC(C)=O)C2C(C)(C)CCCC12C
MolClass #155673
WCNCDVQMEQJFGH-UHFFFAOYSA-N
- CC(=O)C=CC1C(C)(O)CCC2C(C)(C)CCCC21C
MolClass #155674
SNUHZNCSBAQVJV-UHFFFAOYSA-N
- COc1cc2c(cc1OC)C(=O)OC2
MolClass #155675
UKFAWRZYFYOXEG-UHFFFAOYSA-N
- C=C1CCC(C2CC(=O)OC2=O)C(=O)CCC2C1CC2(C)C
MolClass #155676
HIFLEGNWVFLGLY-UHFFFAOYSA-N
- CC12CCCC(O)(C1)C1CC(C)(C)C1CC2
MolClass #155677
FUQAYSQLAOJBBC-UHFFFAOYSA-N
- C=C1C(N)CC2CC1C2(C)C.Cl
MolClass #155678
SQSDBXYJKLVZJR-UHFFFAOYSA-N
- CC1(C)CC23C(=O)CCC(O)C2(C)CCC13
MolClass #155679
UHRWOVVMQAASAO-UHFFFAOYSA-N
- COC1(C)CCC2OC2(C)CCC2C1CC2(C)C
MolClass #155680
YJNLRCNFLREHBK-UHFFFAOYSA-N
- C=C1CCC2C(CC2(C)C)C(=O)CCC1O
MolClass #155681
BSFUDCIRZBAPDS-UHFFFAOYSA-N
- CC1(C)CC2C1CCC1(C)OC2(C)CCC1O
MolClass #155682
KSMZUKWIDPCGBS-UHFFFAOYSA-N
- C=C1CCC(OC(C)=O)C(C)=CCC2C1CC2(C)C
MolClass #155683
OCLOVRSVPZPWHE-UHFFFAOYSA-N
- COC(=O)c1c(OC)cc2c(c1C)Oc1c(Cl)c(OC(C)=O)c(Cl)c(C)c1C(=O)O2
MolClass #155684
RDBVNNMYIBVCEP-UHFFFAOYSA-N
- COc1c2c(c(CC=C(C)C)c3oc(=O)c(-c4ccc(O)cc4)c(O)c13)OC(C)(C)C=C2
MolClass #155685
QKTFIWUHGFCLHF-UHFFFAOYSA-N
- Cc1nc(N(C)C(=O)Cc2ccc(-c3ccccn3)cc2)sc1S(N)(=O)=O
MolClass #155686
IVZKZONQVYTCKC-UHFFFAOYSA-N
- C=C1CCC2C(C)(CO)C(O)CCC2(C)C1CC=C1C(=O)OCC1O
MolClass #155687
BOJKULTULYSRAS-UHFFFAOYSA-N
- Nc1nc2ncc(=O)[nH]c2c(=O)[nH]1
MolClass #155688
VURKRJGMSKJIQX-UHFFFAOYSA-N
- O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1OC1OC(CO)C(O)C(O)C1O
MolClass #155689
IOUVKUPGCMBWBT-UHFFFAOYSA-N
- C1CCN2CC3CC(CN4CCCCC34)C2C1.O=S(=O)(O)O
MolClass #155690
FCEHFCFHANDXMB-UHFFFAOYSA-N
- CC(C)=CCCC1(C)Oc2c(CC=C(C)C)c3OC45C6CC(C=C4C(=O)c3c(OC(C)=O)c2C=C1)C(=O)C5(CC=C(C)C(O)=O)OC6(C)C
MolClass #155691
REDMIYQFNIRTDF-UHFFFAOYSA-N
- CC(=O)CC1CCCCN1.Cl
MolClass #155692
FMOKUKPRJSMPOI-UHFFFAOYSA-N
- CC(=O)OC1CC2C(C)(C)C(O)C=CC2(C)C2CCC3(C)C(OC(=O)C4OC43C12C)c1cocc1
MolClass #155693
IYGKIJUHLXBVCF-UHFFFAOYSA-N
- Cl.ClCCN(CCCl)CCCl
MolClass #155694
VEAUDLLZYJVHRI-UHFFFAOYSA-N
- CC(C)=CC1C(CO)C1(C)C
MolClass #155695
HIPIENNKVJCMAP-UHFFFAOYSA-N
- COc1ccc(cc1)C1=COc2cc(OC(C)=O)cc(OC(C)=O)c2C1=O
MolClass #155696
VXOBVHAUXZVHTL-UHFFFAOYSA-N
- CC(=O)c1c(O)cc(O)cc1O
MolClass #155697
XLEYFDVVXLMULC-UHFFFAOYSA-N
- CC1OC(OCC2OC(OC3=C(c4ccc(O)c(O)c4)Oc4cc(O)cc(O)c4C3O)C(O)C(O)C2O)C(O)C(O)C1O
MolClass #155698
WDBZJVORSCLSCM-UHFFFAOYSA-N
- CC1(C)CC2C1CCC1(C)CCC3C(CC(=O)OC32C1)C(O)=O
MolClass #155699
QKVNMVAISCKGFO-UHFFFAOYSA-N
- CC(=O)OC1CCC2(C)C(=CC(=O)C3C2CCC2(C)C(C(C)CCCC(C)C)CCC32)C1
MolClass #155700
PMBSWZWCNKVWLV-UHFFFAOYSA-N
- CC1CCC23CCC4(C)C5(C)CCC6C(C)(C)C(O)CCC6(C)C5C=CC4(OC2=O)C3C1C
MolClass #155701
UVBLDLGZDSGCSN-UHFFFAOYSA-N
- CC1CCC23CCC4(C)C5(C)CCC6C(C)(C)C(=O)CCC6(C)C5C=CC4(OC2=O)C3C1C
MolClass #155702
SHDSXTLKCOGMKJ-UHFFFAOYSA-N
- CC(C)c1ccc2c(c1)CCC1C(C)(C(N)=O)CCCC21C
MolClass #155703
AKKQGFKWEDCWJK-UHFFFAOYSA-N
- CC1=CC2C(CC1=O)C(C)=CCC2C(C)C
MolClass #155704
LMILVXQXGKTFSZ-UHFFFAOYSA-N
- CC(C)=CCC(O)C1CC=C(C)CC1
MolClass #155705
ZMPSDWUBPIOGKA-UHFFFAOYSA-N
- CC(=O)OC(C)(CCC=C(C)C)C1CC=C(C)CC1
MolClass #155706
RQYNNIWGGJJGDH-UHFFFAOYSA-N
- CC1CCC2C(C)(C)C3CC12CCC3(C)O
MolClass #155707
SVURIXNDRWRAFU-UHFFFAOYSA-N
- CC12CCC3c4ccc(OC(=O)c5ccccc5)cc4CCC3C1CCC2=O
MolClass #155708
HKUKRSLIEVXDMS-UHFFFAOYSA-N
- Cl.c1cncc(C2CCCCN2)c1
MolClass #155709
VTMZQNZVYCJLGG-UHFFFAOYSA-N
- CN1CCc2cc3c(cc2C1O)OCO3.Cl
MolClass #155710
DLNQCQJCIITVHC-UHFFFAOYSA-N
- C=C1C(=O)OC2CC3(C)CCCC(C)C3=CC12
MolClass #155711
PXOYOCNNSUAQNS-UHFFFAOYSA-N
- CC(=O)OC1(C)CCC23CC1C(C)(C)C2CCC3C
MolClass #155712
HQKQRXZEXPXXIG-UHFFFAOYSA-N
- CC(=CCO)CCC(C)CCCC(C)CCCC(C)C
MolClass #155713
VNYGDSNUPVEJKI-UHFFFAOYSA-N
- COC1=CC(C)C2CC3OC(=O)CC4C(C)=C(OC)C(=O)C(C2(C)C1=O)C34C
MolClass #155714
IOSXSVZRTUWBHC-UHFFFAOYSA-N
- CC(=O)OCCC(C)CCC=C(C)C
MolClass #155715
JOZKFWLRHCDGJA-UHFFFAOYSA-N
- CN1C2CC3CC1C(O3)C2O
MolClass #155716
MEGPURSNXMUDAE-UHFFFAOYSA-N
- NC(C(=O)O)C(O)C(O)C(O)CO
MolClass #155717
UFYKDFXCZBTLOO-UHFFFAOYSA-N
- COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12
MolClass #155718
NWIBSHFKIJFRCO-UHFFFAOYSA-N
- O=C([O-])CF.[Na+]
MolClass #155719
JGFYQVQAXANWJU-UHFFFAOYSA-M
- COP(N)(=O)SC
MolClass #155720
NNKVPIKMPCQWCG-UHFFFAOYSA-N
- CCCCN(CC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]
MolClass #155721
SMDHCQAYESWHAE-UHFFFAOYSA-N
- CSc1nc(NC(C)C)nc(NC(C)C)n1
MolClass #155722
AAEVYOVXGOFMJO-UHFFFAOYSA-N
- CC(C)N(C(=O)CCl)c1ccccc1
MolClass #155723
MFOUDYKPLGXPGO-UHFFFAOYSA-N
- CNC(=O)ON=C(C)SC
MolClass #155724
UHXUZOCRWCRNSJ-UHFFFAOYSA-N
- COP(=S)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1
MolClass #155725
WWJZWCUNLNYYAU-UHFFFAOYSA-N
- CNC(=O)Oc1cccc2c1OC(C)(C)O2
MolClass #155726
XEGGRYVFLWGFHI-UHFFFAOYSA-N
- CC1(C)C(C(Cl)Cl)C2(Cl)C(Cl)C(Cl)C1(Cl)C2(Cl)Cl
MolClass #155727
HRBUJQUHXGOSQW-UHFFFAOYSA-N
- O=c1cc(-c2ccc(O)cc2)oc2cc(OC3OC(CO)C(O)C(O)C3OC3OCC(O)(CO)C3O)cc(O)c12
MolClass #155728
NTDLXWMIWOECHG-UHFFFAOYSA-N
- C=CCc1cc(OC)c2c(c1OC)OCO2
MolClass #155729
QQRSPHJOOXUALR-UHFFFAOYSA-N
- CC1CC2CC(=O)C3CCCN4CCCC2C34C1.[O-][Cl+3]([O-])([O-])O
MolClass #155730
CGJMLDZXUSLBCG-UHFFFAOYSA-N
- COc1cc2c(cc1OC)Cc1cc(OC)c(OC)cc1Cc1cc(OC)c(OC)cc1C2
MolClass #155731
YECHEDVCXXVLIY-UHFFFAOYSA-N
- OC(=O)c1ccc2OCOc2c1
MolClass #155732
VDVJGIYXDVPQLP-UHFFFAOYSA-N
- Cl.NCC(=O)c1ccccc1
MolClass #155733
CVXGFPPAIUELDV-UHFFFAOYSA-N
- CC1=C(CCC(=O)O)C2=CC3=NC(=CC4=NC(=CC5=NC(=CC1=N2)C(C)=C5C(C)O)C(C)=C4C(C)O)C(C)=C3CCC(=O)O.Cl.Cl
MolClass #155734
CHKBQXNLYLTGHK-UHFFFAOYSA-N
- Cc1cc(O)c(C=O)c(O)c1C(=O)O
MolClass #155735
KCOOTJRKKIDHTM-UHFFFAOYSA-N
- CCC(C)C(NC)C(=O)O
MolClass #155736
KSPIYJQBLVDRRI-UHFFFAOYSA-N
- CCOC(=O)c1ccc(O)cc1
MolClass #155737
NUVBSKCKDOMJSU-UHFFFAOYSA-N
- COc1cc(O)ccc1C(C)=O
MolClass #155738
XPHIPEXPAGCEBM-UHFFFAOYSA-N