Molecule directory
Explore structures, source datasets and saved model predictions for molecules registered in MolClass.
Search by molecule name, identifier or structure →- 3-methylpentane
MolClass #9101
PFEOZHBOMNWTJB-UHFFFAOYSA-N
- Oxazepam
MolClass #9102
ADIMAYPTOBDMTL-OAHLLOKOSA-N
- 111-trichloroethane
MolClass #9103
UOCLXMDMGBRAIB-UHFFFAOYSA-N
- Amobarbital
MolClass #9104
VIROVYVQCGLCII-UHFFFAOYSA-N
- Bretazenil
MolClass #9105
LWUDDYHYYNNIQI-ZDUSSCGKSA-N
- Cyclopropane
MolClass #9106
LVZWSLJZHVFIQJ-UHFFFAOYSA-N
- Thioridazine
MolClass #9107
KLBQZWRITKRQQV-INIZCTEOSA-N
- Phenserine
MolClass #9108
PBHFNBQPZCRWQP-QUCCMNQESA-N
- Divinylether
MolClass #9109
QYKIQEUNHZKYBP-UHFFFAOYSA-N
- Desmethyldesipramine
MolClass #9110
XJWJQDZWUYUIEM-UHFFFAOYSA-N
- Org12962
MolClass #9111
QZYYPQAYSFBKPW-UHFFFAOYSA-N
- Heptane
MolClass #9112
IMNFDUFMRHMDMM-UHFFFAOYSA-N
- Hexobarbital
MolClass #9113
UYXAWHWODHRRMR-GFCCVEGCSA-N
- Indinavir
MolClass #9114
CBVCZFGXHXORBI-PXQQMZJSSA-N
- Mesoridazine
MolClass #9115
SLVMESMUVMCQIY-YHAMSUFESA-N
- 4-hydroxymidazolam
MolClass #9116
ZYISITHKPKHPKG-GOSISDBHSA-N
- Halothane
MolClass #9117
BCQZXOMGPXTTIC-PVQJCKRUSA-N
- Org34167
MolClass #9118
AYDSLXXUAYWCBG-HNNXBMFYSA-N
- Northioridazine
MolClass #9119
UFDCSHQNNVQXAS-HNNXBMFYSA-N
- Org30526
MolClass #9120
DQUCRGAOGUQHJQ-UONOGXRCSA-N
- Paraxanthine
MolClass #9121
- Org5222
MolClass #9122
VSWBSWWIRNCQIJ-LSDHHAIUSA-N
- Propranolol
MolClass #9123
AQHHHDLHHXJYJD-CQSZACIVSA-N
- RO19-4603
MolClass #9124
ZIGMMUKDYCABPW-UHFFFAOYSA-N
- Phenytoin
MolClass #9125
FTOIWJKBBZAECO-OAHLLOKOSA-N
- 1-hydroxymidazolam
MolClass #9126
QHSMEGADRFZVNE-UHFFFAOYSA-N
- Salicyluricacid
MolClass #9127
ONJSZLXSECQROL-UHFFFAOYSA-N
- Sulforidazine
MolClass #9128
FLGCRGJDQJIJAW-INIZCTEOSA-N
- Teflurane
MolClass #9129
BVMTUIGOAGPZCK-UWTATZPHSA-N
- Theobromine
MolClass #9130
- Isoflurane
MolClass #9131
PIWKPBJCKXDKJR-SFOWXEAESA-N
- Enflurane
MolClass #9132
JPGQOUSTVILISH-PVQJCKRUSA-N
- Y-G15
MolClass #9133
FXHJGPDCPMCUKW-UHFFFAOYSA-N
- Y-G16
MolClass #9134
TWZOYAWHWDRMEZ-UHFFFAOYSA-N
- Y-G19
MolClass #9135
PBZAFLUKYPTHFG-UHFFFAOYSA-N
- Zidovudine
MolClass #9136
- Carbamazepineepoxide
MolClass #9137
ZRWWEEVEIOGMMT-ZIAGYGMSSA-N
- SB-222200
MolClass #9138
MQNYRKWJSMQECI-QFIPXVFZSA-N
- Tertbutylchlorambucil
MolClass #9139
SZXDOYFHSIIZCF-UHFFFAOYSA-N
- Delavirdine
MolClass #9140
- Ebastine
MolClass #9141
MJJALKDDGIKVBE-UHFFFAOYSA-N
- 9-OH-risperidone
MolClass #9142
PMXMIIMHBWHSKN-LJQANCHMSA-N
- 25324
MolClass #9143
- 7-K06
MolClass #9144
SYLUBQOFGXPQIZ-CJNGLKHVSA-N
- 7-K10
MolClass #9145
HAVFQXBFPOZUBU-DOMZBBRYSA-N
- 12
MolClass #9146
QSVQYESUCVTVDQ-UHFFFAOYSA-N
- 14
MolClass #9147
- 16
MolClass #9148
GENKQMMVXFFZPC-UHFFFAOYSA-N
- 17
MolClass #9149
QDNHJPYZKZDMNJ-UHFFFAOYSA-N
- 18
MolClass #9150
BVPYPYSWYGKYAG-UHFFFAOYSA-N
- 19
MolClass #9151
QAJXFAVPCJPZCT-UHFFFAOYSA-N
- 2
MolClass #9152
KMNUGKCCBPMHJL-UHFFFAOYSA-N
- 22
MolClass #9153
GKZWVGMAKRXYCG-UHFFFAOYSA-N
- Nor-2-chlorpromazine
MolClass #9154
ZTQZBABFEUDZFE-UHFFFAOYSA-N
- 24
MolClass #9155
FAXLXLJWHQJMPK-UHFFFAOYSA-N
- 25
MolClass #9156
IKQPZPCUEJJIRL-UHFFFAOYSA-N
- 26
MolClass #9157
JACPUZOKPSTMTK-UHFFFAOYSA-N
- 27
MolClass #9158
YLLDMFNSWIGNPW-UHFFFAOYSA-N
- 28
MolClass #9159
KHOCPPWRDKJTNB-UHFFFAOYSA-N
- 30
MolClass #9160
VIASCVHAGATDQI-UHFFFAOYSA-N
- 4
MolClass #9161
- 38480
MolClass #9162
RDVNYGJBCMUDNE-UHFFFAOYSA-N
- BBcpd10
MolClass #9163
- 9-C1
MolClass #9164
- 9-C15
MolClass #9165
ZZYXQLUAWYPDEQ-UXHICEINSA-N
- 9-C17
MolClass #9166
KFFBDUUIJZXEMY-UHFFFAOYSA-N
- 9-C7
MolClass #9167
QLRYUDMLENPYFS-UHFFFAOYSA-N
- Abacavir
MolClass #9168
MCGSCOLBFJQGHM-SCZZXKLOSA-N
- Acebutolol
MolClass #9169
GOEMGAFJFRBGGG-OAHLLOKOSA-N
- Aciclovir
MolClass #9170
- Albendazole
MolClass #9171
- Amfetamine
MolClass #9172
KWTSXDURSIMDCE-QMMMGPOBSA-N
- Amikacin
MolClass #9173
LKCWBDHBTVXHDL-RMDFUYIESA-N
- Aminosalicylicacid
MolClass #9174
WUBBRNOQWQTFEX-UHFFFAOYSA-N
- Cytarabine
MolClass #9175
UHDGCWIWMRVCDJ-XVFCMESISA-N
- Dacarbazine
MolClass #9176
- Demeclocycline
MolClass #9177
FMTDIUIBLCQGJB-SEYHBJAFSA-N
- Pentobarbital
MolClass #9178
BGDVGPNEUSXWET-ZETCQYMHSA-N
- Org32104
MolClass #9179
BKXBVNZUQILPOP-QAPCUYQASA-N
- Dexrazoxane
MolClass #9180
BMKDZUISNHGIBY-ZETCQYMHSA-N
- SKF89124
MolClass #9181
PVIICBUWKXYFAA-UHFFFAOYSA-N
- Dihydroergotamine
MolClass #9182
- Doxorubicin
MolClass #9183
AOJJSUZBOXZQNB-TZSSRYMLSA-N
- Doxycycline
MolClass #9184
JBIWCJUYHHGXTC-AKNGSSGZSA-N
- Efavirenz
MolClass #9185
XPOQHMRABVBWPR-ZDUSSCGKSA-N
- Ethosuximide
MolClass #9186
HAPOVYFOVVWLRS-SSDOTTSWSA-N
- Fluconazole
MolClass #9187
RFHAOTPXVQNOHP-UHFFFAOYSA-N
- Foscarnetsodium
MolClass #9188
ZJAOAACCNHFJAH-UHFFFAOYSA-N
- Nafcillin
MolClass #9189
HAEWKIPTUWNAGU-TXPKVOOTSA-N
- Nelfinavir
MolClass #9190
QAGYKUNXZHXKMR-HKWSIXNMSA-N
- Omeprazole
MolClass #9191
- Oxacillin
MolClass #9192
IAZYTLPOECRMKQ-GRDNDAEWSA-N
- Org4428
MolClass #9193
RPMDQAYGQBREBS-APWZRJJASA-N
- Pentostatin
MolClass #9194
FPVKHBSQESCIEP-FUZJYRNYSA-N
- Pethidine
MolClass #9195
XADCESSVHJOZHK-UHFFFAOYSA-N
- Phenazopyridine
MolClass #9196
QPFYXYFORQJZEC-FOCLMDBBSA-N
- Phenoxymethylpenicillin
MolClass #9197
NPTBFNQJYXYCLJ-SGMGOOAPSA-N
- Pindolol
MolClass #9198
- Plicamycin
MolClass #9199
CFCUWKMKBJTWLW-UYYYAUMZSA-N
- Pravastatin
MolClass #9200
TUZYXOIXSAXUGO-PZSHMICQSA-N