Molecule directory
Explore structures, source datasets and saved model predictions for molecules registered in MolClass.
Search by molecule name, identifier or structure →- Cc1cc(C)c(c(C)c1)C(=O)Nc1cccc(c1)C(=O)Nc1ccccc1Cl
MolClass #152239
GYDKGNQOLRMWBT-UHFFFAOYSA-N
- CC1(C)CC(=O)C(=CNc2ccccc2F)C(=O)C1
MolClass #152240
RYLHXROHLVZQGH-UHFFFAOYSA-N
- CC1NC(=O)NC(c2cccc(F)c2)C=1C(=O)OCCOc1ccccc1
MolClass #152241
LJQJRAPSNUOHEM-UHFFFAOYSA-N
- COc1ccc(OC)c(c1)C1NC(=S)NC(C)=C1C(=O)OC1CCCC1C
MolClass #152242
RZDOTCZXBHELGP-UHFFFAOYSA-N
- CC(=O)N(C1CCCCC1)c1c(Cl)c(=O)c2ccccc2c1=O
MolClass #152243
NVNGUFUOKYOUJL-UHFFFAOYSA-N
- Cc1ccc(N=Cc2oc(cc2)c2ccc(Cl)cc2Cl)c(O)c1
MolClass #152244
NPHGERLOGQSKNQ-UHFFFAOYSA-N
- CC1(C)CC(=O)C(=CNc2ccc3CCCc3c2)C(=O)C1
MolClass #152245
TWGADZLSOLVYKM-UHFFFAOYSA-N
- CCCCSC(N)=NN=Cc1ccccc1O
MolClass #152246
HUKIZSUOJDBGTC-UHFFFAOYSA-N
- [O-][N+](=O)c1ccccc1S(=O)(=O)Nc1cccc(Br)c1
MolClass #152247
YETJCURINQNGDG-UHFFFAOYSA-N
- CCc1ccc(OCC(=O)NN=Cc2cccc(OC)c2)cc1
MolClass #152248
FPYSLDGMEIRSFL-UHFFFAOYSA-N
- Ic1ccccc1C=NNC(=O)c1occc1
MolClass #152249
RKLYRXKPVYTGPV-UHFFFAOYSA-N
- [BrH-].Clc1ccc(C=NNC(=O)c2cc[n+](CC(=O)c3ccccc3)cc2)c(Cl)c1
MolClass #152250
KGNISGVBSGUJTF-UHFFFAOYSA-O
- CC(=NOCC(=O)NN=Cc1ccccc1)c1sccc1
MolClass #152251
XHQOYRYQCJQUGZ-UHFFFAOYSA-N
- COc1ccc(cc1)S(=O)(=O)Nc1ccc(Br)c(C)c1
MolClass #152252
GLRZZZKAVHGXDC-UHFFFAOYSA-N
- O=C(NCc1ccccn1)C(=O)NN=Cc1cccc2ccccc21
MolClass #152253
BSWHBDMPGBZTOT-UHFFFAOYSA-N
- Cc1cc(Cl)ccc1OCC(=O)NCCc1ccccc1
MolClass #152254
LUFUXAWVNDYWGA-UHFFFAOYSA-N
- O=C(NN=Cc1cccc2ccccc21)c1occc1
MolClass #152255
ROLSLRAWIZQQPN-UHFFFAOYSA-N
- COc1ccc(Cl)cc1N(CC(=O)NC1CC2CCC1C2)S(=O)(=O)c1ccc(C)cc1
MolClass #152256
ZOFVMAZYNVBZSV-UHFFFAOYSA-N
- Cc1cccc(OCC(=O)NN=C(C)c2occc2)c1
MolClass #152257
GXNRDBSRNAMEEK-UHFFFAOYSA-N
- Fc1ccc(OCC(=O)NN=Cc2ccccc2Br)cc1
MolClass #152258
JGQYPJYTCUORBK-UHFFFAOYSA-N
- CCN(CC)c1ccc(C=Nc2ccc3ccccc3c2)c(O)c1
MolClass #152259
ZPWZBHBIVYNHNZ-UHFFFAOYSA-N
- CC(=O)NC(=Cc1ccc2OCOc2c1)C(=O)Nc1ccccc1
MolClass #152260
HCXXSAYDZRIMFP-UHFFFAOYSA-N
- COc1ccc(C=CC(=O)NC(C)Cc2ccccc2)cc1OC
MolClass #152261
QXNUJALXFYSZSY-UHFFFAOYSA-N
- CC(Oc1cccc(Cl)c1)C(=O)NN=Cc1cccc(CC=C)c1O
MolClass #152262
SRQXONQWOGHRFF-UHFFFAOYSA-N
- OC(C(=O)NN=Cc1oc(cc1)c1ccc(Br)cc1)c1ccccc1
MolClass #152263
JZMUVMDZSZRPCS-UHFFFAOYSA-N
- FC(F)(F)c1nc2ccccc2n1CC(=O)c1ccccc1
MolClass #152264
KQFDZUJYNWHPPF-UHFFFAOYSA-N
- Oc1cccc(c1)N1C(=S)SC(=Cc2ccccc2Cl)C1=O
MolClass #152265
ZYCUVTKINOHANK-UHFFFAOYSA-N
- CN(C)c1ccc(cc1)C=NNC(=O)CON=C(C)c1sccc1
MolClass #152266
ADBUSBKQOLMLDC-UHFFFAOYSA-N
- [O-][N+](=O)c1cccc(c1)C(=O)NNC(=S)NC1CCCCC1
MolClass #152267
IFQHXUKIBXBDBC-UHFFFAOYSA-N
- Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1
MolClass #152268
RWRQOFQLWGJFER-UHFFFAOYSA-N
- ON=C(CCCC(=NO)c1ccc(F)cc1)c1ccc(F)cc1
MolClass #152269
LKCRVSJZLQAMSA-UHFFFAOYSA-N
- [O-][N+](=O)c1ccccc1C(=O)NN=CC(Br)=Cc1ccccc1
MolClass #152270
PARZEVOWWRKIID-UHFFFAOYSA-N
- Oc1ccc(C=NNC(=O)Cc2cccc3ccccc23)cc1O
MolClass #152271
JULIFZRPLNVVLR-UHFFFAOYSA-N
- CC(Oc1ccccc1Br)C(=O)NN=Cc1ccc(Cl)cc1
MolClass #152272
IIIQPNNYBPIYCF-UHFFFAOYSA-N
- Clc1ccc(OCC(=O)NN=CC2CCCCC2)cc1
MolClass #152273
HXKIWAYLFDJNQH-UHFFFAOYSA-N
- Cc1nc2ccccc2n1CCOc1ccccc1
MolClass #152274
VVTVADLSZISYBN-UHFFFAOYSA-N
- Clc1ccc(OCCCC(=O)Nc2cccnc2)c(Cl)c1
MolClass #152275
UYOUQYPPTLVSTN-UHFFFAOYSA-N
- COC(=O)c1cc(ccc1Cl)S(=O)(=O)Nc1ccc(Br)cc1
MolClass #152276
WZVYULKTYGPZSB-UHFFFAOYSA-N
- Cc1cc(I)ccc1NC(=O)C1CC2CCC1C2
MolClass #152277
GPGAJOBVZNJYON-UHFFFAOYSA-N
- Cc1cc(NCc2ccccn2)ccc1Br
MolClass #152278
UOHWUQBNVLHKLT-UHFFFAOYSA-N
- CC1(C)CC(=O)C(=CN2CCN(CC2)C(=O)c2occc2)C(=O)C1
MolClass #152279
GTIFOZICXBXELE-UHFFFAOYSA-N
- CCCOc1ccc(cc1)c1ccc(cc1)C(O)=O
MolClass #152280
ACCMUAPHRVODJN-UHFFFAOYSA-N
- Clc1ccc(OCC(=O)NN=Cc2cccc(Br)c2)cc1
MolClass #152281
DZCPXYMETSMYKE-UHFFFAOYSA-N
- CCN1C(=O)c2cccc3c(ccc(C1=O)c23)C(=O)c1ccccc1
MolClass #152282
MFNDTSBYUVRRED-UHFFFAOYSA-N
- [O-][N+](=O)c1cc(Br)c(O)c(C=Nc2ccc(C)cn2)c1
MolClass #152283
ZISMGQFNRRYYBC-UHFFFAOYSA-N
- Clc1ccc(OCCCC(=O)Nc2ccncc2)c(Cl)c1
MolClass #152284
PMDAFSWMNJQAIE-UHFFFAOYSA-N
- CC(=NNC(=O)CC1(C)OCCO1)c1cccc(I)c1
MolClass #152285
YHTVOROMNMJUEG-UHFFFAOYSA-N
- Clc1ccc(COc2ccc(cc2)C=C2C(=O)NC(=S)NC2=O)c(Cl)c1
MolClass #152286
UNBQBOVBSBBRPG-UHFFFAOYSA-N
- Cc1cccc(NC=C2C(=O)CC(C)(C)CC2=O)n1
MolClass #152287
GQYIMPZQVMJAFB-UHFFFAOYSA-N
- Cc1ccc(NCC(=O)NN=Cc2ccc3ccccc3c2)cc1
MolClass #152288
NYNSLCQDVJAQGF-UHFFFAOYSA-N
- Cc1ccccc1NCC(=O)NN=Cc1cc(Br)c(O)c(Br)c1
MolClass #152289
VMNVJVIEJMGGOV-UHFFFAOYSA-N
- [O-][N+](=O)c1cc(Cc2ccccc2)cc(C=O)c1O
MolClass #152290
RKJXVCLOGNLZOI-UHFFFAOYSA-N
- Cc1ccsc1C=NNC(=O)COc1ccc(Cl)cc1Cl
MolClass #152291
ZQWRACHMYZLJJE-UHFFFAOYSA-N
- Clc1cc(Cl)c(OCC(=O)NN=Cc2ccncc2)cc1Cl
MolClass #152292
AIUDPFJKVFDWNA-UHFFFAOYSA-N
- Cc1ccccc1NCC(=O)NN=Cc1ccc(Cl)cc1
MolClass #152293
OGHIIPXCXDAFRC-UHFFFAOYSA-N
- [O-][N+](=O)c1ccc(C)c(NS(=O)(=O)Cc2ccccc2)c1
MolClass #152294
KODDSCXBIOKAGE-UHFFFAOYSA-N
- COc1cccc(c1)N1C(=O)CC(SC(Nc2ccccc2)=Nc2ccccc2)C1=O
MolClass #152295
AQGDXJABEAJFEN-UHFFFAOYSA-N
- CCCC1CCC(CC1)c1ccc(cc1)C(=O)N1CCOCC1
MolClass #152296
NEUVJTZTUFZAIC-UHFFFAOYSA-N
- C(Cn1cnc2ccccc12)Oc1ccccc1
MolClass #152297
ZXIXGRUPESYHJD-UHFFFAOYSA-N
- [O-][N+](=O)c1cccc(C=CC(=O)C2=C(C)C=C(C)NC2=O)c1
MolClass #152298
FCZGZRIETGFOIR-UHFFFAOYSA-N
- Cc1sccc1C=NNC(=O)c1occc1
MolClass #152299
JVFVFLPSENNMCE-UHFFFAOYSA-N
- CN1C(=O)N(C)C(=O)C(=Cc2c(C)nn(c2O)c2ccc(Br)cc2)C1=O
MolClass #152300
WYTSWEBDKLFQNP-UHFFFAOYSA-N
- NC(=O)NC(c1ccccc1)c1cccc2ccccc21
MolClass #152301
VDZHVNYJRHKGQB-UHFFFAOYSA-N
- C=CCNC(=S)Nc1cccc2ccccc12
MolClass #152302
XKOOYYGMASECMW-UHFFFAOYSA-N
- O=C(CSc1sc2ccccc2n1)NN=Cc1ccccc1
MolClass #152303
SSMRCFLCGZRUDT-UHFFFAOYSA-N
- Fc1ccc(OCC(=O)NN=Cc2ccccc2)cc1
MolClass #152304
QRARIBTUJYRNNY-UHFFFAOYSA-N
- CC(Oc1cccc(Cl)c1)C(=O)NN=Cc1oc(C)cc1
MolClass #152305
IMTCSXKPKAJJPE-UHFFFAOYSA-N
- Cl.CN1C(=Cn2c3ccccc3nc12)c1ccccc1
MolClass #152306
FHPCQYPKLXASOL-UHFFFAOYSA-N
- Cc1nc2C=CC(Br)=Cn2c1C(=O)NN=Cc1cccc(OCC=C)c1
MolClass #152307
QWFVZHJZYQPCGD-UHFFFAOYSA-N
- CC(=NNC(=O)c1ccccn1)c1ccc2CCCCc2c1
MolClass #152308
JAWDDSTXLVJWBF-UHFFFAOYSA-N
- Fc1ccc(cc1)C=NNC(=O)COc1cccc(Cl)c1
MolClass #152309
QSFBMOZIJNWETJ-UHFFFAOYSA-N
- Cc1ccc(O)c(c1)C(=O)C=C(N)C(Cl)(Cl)Cl
MolClass #152310
OALCLGPSDBJKFR-UHFFFAOYSA-N
- Cc1sc(NC(=O)COc2ccc(Cl)cc2Cl)c(C(N)=O)c1C
MolClass #152311
DJBGDBNDJPJRDB-UHFFFAOYSA-N
- COc1ccc(cc1)S(=O)(=O)Nc1ccc(F)c(F)c1
MolClass #152312
KCKQXNZSHMOWHF-UHFFFAOYSA-N
- FC(F)(F)c1cccc(NC(=O)C2CN(C(=O)C2)c2ccc(Cl)cc2)c1
MolClass #152313
APWOMYISANFUOQ-UHFFFAOYSA-N
- O=C(Nc1ccccc1)ON=C1c2ccccc2c2ccccc21
MolClass #152314
RPYXLQIOAWQSIJ-UHFFFAOYSA-N
- Brc1ccccc1C=NNC(=O)COc1ccc2ccccc2c1
MolClass #152315
FIPYHZLHRMRFCN-UHFFFAOYSA-N
- CC(NC(=O)COc1ccc(Cl)cc1)C(O)=O
MolClass #152316
ZESKQMQDEUTJJN-UHFFFAOYSA-N
- Cc1ccc(OCC(=O)NN=Cc2ccccc2Br)cc1C
MolClass #152317
RCVIDNSBYXSKMA-UHFFFAOYSA-N
- Cc1ccc(cc1)N(CC(=O)Nc1cccc(Br)c1)S(=O)(=O)c1ccccc1
MolClass #152318
IHQBUCXCOUIHKS-UHFFFAOYSA-N
- COc1cc(CNCCc2ccccc2OC)cc(OC)c1
MolClass #152319
AEBWOBHPZYGKCU-UHFFFAOYSA-N
- COC(C(=O)NN=Cc1ccc(Cl)cc1)c1ccccc1
MolClass #152320
JMKZRUSTJNLCSU-UHFFFAOYSA-N
- CCOc1ccc(NC(=O)C2C(C=C(Cl)Cl)C2(C)C)cc1
MolClass #152321
PLPAJKCRFHSBJT-UHFFFAOYSA-N
- CC(C)(C)C(=O)Nc1cccc(c1)C(=O)Nc1ccc(Cl)cc1
MolClass #152322
WRQBOOKJXHXDAW-UHFFFAOYSA-N
- [O-][N+](=O)c1cc(Br)c(O)c(C=Nc2sc3cc(Br)ccc3n2)c1
MolClass #152323
SPEVUZVMBRQIQE-UHFFFAOYSA-N
- Cc1ccc2c(Cl)c(sc2c1)C(=O)N1CCCCCC1
MolClass #152324
CGZXSXDQZDQOGZ-UHFFFAOYSA-N
- COc1ccc(cc1)C(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1
MolClass #152325
XDPPXXSXSZECJY-UHFFFAOYSA-N
- COc1ccc(C=CC(=O)Nc2cccc(c2)C(F)(F)F)cc1
MolClass #152326
IONTUKDTVVMKOA-UHFFFAOYSA-N
- [O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1cccc(Br)c1
MolClass #152327
YPDBTGJSVASBPM-UHFFFAOYSA-N
- Clc1ccc(NCN2C(=O)SC(=CC=Cc3ccccc3)C2=O)cc1
MolClass #152328
WGIATYJKJMFNLS-UHFFFAOYSA-N
- COc1ccc(COC(=O)C2C(NC(=O)NC=2C)c2ccccc2)cc1
MolClass #152329
UYAOSISJVXIDNR-UHFFFAOYSA-N
- COc1ccc(cc1OC)S(=O)(=O)Nc1cccc(Cl)c1C
MolClass #152330
JVTHSRFRYONWBC-UHFFFAOYSA-N
- CCCCOC(=O)C1C(NC(=O)NC=1C)c1ccc(OCC)cc1
MolClass #152331
WTMDHZKCNQTVJK-UHFFFAOYSA-N
- N(N=Cc1ccncc1)c1cccc2cccnc12
MolClass #152332
YJHNFNNQFNSWNZ-UHFFFAOYSA-N
- COc1ccc(cc1)C=NNC(=O)C1CN(C(=O)C1)c1ccc(Br)cc1
MolClass #152333
DBERFLSVKCPWMY-UHFFFAOYSA-N
- ON1C(=O)c2cccc3c(Br)ccc(C1=O)c32
MolClass #152334
SMFFDONWMCQXFW-UHFFFAOYSA-N
- Clc1ccc(OCC(=O)Nc2ccc(cc2)S(=O)(=O)Nc2sccn2)c(Cl)c1
MolClass #152335
GKTPWYLARQZDTF-UHFFFAOYSA-N
- Fc1ccc(OCC(=O)NN=Cc2ccc(Cl)cc2)cc1
MolClass #152336
XYGXXWSBPKLOIY-UHFFFAOYSA-N
- Cc1cc(F)ccc1NCc1ccc2OCCOc2c1
MolClass #152337
HWKQYLCDVXOVNY-UHFFFAOYSA-N
- Fc1ccccc1C=C1SC(=O)N(CNc2cccc(Br)c2)C1=O
MolClass #152338
DRTARYRKIYKUKQ-UHFFFAOYSA-N