Molecule directory
Explore structures, source datasets and saved model predictions for molecules registered in MolClass.
Search by molecule name, identifier or structure →- SPB 06981
MolClass #81408
COBKEFOWTCEAKB-UHFFFAOYSA-N
- SPB 07000
MolClass #81409
GQZNMBVMDBCDFU-UHFFFAOYSA-N
- SPB 07023
MolClass #81410
UGZUHDOTBSPJRC-UHFFFAOYSA-N
- SPB 07028
MolClass #81411
FZEWFJUILFVKJK-UHFFFAOYSA-N
- SPB 07110
MolClass #81412
WLFFZYMYONGXKQ-UHFFFAOYSA-N
- SPB 07120
MolClass #81413
PRADLJKTNPNGRW-UHFFFAOYSA-N
- SPB 07212
MolClass #81414
UQYAZFJQDWZFIQ-UHFFFAOYSA-N
- SPB 07218
MolClass #81415
XWMQNMFTPRLCNP-CIAFOILYSA-N
- SPB 07449
MolClass #81416
GRQPGAKZKBKVGZ-UHFFFAOYSA-N
- SPB 07517
MolClass #81417
OJWGQNDRJNIVII-UHFFFAOYSA-N
- SPB 07594
MolClass #81418
LLRAVKWSNREBCK-UHFFFAOYSA-N
- SPB 07780
MolClass #81419
RMWQZKYRWRMVPM-UHFFFAOYSA-N
- SPB 07789
MolClass #81420
CJTQJWOEURMNNX-UHFFFAOYSA-N
- SPB 07894
MolClass #81421
OWFFATZZLMFXGR-UHFFFAOYSA-N
- SPB 07915
MolClass #81422
FBFIOAUPPGYZJE-UHFFFAOYSA-N
- SPB 07935
MolClass #81423
STJUKLCGPTUUSK-UHFFFAOYSA-N
- SPB 07951
MolClass #81424
VCRUSJZSLNZBGD-UHFFFAOYSA-N
- SPB 08252
MolClass #81425
YPFACJFVYXDVFY-UHFFFAOYSA-N
- SPB 08303
MolClass #81426
- SPB 08304
MolClass #81427
- XBX 00124
MolClass #81428
BWCAVNWKMVHLFW-UHFFFAOYSA-N
- Lorazepam
MolClass #81461
DIWRORZWFLOCLC-UHFFFAOYSA-N
- Darifenacin
MolClass #81563
HXGBXQDTNZMWGS-RUZDIDTESA-N
- Tolmetin
MolClass #81564
UPSPUYADGBWSHF-UHFFFAOYSA-N
- Erlotinib
MolClass #81577
AAKJLRGGTJKAMG-UHFFFAOYSA-N
- Carbenicillin
MolClass #81592
FPPNZSSZRUTDAP-UWFZAAFLSA-N
- Lapatinib
MolClass #81827
BCFGMOOMADDAQU-UHFFFAOYSA-N
- Arformoterol
MolClass #81835
BPZSYCZIITTYBL-YJYMSZOUSA-N
- 28883
MolClass #82744
MVCOAUNKQVWQHZ-UHFFFAOYSA-N
- 28576
MolClass #82869
BQSJTQLCZDPROO-UHFFFAOYSA-N
- 28672
MolClass #83320
PQHLRGARXNPFCF-UHFFFAOYSA-N
- 27294
MolClass #84049
UACOXBQBNWQWOK-UHFFFAOYSA-N
- AZM8
MolClass #92089
JWYUFVNJZUSCSM-UHFFFAOYSA-N
- AZM9
MolClass #92090
MWDVCRZYDCOMAK-UHFFFAOYSA-N
- AZM13
MolClass #92091
WHWDLTBBQLJYCJ-UHFFFAOYSA-N
- AZM18
MolClass #92092
NPKHWEBWIFDKHH-LLVKDONJSA-N
- AZM19
MolClass #92093
RWUQUOUNNCHFDU-SECBINFHSA-N
- AZM21
MolClass #92094
XWLXKKNPFMNSFA-HGQWONQESA-N
- AZM27
MolClass #92095
NDHNEUUBLJKLCP-UHFFFAOYSA-N
- AZM30
MolClass #92096
IGADPVQMANOWFP-UHFFFAOYSA-N
- AZM31
MolClass #92097
BGFUKOBHJOFLNH-GQCTYLIASA-N
- AZM33
MolClass #92098
OKOUVXZHGBZILV-UHFFFAOYSA-N
- AZM34
MolClass #92099
SVRHUWKSZKNYFQ-UHFFFAOYSA-N
- AZM35
MolClass #92100
JBPMUXHYANUBMJ-UHFFFAOYSA-N
- AZM37
MolClass #92101
MQYJPACEBWKWEH-UHFFFAOYSA-N
- AZM39
MolClass #92102
ACLZPKMBZBHXJZ-UHFFFAOYSA-N
- AZM40
MolClass #92103
ZSHRAUSJZQDIJR-UHFFFAOYSA-N
- AZM51
MolClass #92104
ARCOMIDVSXCMLF-UHFFFAOYSA-N
- AZM55
MolClass #92105
HTQMVQVXFRQIKW-UHFFFAOYSA-N
- AZM61
MolClass #92106
AYOQBSVJMUNSBV-UHFFFAOYSA-N
- AZM63
MolClass #92107
LYLQJTSHZYGWBO-UHFFFAOYSA-N
- AZM65
MolClass #92108
GPMHHSJZGVOEFS-UHFFFAOYSA-N
- AZM68
MolClass #92109
QNZSVEIPQWPBJO-UHFFFAOYSA-N
- AZM71
MolClass #92110
FIVCRRVYLAXYFC-UHFFFAOYSA-N
- AZM73
MolClass #92111
CYWIRZGTWFPTMH-UHFFFAOYSA-N
- AZM74
MolClass #92112
GHSMJZASRNAUBJ-UHFFFAOYSA-N
- AZM76
MolClass #92113
ZFXYFBGIUFBOJW-UHFFFAOYSA-N
- AZM78
MolClass #92114
GJXWDTUCERCKIX-UHFFFAOYSA-N
- AZM79
MolClass #92115
UEAUYQCUAUXUNU-UHFFFAOYSA-N
- AZM80
MolClass #92116
VEPKQEUBKLEPRA-UHFFFAOYSA-N
- AZM81
MolClass #92117
AIFRHYZBTHREPW-UHFFFAOYSA-N
- AZM82
MolClass #92118
WWZPQCDNQYPEIV-UHFFFAOYSA-N
- AZM83
MolClass #92119
TZMIRXLCTZAZRD-UHFFFAOYSA-N
- AZM84
MolClass #92120
ULIOFFVUEAORCD-UHFFFAOYSA-N
- AZM85
MolClass #92121
MXBKCOLSUUYOHT-UHFFFAOYSA-N
- AZM88
MolClass #92122
HXHWSAZORRCQMX-UHFFFAOYSA-N
- AZM89
MolClass #92123
LZURCICLQQQODJ-UHFFFAOYSA-N
- AZM90
MolClass #92124
MMYXLHQQIXXGRR-UHFFFAOYSA-N
- AZM93
MolClass #92125
LUGXKWLXOYRDIS-UHFFFAOYSA-N
- AZM95
MolClass #92126
GYXWUBHCYWWAOK-UHFFFAOYSA-N
- AZM97
MolClass #92127
FVSFZNKZAWLBHE-UHFFFAOYSA-N
- AZM98
MolClass #92128
UQIDNSKBUXCODH-UHFFFAOYSA-N
- AZM99
MolClass #92129
AZFVZMKCOBJRAW-UHFFFAOYSA-N
- AZM100
MolClass #92130
HKWYRLYHYBFHLL-UHFFFAOYSA-N
- AZM101
MolClass #92131
IQZIRNIZQHVBMB-UHFFFAOYSA-N
- AZM102
MolClass #92132
HETSSARHFAGODR-UHFFFAOYSA-N
- AZM104
MolClass #92133
FZVLVMRGZRRBFD-UHFFFAOYSA-N
- AZM106
MolClass #92134
SWLAKVCPDFLJCT-UHFFFAOYSA-N
- AZM108
MolClass #92135
PDSXUXCWTDUVSZ-UHFFFAOYSA-N
- AZM112
MolClass #92136
SIVKXCGNYRNTBX-UHFFFAOYSA-N
- AZM113
MolClass #92137
WUZQKQAXXKMHJZ-UHFFFAOYSA-N
- AZM114
MolClass #92138
FPOGXYDWGZGUBR-UHFFFAOYSA-N
- AZM115
MolClass #92139
APQCIRNWAACMSD-UHFFFAOYSA-N
- AZM116
MolClass #92140
VDULOAUXSMYUMG-UHFFFAOYSA-N
- AZM117
MolClass #92141
XAWOJZLTWLRVIH-UHFFFAOYSA-N
- AZM119
MolClass #92142
GVXLYANMNMFHLJ-UHFFFAOYSA-N
- AZM120
MolClass #92143
SIIRMPMJLBEIDY-UHFFFAOYSA-N
- AZM123
MolClass #92144
BBOLHCAQUHPGPL-UHFFFAOYSA-N
- AZM124
MolClass #92145
VFSAEAGKVBCUNE-UHFFFAOYSA-N
- AZM125
MolClass #92146
WVTQEDQHWYJROA-UHFFFAOYSA-N
- AZM126
MolClass #92147
FLLGZHLDRRHIKJ-UHFFFAOYSA-N
- AZM127
MolClass #92148
ODNICNWASXKNNQ-UHFFFAOYSA-N
- AZM128
MolClass #92149
FBCOMGDKGBJAAS-UHFFFAOYSA-N
- AZM129
MolClass #92150
PAVCWKDOSVFPAN-UHFFFAOYSA-N
- AZM130
MolClass #92151
RDGUKBGMEDUEDL-UHFFFAOYSA-N
- AZM131
MolClass #92152
DYZBVHSZWXIDDQ-UHFFFAOYSA-N
- AZM132
MolClass #92153
UHYGCMNTYAEAHI-VOTSOKGWSA-N
- AZM133
MolClass #92154
BMYUTWKKELIBCE-UHFFFAOYSA-N
- AZM134
MolClass #92155
BDOCKYQXIODYML-UHFFFAOYSA-N
- AZM135
MolClass #92156
RFSVVCBVIFWEMZ-UHFFFAOYSA-N