Molecule directory
Explore structures, source datasets and saved model predictions for molecules registered in MolClass.
Search by molecule name, identifier or structure →- [BrH-].CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
MolClass #155239
NHVZKYKPHGSIPM-UHFFFAOYSA-N
- O.Cl.Cl.CN1CCc2cccc3c2C1Cc1ccc(O)c(O)c13.CN1CCc2cccc3c2C1Cc1ccc(O)c(O)c13
MolClass #155240
CXWQXGNFZLHLHQ-UHFFFAOYSA-N
- COc1ccc2CC3N(C)CCc4cc(OC)c(OC)c(c34)c2c1O
MolClass #155241
QELDJEKNFOQJOY-UHFFFAOYSA-N
- CC(=O)NC(CC(=O)NC(CCC(O)=O)C(O)=O)C(O)=O
MolClass #155242
GUCKKCMJTSNWCU-UHFFFAOYSA-N
- OC(=O)C=CC(O)=O.S=C(NC1CCCCC1)N1CCC(CC1)C1C=NC=N1
MolClass #155243
GQFLBNXAIJPPJM-UHFFFAOYSA-N
- Cl.CCCCNc1c2cnn(CC)c2nc(C)c1C(=O)OCC
MolClass #155244
TUIXDPUEMQXVHO-UHFFFAOYSA-N
- O.NC(CCONC(N)=N)C(O)=O.OS(O)(=O)=O
MolClass #155245
BNZYVMUIGJIRTN-UHFFFAOYSA-N
- Cl.CCCC1CC(N(C)C1)C(=O)NC(C(C)O)C1OC(SC)C(O)C(O)C1O
MolClass #155246
POUMFISTNHIPTI-UHFFFAOYSA-N
- Cl.CN1C(CCCC1CC(O)c1ccccc1)CC(O)c1ccccc1
MolClass #155247
IDPAEJSVXMLVBS-UHFFFAOYSA-N
- COC1=CC2C(C1=O)C1C(CCc3cc(OC)c(OC)c(OC)c3C2=1)NC(C)=O
MolClass #155248
VKPVZFOUXUQJMW-UHFFFAOYSA-N
- O.[Na+].[O-]P1(=O)OCC2C(OC(C2OC(=O)CCC)n2cnc3c(NC(=O)CCC)ncnc23)O1
MolClass #155249
ASUSWJVFSJFICF-UHFFFAOYSA-M
- [Na+].[Na+].[O-]C(=O)C(C(=O)NC1(OC)C2OCC(CSc3nnnn3C)=C(N2C1=O)C([O-])=O)c1ccc(O)cc1
MolClass #155250
GRIXGZQULWMCLU-UHFFFAOYSA-L
- O.O.Cl.Oc1ccc2CC3N(CCC45C(Oc1c24)C(=O)CCC35O)CC1CC1
MolClass #155251
RMRRPHDKLROLJJ-UHFFFAOYSA-N
- O.CC1OC(OC2C(O)C(O)C(CO)OC2Oc2cc(O)c3C(=O)CC(Oc3c2)c2ccc(O)cc2)C(O)C(O)C1O
MolClass #155252
CPNHAWBPPPWRLN-UHFFFAOYSA-N
- Cl.CN1CCOC(c2ccccc2)c2ccccc2C1
MolClass #155253
CNNVSINJDJNHQK-UHFFFAOYSA-N
- COc1cc2CCC(N)C3=CC(=O)C(O)=CC=C3c2c(OC)c1OC
MolClass #155254
IRVWPZRYDQROLU-UHFFFAOYSA-N
- CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C)C(O)=O
MolClass #155255
WCGUUGGRBIKTOS-UHFFFAOYSA-N
- O.O.O.O.O.O.O.O.CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(CCC5(O)C4CCC3(O)C2)C2COC(=O)C=2)C(O)C(O)C1O
MolClass #155256
TYBARJRCFHUHSN-UHFFFAOYSA-N
- [ClH-].COc1ccc2cc3c4cc(OC)c(OC)cc4CC[n+]3cc2c1OC
MolClass #155257
UFYCBKVSZYCFIZ-UHFFFAOYSA-N
- Cl.Cc1ccc(cc1)N(CC1NCCN=1)c1cccc(O)c1
MolClass #155258
TUEJFGFQYKDAPM-UHFFFAOYSA-N
- Cl.CC(N)C(O)c1ccccc1
MolClass #155259
DYWNLSQWJMTVGJ-UHFFFAOYSA-N
- COc1cc(C=CC(=O)N2CCC=CC2=O)cc(OC)c1OC
MolClass #155260
VABYUUZNAVQNPG-UHFFFAOYSA-N
- Cl.CN(C)CCCOc1nn(Cc2ccccc2)c2ccccc12
MolClass #155261
HNNIWKQLJSNAEQ-UHFFFAOYSA-N
- COc1cc(NC(C)CCCN)c2ncccc2c1.OP(O)(O)=O.OP(O)(O)=O
MolClass #155262
GJOHLWZHWQUKAU-UHFFFAOYSA-N
- Cl.Cl.CCCCC(CC)CNC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)NCC(CC)CCCC
MolClass #155263
BRJJFBHTDVWTCJ-UHFFFAOYSA-N
- Cl.CN1C2CCCC1CC(=O)C2
MolClass #155264
CVGRGXQEVKWHHS-UHFFFAOYSA-N
- CN1CCCN=C1C=Cc1sccc1.OC(C(O)C(O)=O)C(O)=O
MolClass #155265
VWRCYAZJKNPEQR-UHFFFAOYSA-N
- C1CCN2CC3CC(CN4CCCCC34)C2C1
MolClass #155266
SLRCCWJSBJZJBV-UHFFFAOYSA-N
- O.CC(=O)N([Na])S(=O)(=O)c1ccc(N)cc1
MolClass #155267
IHCDKJZZFOUARO-UHFFFAOYSA-M
- Cl.[O-]C(=O)C1CCC[N+]1(C)C
MolClass #155268
DUNMULOWUUIQIL-UHFFFAOYSA-N
- CNC1C(O)C(O)C(CO)OC1OC1C(OC(C)C1(O)C=O)OC1C(O)C(O)C(NC(N)=N)C(O)C1NC(N)=N.CNC1C(O)C(O)C(CO)OC1OC1C(OC(C)C1(O)C=O)OC1C(O)C(O)C(NC(N)=N)C(O)C1NC(N)=N.OS(O)(=O)=O.OS(O)(=O)=O.OS(O)(=O)=O
MolClass #155269
QTENRWWVYAAPBI-UHFFFAOYSA-N
- COc1cc2c(CC3N(C)CCc4cc(O)c(OC)c2c34)cc1O
MolClass #155270
LZJRNLRASBVRRX-UHFFFAOYSA-N
- Nc1nc(S)c2ncn(C3OC(CO)C(O)C3O)c2n1
MolClass #155271
OTDJAMXESTUWLO-UHFFFAOYSA-N
- [K+].[K+].[O-]S(=O)(=O)OC1C(CO)OC(OC2CC(C3CCC45CC(CCC4C3(C)C2)C(=C)C5O)C(O)=O)C(OC(=O)CC(C)C)C1OS([O-])(=O)=O
MolClass #155272
IUCNQFHEWLYECJ-UHFFFAOYSA-L
- CC1CCC2(NC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2C
MolClass #155273
XYNPYHXGMWJBLV-UHFFFAOYSA-N
- Cl.Cl.C1CCN(C1)CC#CCN1CCCC1
MolClass #155274
ASHYBFCDTYPECZ-UHFFFAOYSA-N
- [Na+].[O-]C(=O)C1N2C(SC1(C)C)C(NC(=O)C(NC(=O)N1CCNC1=O)c1ccccc1)C2=O
MolClass #155275
UVOCNBWUHNCKJM-UHFFFAOYSA-M
- [ClH-].O.O.O.O.O.Cl.COc1cc2CCN(C)C3Cc4cccc(Oc5c(O)c(OC)cc6CC[N+](C)(C)C(Cc7ccc(O)c(Oc1cc32)c7)c65)c4
MolClass #155276
YIFRQTVQGIXYGO-UHFFFAOYSA-O
- CCC12CCCN3CCc4c5ccccc5n(c4C31)C(O)(C2)C(=O)OC
MolClass #155277
RXPRRQLKFXBCSJ-UHFFFAOYSA-N
- CC(CCC(O)=O)C1CCC2C3C(CC(=O)C12C)C1(C)CCC(=O)CC1CC3=O
MolClass #155278
OHXPGWPVLFPUSM-UHFFFAOYSA-N
- CCN1CC2(COC)C(O)CC(OC)C34C5CC6(O)C(OC)C(O)C(OC(C)=O)(C5C6OC(=O)c5ccccc5)C(C(OC)C23)C14
MolClass #155279
XFSBVAOIAHNAPC-UHFFFAOYSA-N
- Cl.CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1
MolClass #155280
QVPSGVSNYPRFAS-UHFFFAOYSA-N
- OC(C1CC2CCN1CC2C=C)c1ccnc2ccccc21
MolClass #155281
KMPWYEUPVWOPIM-UHFFFAOYSA-N
- Cl.Clc1ccccc1CN1CCc2sccc2C1
MolClass #155282
MTKNGOHFNXIVOS-UHFFFAOYSA-N
- Cl.C1CN=C(Cc2cccc3ccccc23)N1
MolClass #155283
DJDFFEBSKJCGHC-UHFFFAOYSA-N
- CN1CCCN=C1C=Cc1sccc1C.OC(C(O)C(O)=O)C(O)=O
MolClass #155284
GGXQONWGCAQGNA-UHFFFAOYSA-N
- COC1CC(OC(C)C1O)OC1C(C)C(OC2OC(C)CC(C2O)N(C)C)C(C)CC2(CO2)C(=O)C(C)C(O)C(C)C(C)OC(=O)C1C.OP(O)(O)=O
MolClass #155285
RLPCJGKQKFMBEI-UHFFFAOYSA-N
- Cl.CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(c1)C(C)=O
MolClass #155286
KTUFKADDDORSSI-UHFFFAOYSA-N
- COC12CC(COC(=O)c3cncc(Br)c3)CN(C)C1Cc1cn(C)c3cccc2c13
MolClass #155287
YSEXMKHXIOCEJA-UHFFFAOYSA-N
- CCC(=O)OC1CC(=O)OC(C)CC=CC=CC(O)C(C)CC(CC=O)C(OC2OC(C)C(OC3CC(C)(O)C(OC(=O)CC)C(C)O3)C(C2O)N(C)C)C1OC
MolClass #155288
DMUAPQTXSSNEDD-UHFFFAOYSA-N
- COC1C(CC(=O)OC(C)CC=CC=CC(O)C(C)CC(CC=O)C1OC1OC(C)C(OC2CC(C)(OC(=O)CC(C)C)C(O)C(C)O2)C(C1O)N(C)C)OC(C)=O
MolClass #155289
UKNSBNVKSFTZOJ-UHFFFAOYSA-N
- Cl.CN(C)C(=N)NC(N)=N
MolClass #155290
OETHQSJEHLVLGH-UHFFFAOYSA-N
- [O-]S(=O)(=O)OC.C[N+]1(C)CCC(CC1)=C(c1ccccc1)c1ccccc1
MolClass #155291
BREMLQBSKCSNNH-UHFFFAOYSA-M
- OCC1OC(CC1O)N1C=C(I)C(=O)NC1=O
MolClass #155292
XQFRJNBWHJMXHO-UHFFFAOYSA-N
- Cl.COc1cc(cc(OC)c1OC)C(=O)NCc1ccc(OCCN(C)C)cc1
MolClass #155293
WIIZEEPFHXAUND-UHFFFAOYSA-N
- COc1ccc2CC3N(CCc4cc(OC)c(O)cc34)Cc2c1O
MolClass #155294
KNWVMRVOBAFFMH-UHFFFAOYSA-N
- CC12CCC3C(CCC4=CCCCC34)C1CCC2(O)C#C
MolClass #155295
YNVGQYHLRCDXFQ-UHFFFAOYSA-N
- Cl.Cl.Cc1cccc(CN2CCN(CC2)C(c2ccccc2)c2ccc(Cl)cc2)c1
MolClass #155296
VCTHNOIYJIXQLV-UHFFFAOYSA-N
- CN(C)S(=O)(=O)c1ccc2Sc3ccccc3N(CCCN3CCN(C)CC3)c2c1.CS(O)(=O)=O.CS(O)(=O)=O
MolClass #155297
QPMDKXBBAVQDCB-UHFFFAOYSA-N
- Cl.OC(C1CCCCN1)c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F
MolClass #155298
WESWYMRNZNDGBX-UHFFFAOYSA-N
- O.COc1ccc(cc1C(=O)NCc1cccnc1)C(=O)NCc1cccnc1
MolClass #155299
ICYQAMNVLLHURR-UHFFFAOYSA-N
- CCC1=C(C)CN(C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC2CCC(C)CC2)C1=O
MolClass #155300
WIGIZIANZCJQQY-UHFFFAOYSA-N
- O.Nc1ncnc2n(cnc12)C1OC(COP(O)(O)=O)C(O)C1O
MolClass #155301
ZOEFQKVADUBYKV-UHFFFAOYSA-N
- Cl.NC(=N)NC(=N)N1CCOCC1
MolClass #155302
FXYZDFSNBBOHTA-UHFFFAOYSA-N
- NC(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O
MolClass #155303
XUIIKFGFIJCVMT-UHFFFAOYSA-N
- CC(C)C(C)C=CC(C)C1CCC2C(CCCC12C)=CC=C1CC(O)CCC1=C
MolClass #155304
MECHNRXZTMCUDQ-UHFFFAOYSA-N
- NC12CC3CC(CC(C3)C1)C2.OC(=O)C=CC(O)=O
MolClass #155305
FCPWWNYHIIPYKE-UHFFFAOYSA-N
- COC1CC(OC(=O)C=1)C=Cc1ccccc1
MolClass #155306
XEAQIWGXBXCYFX-UHFFFAOYSA-N
- Br.[O-][N+]1(C)C2CC(CC1C1OC12)OC(=O)C(CO)c1ccccc1
MolClass #155307
MGNNYKWRWHQLCR-UHFFFAOYSA-N
- OCC(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)C(O)=O
MolClass #155308
JYTUSYBCFIZPBE-UHFFFAOYSA-N
- Br.CC1NCCc2cc(O)c(O)cc12
MolClass #155309
OGMGXKJQIOUTTB-UHFFFAOYSA-N
- [O-]P(=O)(OC(C)CNC(=O)CCC1(C)C(CC(N)=O)C2N=C1C(C)=C1N=C(C=C3N=C(C(C)=C4C(CCC(N)=O)C(C)(CC(N)=O)C2(C)N4[Co+]C#N)C(C)(CC(N)=O)C3CCC(N)=O)C(C)(C)C1CCC(N)=O)OC1C(O)C(OC1CO)n1cnc2cc(C)c(C)cc12
MolClass #155310
RMRCNWBMXRMIRW-UHFFFAOYSA-L
- Cl.CC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1
MolClass #155311
NJXWZWXCHBNOOG-UHFFFAOYSA-N
- CN1CCCN=C1C=Cc1cccc(O)c1.CN1CCCN=C1C=Cc1cccc(O)c1.OC(=O)c1c(O)cc2ccccc2c1Cc1c2ccccc2cc(O)c1C(O)=O
MolClass #155312
WSYDAPQDBDVYIO-UHFFFAOYSA-N
- CN(C(C)=O)c1c(I)c(NC(C)=O)c(I)c(C(=O)NC2C(O)OC(CO)C(O)C2O)c1I
MolClass #155313
BAQCROVBDNBEEB-UHFFFAOYSA-N
- Cl.CCN(CC)CCNC(=O)COc1ccc(OC)cc1
MolClass #155314
AXBHPHPHZHAOAK-UHFFFAOYSA-N
- O.Cl.COc1ccc2nccc(C(O)C3CC4CCN3CC4C=C)c2c1
MolClass #155315
SGVZDMWHXVXUBY-UHFFFAOYSA-N
- NCCC(O)C(=O)NC1CC(N)C(OC2OC(CN)C(O)C(O)C2N)C(OC2OC(CO)C(O)C2O)C1O.OS(O)(=O)=O.OS(O)(=O)=O
MolClass #155316
JBEJXNWZBGTDKN-UHFFFAOYSA-N
- CC(N)C(O)c1cccc(O)c1.OC(C(O)C(O)=O)C(O)=O.OC(C(O)C(O)=O)C(O)=O
MolClass #155317
DUIFOMJYEIAMGH-UHFFFAOYSA-N
- Cl.Cl.CN1CCCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1
MolClass #155318
JLVFQWFTNVMTEG-UHFFFAOYSA-N
- COC1CC(OC(C)C1OC(C)=O)OC1C(C)C(OC2OC(C)CC(C2OC(C)=O)N(C)C)C(C)CC2(CO2)C(=O)C(C)C(OC(C)=O)C(C)C(C)OC(=O)C1C
MolClass #155319
LQCLVBQBTUVCEQ-UHFFFAOYSA-N
- NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O.OS(O)(=O)=O
MolClass #155320
OOYGSFOGFJDDHP-UHFFFAOYSA-N
- Cl.Clc1ccc(OCC(=O)N2CCN(CC2)Cc2ccc3OCOc3c2)cc1
MolClass #155321
MVOWQBJZZKOQNU-UHFFFAOYSA-N
- CN1CCc2n(Cc3ccccc3)c3ccccc3c2C1.CN1CCc2n(Cc3ccccc3)c3ccccc3c2C1.OS(=O)(=O)c1cccc2c1cccc2S(O)(=O)=O
MolClass #155322
CJUOSBUQOWKEKJ-UHFFFAOYSA-N
- Cl.NN=C1N=NC=C2C=CC=CC21
MolClass #155323
SECXUXOCDLQOBI-UHFFFAOYSA-N
- O.O.NCCCCC(NC(CCc1ccccc1)C(O)=O)C(=O)N1CCCC1C(O)=O
MolClass #155324
CZRQXSDBMCMPNJ-UHFFFAOYSA-N
- Cl.NC(=N)NC(=N)NCCc1ccccc1
MolClass #155325
YSUCWSWKRIOILX-UHFFFAOYSA-N
- CC1CC2C3CCC(O)(C(=O)CO)C3(C)CC(O)C2C2(C)C=CC(=O)C=C12
MolClass #155326
VHRSUDSXCMQTMA-UHFFFAOYSA-N
- CC(C(O)c1ccc(O)cc1)N1CCC(CC1)Cc1ccccc1.OC(C(O)C(O)=O)C(O)=O
MolClass #155327
FFYMSFGBEJMSFP-UHFFFAOYSA-N
- Cl.COc1ccc(OC)c(c1)C(O)CNC(=O)CN
MolClass #155328
MGCQZNBCJBRZDT-UHFFFAOYSA-N
- Cl.CN(C)C1C2CC3Cc4c(ccc(O)c4C(=O)C3=C(O)C2(O)C(=O)C(C(N)=O)=C1O)N(C)C
MolClass #155329
GLMUAFMGXXHGLU-UHFFFAOYSA-N
- Cl.Cl.COc1ccc(CC(N)C(=O)NC2C(O)C(OC2CO)n2cnc3c(ncnc23)N(C)C)cc1
MolClass #155330
MKSVFGKWZLUTTO-UHFFFAOYSA-N
- Cl.OCC(O)COC(=O)c1ccccc1Nc1ccnc2cc(Cl)ccc12
MolClass #155331
CEUMONXVSJOJIH-UHFFFAOYSA-N
- O.O.CN(C)C1C2C(O)C3C(=C(O)C2(O)C(=O)C(C(N)=O)=C1O)C(=O)c1c(O)cccc1C3(C)O
MolClass #155332
SRRPEXWCHWWJOC-UHFFFAOYSA-N
- CCC(C)C(=O)OC1C(O)C2C(CN3CC(C)CCC3C2(C)O)C2CC34OC5(O)C(CCC3(C)C5C(OC(C)=O)C(OC(C)=O)C4C21O)OC(=O)C(C)(O)CC
MolClass #155333
HYTGGNIMZXFORS-UHFFFAOYSA-N
- O.COc1c(O)cc2C(=O)OC3C(O)C(O)C(CO)OC3c2c1O
MolClass #155334
QCWSXSAFDSGKAT-UHFFFAOYSA-N
- Cl.NCc1ccc(cc1)S(N)(=O)=O
MolClass #155335
SIACJRVYIPXFKS-UHFFFAOYSA-N
- Cl.Nc1sc2cc(OC(F)(F)F)ccc2n1
MolClass #155336
QEAOELIJQRYJJS-UHFFFAOYSA-N
- CC1C(=O)OC2CC34C5CC(C(C)(C)C)C63C(O)C(=O)OC6OC4(C(=O)O5)C12O
MolClass #155337
FPUXKXIZEIDQKW-UHFFFAOYSA-N
- CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3(F)C(=O)CC21C
MolClass #155338
UUHYILPJUKGJDI-UHFFFAOYSA-N