Molecule directory
Explore structures, source datasets and saved model predictions for molecules registered in MolClass.
Search by molecule name, identifier or structure →- CC1(C)C2CC(=O)C3(C)C(CCC4(C)C(OC(=O)C=C43)c3cocc3)C2(C)C2OC2C1=O
MolClass #156239
WLKZRTPUMRBWMX-UHFFFAOYSA-N
- CC(=O)OC1CC2C(C)(C)C(=O)CCC2(C)C2CCC3(C)C(OC(=O)C=C3C12C)c1cocc1
MolClass #156240
QDBAUJQKYJXHPB-UHFFFAOYSA-N
- CC(=O)OC1CC2C(C)(C)C(=O)C3OC3C2(C)C2CCC3(C)C(OC(=O)C=C3C12C)c1cocc1
MolClass #156241
MUUQATOBEVXSBH-UHFFFAOYSA-N
- CC(=O)OC1CC(OC(C)=O)C2(C)C3CCC4(C)C(OC(=O)C5OC54C3(C)C(=O)CC2C1(C)C)C(O)=O
MolClass #156242
WROKSYFOSDWFHL-UHFFFAOYSA-N
- COC(=O)C1OC(=O)C2OC32C1(C)CCC1C2(C)C(CC(OC(C)=O)C(C)(C)C2CC(=O)C13C)OC(C)=O
MolClass #156243
LCICSPJVVRRTRO-UHFFFAOYSA-N
- CC(=O)OC1CC(OC(C)=O)C2(C)C3CCC4(C)C(=O)OC(=O)C=C4C3(C)C(CC2C1(C)C)OC(C)=O
MolClass #156244
XQTIGXABKFAERX-UHFFFAOYSA-N
- CC1Oc2cc3OC(C)(C)CCc3c(O)c2C(=O)C=1
MolClass #156245
IQJZOBSXWBOFSO-UHFFFAOYSA-N
- CC(=O)OC1CC(=O)C2(C)C3CCC4(C)C(OC(=O)C5OC54C3(C)C(=O)CC2C1(C)C)c1cocc1
MolClass #156246
AFBBIVHQSLMMLH-UHFFFAOYSA-N
- CC12CCC(Cl)CC1CCC1C2CCC2(C)C1CCC2=O
MolClass #156247
JBTQLUUOBPYIPP-UHFFFAOYSA-N
- COC1CC(OC(C)C1O)OC1CCC2(C)C3CCC4(C)C(CCC4(O)C3CCC2(O)C1)C1COC(=O)C=1
MolClass #156248
XRWQBDJPMXRDOQ-UHFFFAOYSA-N
- CC12CCC(=O)C=C1CCc1ccc(O)cc12
MolClass #156249
NPJWANZASAIMBS-UHFFFAOYSA-N
- CC12CCC(O)CC1CCC1C2C(O)CC2(C)C(CCC12O)C1COC(=O)C=1
MolClass #156250
FLMSQRUGSHIKCT-UHFFFAOYSA-N
- CC1=CCC2C3(C)C(O)C(O)CC(C)(C)C3CC3OC(=O)C=C1C32C
MolClass #156251
CPBRPGCWCFQZEJ-UHFFFAOYSA-N
- CC12CCC(O)CC1CCC1C2CCC2(C)C(C(O)CC12O)C1COC(=O)C=1
MolClass #156252
PVAMXWLZJKTXFW-UHFFFAOYSA-N
- CC12CCC3C(CCC4(O)CC(O)CCC34C=NNC(N)=O)C1(O)CCC2C1COC(=O)C=1
MolClass #156253
GFJQQPYCTIQFPJ-UHFFFAOYSA-N
- CC1(C)C(O)C=CC2(C)C3CCC4(C)C(OC(=O)C5OC54C3(C)C(=O)CC12)c1cocc1
MolClass #156254
APNJDIVXMGGHDX-UHFFFAOYSA-N
- CC1CCC2(OC1)OC1CC3C4CCC5CC(CCC5(C)C4C(=O)C(OC(C)=O)C3(C)C1C2C)OC(C)=O
MolClass #156255
SJZHCCUPAKHVFK-UHFFFAOYSA-N
- CC1CCC2(OC1)OC1CC3C4CCC5CC(=O)CCC5(C)C4CCC3(C)C1C2C
MolClass #156256
CIBAPVLFORANSS-UHFFFAOYSA-N
- CCC(CCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(C)=O)C(C)C
MolClass #156257
PBWOIPCULUXTNY-UHFFFAOYSA-N
- COC(=O)C(C)=CCC12OC(C)(C)C3CC(C=C4C(=O)c5c(O)c6C7CC(C)(CCC7=C(C)C)Oc6c(CCC(C)(C)Cl)c5OC341)C2=O
MolClass #156258
JEDHVNXLZBFIJI-UHFFFAOYSA-N
- COC(=O)c1c(C)cc(OC(=O)c2c(C)cc(O)c(C=O)c2O)c(C)c1O
MolClass #156259
YLOYKYXNDHOHHT-UHFFFAOYSA-N
- Cc1cc(O)cc(O)c1C(=O)Oc1cc(C)c(c(O)c1)C(=O)Oc1cc(C)c(C(O)=O)c(O)c1
MolClass #156260
ATQPZSQVWCPVGV-UHFFFAOYSA-N
- CCOC(=O)C1(O)Oc2cc(OC)cc(OC)c2C(=O)C1c1ccccc1
MolClass #156261
BSEKDHRYMZTILL-UHFFFAOYSA-N
- COc1cc2CCN(C)C(Cc3ccc(O)cc3)c2cc1O
MolClass #156262
BOKVLBSSPUTWLV-UHFFFAOYSA-N
- CC(=C)C=c1ccc(=O)c(C)c1
MolClass #156263
URRXOUHZIHBLGJ-UHFFFAOYSA-N
- OCC1OC(Oc2ccc(c(O)c2)C(=O)C=Cc2ccccc2)C(O)C(O)C1O
MolClass #156264
SYDNPHFWTKACIZ-UHFFFAOYSA-N
- O=C1CC(Oc2ccccc12)c1ccccc1
MolClass #156265
ZONYXWQDUYMKFB-UHFFFAOYSA-N
- COc1cc(OC)c(cc1OC)C(=O)C=Cc1cc2OCOc2cc1OC
MolClass #156266
YCTJMCQNCJQTMG-UHFFFAOYSA-N
- COc1ccc(c(O)c1O)C(=O)c1ccc(O)cc1
MolClass #156267
YYQLEVUVEAKBKB-UHFFFAOYSA-N
- CCOc1ccc(cc1)C(=O)c1ccc(O)c(O)c1O
MolClass #156268
VYIBOCHDJVESIU-UHFFFAOYSA-N
- COc1ccc2C(=O)C(COc2c1)Cc1ccc(OC)c(O)c1
MolClass #156269
NGCXNVIQHUCZIT-UHFFFAOYSA-N
- CC(=O)OC(OC(C)=O)c1c(OC(C)=O)cc(C)c2C(=O)Oc3c(C)c(OC(C)=O)c4C(=O)OC(OC(C)=O)c4c3Oc12
MolClass #156270
WRJZHQYUZXGMTL-UHFFFAOYSA-N
- Oc1cc(O)cc(C=Cc2ccccc2)c1
MolClass #156271
YCVPRTHEGLPYPB-UHFFFAOYSA-N
- COc1cc(O)c(C(=O)c2ccccc2)c(OC)c1
MolClass #156272
RVXZNIXBABAEQZ-UHFFFAOYSA-N
- COc1ccc2C(=O)c3cc(OC)c(OC)cc3CC(=O)COc2c1OC
MolClass #156273
OAQFLNPTAZZENS-UHFFFAOYSA-N
- COc1ccc2C(=O)C(COc2c1)=Cc1ccc(OC)c(O)c1
MolClass #156274
VCNDHJFYRZQMHX-UHFFFAOYSA-N
- COc1cc2OCC3Oc4c5CCC(C)(C)Oc5ccc4C(=O)C3c2cc1OC
MolClass #156275
PSHVMULPAKPGLZ-UHFFFAOYSA-N
- COc1cc(cc(OCc2ccccc2)c1OC)C1=COc2cc(OCc3ccccc3)c(OC)c(O)c2C1=O
MolClass #156276
BDFCYBFDARSRDM-UHFFFAOYSA-N
- COc1ccc2CC(COc2c1OC)c1ccc(OC)c(OC)c1OC
MolClass #156277
AXXBADPZGFAAHF-UHFFFAOYSA-N
- COc1ccc(cc1)C(C=C)c1cc(=O)c(OC)cc1=O
MolClass #156278
FSNITHOUQGJHTR-UHFFFAOYSA-N
- OC1Cc2c(O)cc(O)cc2OC1c1cc(O)c(O)c(O)c1c1c(O)c(O)c(O)cc1C1Oc2cc(O)cc(O)c2CC1OC(=O)c1cc(O)c(O)c(O)c1
MolClass #156279
CTVAVEOYQKVFFY-UHFFFAOYSA-N
- Oc1cc(O)c2CC(OC(=O)c3cc(O)c(O)c(O)c3)C(Oc2c1)c1cc(O)c(O)c(O)c1c1c(O)c(O)c(O)cc1C1Oc2cc(O)cc(O)c2CC1OC(=O)c1cc(O)c(O)c(O)c1
MolClass #156280
YUULFXAQUWEYNP-UHFFFAOYSA-N
- Oc1cc(O)c2C=C(O)C(O)(Oc2c1)c1ccc(O)c(O)c1
MolClass #156281
QXWFRPQOSROKDE-UHFFFAOYSA-N
- CC(C)=CCCC1(C)Oc2c(CC=C(C)C)c3OC45C6CC(C=C4C(=O)c3c(O)c2C=C1)C(=O)C5(CC=C(C)C(N)=O)OC6(C)C
MolClass #156282
NFVXKLYWFCNBCO-UHFFFAOYSA-N
- CC(C)=CCCC1(C)Oc2c(CC=C(C)C)c3OC45C6CC(C=C4C(=O)c3c(O)c2C=C1)C(O)C5(CC=C(C)C(O)=O)OC6(C)C
MolClass #156283
VZXLWEWYBUGLJA-UHFFFAOYSA-N
- CC(C)=CCCC1(C)Oc2c(CC=C(C)C)c3OC45C(CC6CC4C(C)(C)OC5(CC=C(C)C(O)=O)C6O)C(=O)c3c(O)c2C=C1
MolClass #156284
CXFIQFGADOTDPF-UHFFFAOYSA-N
- COc1cc2OCOc2cc1C1=Cc2cc3ccoc3cc2OC1=O
MolClass #156285
PENSQRMNZZWMGV-UHFFFAOYSA-N
- Oc1ccc2C3Oc4cc5OCOc5cc4C3COc2c1
MolClass #156286
HUKSJTUUSUGIDC-UHFFFAOYSA-N
- CC1=COc2ccccc2C1=O
MolClass #156287
ABJKIHHNDMEBNA-UHFFFAOYSA-N
- CCOC(=O)c1c(C)cc(O)c(C)c1O
MolClass #156288
VJLLNFDLMWPNBN-UHFFFAOYSA-N
- Cl.CC(N)C(O)c1ccc(O)c(O)c1
MolClass #156289
YRJLEOWRVNBAOI-UHFFFAOYSA-N
- COc1cc(C(O)=O)c(O)c2OCOc12
MolClass #156290
CYZVRAUHGNBXIO-UHFFFAOYSA-N
- COc1cc(cc(OC)c1OC)C(O)=O
MolClass #156291
SJSOFNCYXJUNBT-UHFFFAOYSA-N
- CCC(C)C1=CN=C(CC(C)C)C(=O)N1O
MolClass #156292
IUZCDJYHMMWBBE-UHFFFAOYSA-N
- COC(=O)c1c(C)cc(OC)cc1O
MolClass #156293
PFVPJOAAHSOENR-UHFFFAOYSA-N
- Oc1cc(O)c(c(O)c1)C(=O)C=Cc1ccccc1
MolClass #156294
LOYXTWZXLWHMBX-UHFFFAOYSA-N
- CC(=O)c1c(O)c(C)c(O)c2c1oc1c(C(C)=O)c(O)c(C)c(O)c12
MolClass #156295
ITNAPFQWGONXRC-UHFFFAOYSA-N
- [O-][N+](=O)CCC(=O)OCC1OC(O)C(OC(=O)CC[N+]([O-])=O)C(OC(=O)CC[N+]([O-])=O)C1OC(=O)CC[N+]([O-])=O
MolClass #156296
JMPKPWBLQUWFHQ-UHFFFAOYSA-N
- COc1cc2OCC3Oc4c5C=CC(C)(C)Oc5cc(O)c4C(=O)C3c2cc1OC
MolClass #156297
JLTNCZQNGBLBGO-UHFFFAOYSA-N
- COc1ccc(cc1)C1Oc2cccc(OC)c2C(=O)C=1
MolClass #156298
LUCPCQIWHDVLMX-UHFFFAOYSA-N
- COc1cc2OCC3Oc4c5CCC(C)(C)Oc5cc(OC)c4C(=O)C3c2cc1OC
MolClass #156299
CVQCSURDIPGMJV-UHFFFAOYSA-N
- Br.CC(N)Cc1ccc(O)cc1
MolClass #156300
RZCJLMTXBMNRAD-UHFFFAOYSA-N
- COc1cc(C=CC=O)cc(OC)c1OC
MolClass #156301
XDSHNNRBLSBDAP-UHFFFAOYSA-N
- COc1cc(OC)c2CC(OC(=O)c3cc(OC)c(OC)c(OC)c3)C(Oc2c1)c1cc(OC)c(OC)c(OC)c1
MolClass #156302
SUPBGWCBZUZDOP-UHFFFAOYSA-N
- COc1ccc(cc1)C1=C(O)c2cc3CCC(C)(C)Oc3c(CC=C(C)C)c2OC1=O
MolClass #156303
ROABBLWPBJCOBT-UHFFFAOYSA-N
- OC1Cc2c(O)cc(O)cc2OC1c1cc(O)c(O)c2C(=O)C(O)=CC=Cc12
MolClass #156304
SPQGLWVRJNKSPU-UHFFFAOYSA-N
- Cc1cccc(C(O)=O)c1O
MolClass #156305
WHSXTWFYRGOBGO-UHFFFAOYSA-N
- COc1cc(OC)cc(OC)c1
MolClass #156306
LKUDPHPHKOZXCD-UHFFFAOYSA-N
- CC(C)CCCC(C)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC4(C)C=3CCC12C
MolClass #156307
MBZYKEVPFYHDOH-UHFFFAOYSA-N
- COC1CC(CCc2ccc(OC)c(OC)c2)OC(=O)C=1
MolClass #156308
HEURTYMJWQPWNN-UHFFFAOYSA-N
- CC(=O)Oc1cc2OC=C(C(=O)c2c(OC(C)=O)c1)c1ccccc1
MolClass #156309
YEFUOTHMMSEDPT-UHFFFAOYSA-N
- COc1cc(C)c2C(=O)c3c(O)cc(OC)cc3Oc2c1
MolClass #156310
QDLAGTHXVHQKRE-UHFFFAOYSA-N
- COc1cc(C)c2C(=O)c3c(O)cc(O)cc3Oc2c1
MolClass #156311
RFENQGQGMLPVJM-UHFFFAOYSA-N
- COc1ccc(cc1)C1C(=O)Oc2cc3OC(C)(C)C=Cc3c(OC)c2C=1OC
MolClass #156312
UPHWJAWTGRBPAJ-UHFFFAOYSA-N
- CC(=O)OC1CCC2(C)C(CCC3(C)C2CCC2C4CC(C)(C)CCC4(CCC23C)C(O)=O)C1(C)C
MolClass #156313
YDHTWQABZAECEX-UHFFFAOYSA-N
- COC1=CC=Cc2cc(OC)c(OC)c(OC)c2C1=O
MolClass #156314
ZEEDZJJOWWIIFH-UHFFFAOYSA-N
- CC(CCC(O)=O)C1CCC2C3CC(O)C4CC(O)CCC4(C)C3CCC12C
MolClass #156315
DGABKXLVXPYZII-UHFFFAOYSA-N
- COC(=O)CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C
MolClass #156316
ZHUOOEGSSFNTNP-UHFFFAOYSA-N
- CCC(C=CC(C)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C(C)C
MolClass #156317
MKGZDUKUQPPHFM-UHFFFAOYSA-N
- CC(C)CCCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C
MolClass #156318
QYIXCDOBOSTCEI-UHFFFAOYSA-N
- Cc1ccc2CCC3C(C)(CCCC3(C)c2c1)C(O)=O
MolClass #156319
MDCJZYVLAQVNDM-UHFFFAOYSA-N
- CC(C=C)=CCC1C(C)(O)CCC2C(C)(C)CCCC21C
MolClass #156320
ZAZVCYBIABTSJR-UHFFFAOYSA-N
- CC1(C)CC2C1CCC1(CBr)CCC3C(CC(O)=O)C(=O)OC32C1
MolClass #156321
CWCXONZIEDNVKI-UHFFFAOYSA-N
- CC(O)(CCC1C(=C)CCC2C(C)(CO)CCCC12C)C=C
MolClass #156322
IERFAZQCIAZODG-UHFFFAOYSA-N
- CC1CCC2OC2(C)CC=CC(C)(C)CC=1
MolClass #156323
QTGAEXCCAPTGLB-UHFFFAOYSA-N
- CC1C2CC(CC1=NO)C2(C)C
MolClass #156324
PLKZJFBLYSCGKF-UHFFFAOYSA-N
- CC1CCC2C(CC2(C)C)C(=O)CCC=1
MolClass #156325
MBZBBVTYLUNZPJ-UHFFFAOYSA-N
- COc1ccc(cc1)C1Oc2cc(OC)cc(OC)c2C(=O)C=1
MolClass #156326
ZXJJBDHPUHUUHD-UHFFFAOYSA-N
- COc1c(C)c2OC(=O)c3c(C)c(Cl)c(OC)c(Cl)c3Oc2c(C)c1Cl
MolClass #156327
NMKMPXIOWNJECX-UHFFFAOYSA-N
- COc1ccc2c(CCC3C(C)(C)C(=O)CCC32C)c1C(C)C
MolClass #156328
FKAHPGYZYOKISC-UHFFFAOYSA-N
- COc1cc(OC)c(c(OC)c1)c1c(OC)cc(OC)cc1OC
MolClass #156329
PKTVMNKLPFVXBH-UHFFFAOYSA-N
- [O-][N+](O)=O.COc1ccc2cc3c4cc(OC)c(OC)cc4CC[n+]3cc2c1OC
MolClass #156330
HNLVPMBHGHSGRS-UHFFFAOYSA-N
- COc1cc(OC)c2C(=O)C(O)=C(Oc2c1)c1ccc(OC)c(OC)c1
MolClass #156331
AAASNKNLMQBKFV-UHFFFAOYSA-N
- Cc1cc(O)c2C(=O)c3c(O)cccc3Cc2c1
MolClass #156332
ZZBWSNKBZKPGAK-UHFFFAOYSA-N
- CC1(C)C(O)CC(O)C2(C)C3CCC4(C)C(OC(=O)C5OC54C3(C)C(=O)CC12)C(O)=O
MolClass #156333
GRWNQQFCIXHAHI-UHFFFAOYSA-N
- Oc1ccccc1C(=O)Nc1ccccc1
MolClass #156334
WKEDVNSFRWHDNR-UHFFFAOYSA-N
- CC1CCC2(CCC3(C)C(=CC(=O)C4C5(C)CCC(OC(C)=O)C(C)(C)C5CCC43C)C2C1C)C(O)=O
MolClass #156335
XDHCWTUZCOFKRH-UHFFFAOYSA-N
- CC1CCC2C(CC2(C)C)C(=C)CCC1=O
MolClass #156336
GWBJPNAWYMBRLQ-UHFFFAOYSA-N
- NC(CSCSCC(N)C(O)=O)C(O)=O
MolClass #156337
JMQMNWIBUCGUDO-UHFFFAOYSA-N
- OC(=O)CCCCCCCCCCCCC1CCC=C1
MolClass #156338
XMVQWNRDPAAMJB-UHFFFAOYSA-N