Molecule directory
Explore structures, source datasets and saved model predictions for molecules registered in MolClass.
Search by molecule name, identifier or structure →- GR94839_I
MolClass #9301
ARTQJVJUAAGJGI-PCXSUYPWSA-N
- GR94839_L
MolClass #9302
QSANFOKTOUEHDW-ROUUACIJSA-N
- ICI197067
MolClass #9303
IQEQNVRDAVMDJB-KRWDZBQOSA-N
- ICI199441
MolClass #9304
AEJOEPSMZCEYJN-FQEVSTJZSA-N
- Thiopental
MolClass #9305
IUJDSEJGGMCXSG-SSDOTTSWSA-N
- lomefloxacin
MolClass #9306
ZEKZLJVOYLTDKK-SECBINFHSA-N
- doxylamine
MolClass #9307
HCFDWZZGGLSKEP-KRWDZBQOSA-N
- naltrexone
MolClass #9308
DQCKKXVULJGBQN-OBZTUIKSSA-N
- roxindole
MolClass #9309
- RP60180
MolClass #9310
KXMAIWXPZGQNCR-KRWDZBQOSA-N
- rufloxacin
MolClass #9311
NJCJBUHJQLFDSW-UHFFFAOYSA-N
- salbutamol
MolClass #9312
NDAUXUAQIAJITI-GFCCVEGCSA-N
- Sankyo
MolClass #9313
YKLOEMVVJJXXQV-OAHLLOKOSA-N
- SB201708
MolClass #9314
KVJYPMVFNCXSTH-QGZVFWFLSA-N
- SB204454
MolClass #9315
GNJLINZLUYVCPA-VLIAUNLRSA-N
- SB204457
MolClass #9316
GNJLINZLUYVCPA-JLTOFOAXSA-N
- SB204459
MolClass #9317
MWBCFEIPAGCOES-RHSMWYFYSA-N
- SB204484
MolClass #9318
GEMQOTQZNVHANG-MRXNPFEDSA-N
- SB205563
MolClass #9319
SPNVIEKNVFWGMT-HZPDHXFCSA-N
- SB205605
MolClass #9320
- skb_a
MolClass #9321
BIAVGWDGIJKWRM-FQEVSTJZSA-N
- skb_c
MolClass #9322
UXIFNZZGVLDBLW-VWLOTQADSA-N
- skb-d
MolClass #9323
RJIWGNBRTQFKBW-NRFANRHFSA-N
- skb-e
MolClass #9324
FOOHZRDIAOMVJZ-QHCPKHFHSA-N
- skb-f
MolClass #9325
XLLBHYOQOOFVLH-LJAQVGFWSA-N
- skb-g
MolClass #9326
BJRXFVVSVWUGSV-NDEPHWFRSA-N
- skb-h
MolClass #9327
ORPZVEATXOARKK-BDYUSTAISA-N
- skb-i
MolClass #9328
KJZOIEGZNOPHDK-VWLOTQADSA-N
- sparfloxacin
MolClass #9329
DZZWHBIBMUVIIW-DTORHVGOSA-N
- tamitinol
MolClass #9330
VGWRNXUFWFDSCH-UHFFFAOYSA-N
- terfenadine
MolClass #9331
GUGOEEXESWIERI-SSEXGKCCSA-N
- testosterone
MolClass #9332
MUMGGOZAMZWBJJ-DYKIIFRCSA-N
- U50488
MolClass #9333
VQLPLYSROCPWFF-ZWKOTPCHSA-N
- Nalorphine
MolClass #9334
UIQMVEYFGZJHCZ-JNGUWMMZSA-N
- Methohexital
MolClass #9335
JNMPFRPJTATCNA-YGRLFVJLSA-N
- Levallorphan
MolClass #9336
OZYUPQUCAUTOBP-BHIYHBOVSA-N
- Midazolam
MolClass #9337
DDLIGBOFAVUZHB-UHFFFAOYSA-N
- Flunitrazepam
MolClass #9338
PPTYJKAXVCCBDU-UHFFFAOYSA-O
- 15
MolClass #9339
- 1-48
MolClass #9340
TVSOQPJYVFOMJD-UHFFFAOYSA-N
- Desmethylclobazam
MolClass #9341
RRTVVRIFVKKTJK-UHFFFAOYSA-N
- Alprazolam
MolClass #9342
VREFGVBLTWBCJP-UHFFFAOYSA-N
- Codeine
MolClass #9343
OROGSEYTTFOCAN-DNJOTXNNSA-N
- Nor-1-chlorpromazine
MolClass #9344
YHFXGBOUSIKGMZ-UHFFFAOYSA-N
- Promethazine
MolClass #9345
PWWVAXIEGOYWEE-ZDUSSCGKSA-N
- Mianserin
MolClass #9346
UEQUQVLFIPOEMF-SFHVURJKSA-N
- Pentazocine
MolClass #9347
VOKSWYLNZZRQPF-GDIGMMSISA-N
- 7-K08
MolClass #9348
XSQCKDORBNQRDB-UHFFFAOYSA-N
- Mirtazapine
MolClass #9349
RONZAEMNMFQXRA-INIZCTEOSA-N
- 23
MolClass #9350
QADMIGZGYXBVBI-UHFFFAOYSA-M
- 24867518
MolClass #9351
ACFIXJIJDZMPPO-WIAQJBKFSA-J
- 24867536
MolClass #9352
OJNFDOAQUXJWED-GBHHGZGESA-M
- 24867495
MolClass #9353
YOAHKNVSNCMZGQ-NJNOBOSFSA-K
- 24867509
MolClass #9354
CAWZRIXWFRFUQB-GZCUOZMLSA-L
- 24867514
MolClass #9355
WLMZTKAZJUWXCB-GAWUUDPSSA-K
- 24867516
MolClass #9356
DYCJFJRCWPVDHY-ABYLEIOUSA-N
- 24867489
MolClass #9357
RNGCVFCOKZEZFL-FTWQFJAYSA-J
- 24867541
MolClass #9358
MYPYJXKWCTUITO-HZQYRUTGSA-N
- 24867524
MolClass #9359
RIRGCFBBHQEQQH-LNEKFLOWSA-N
- 24867484
MolClass #9360
AAZMHPMNAVEBRE-FQMFCJFBSA-M
- 24867483
MolClass #9361
MYNRELUCFAQMFC-RVBSWOSCSA-N
- 24867503
MolClass #9362
JADDQZYHOWSFJD-HZLHGAJGSA-N
- 24867507
MolClass #9363
HUJXGQILHAUCCV-ZUMXRPEOSA-N
- 24867487
MolClass #9364
PAOANWZGLPPROA-QSNWEANLSA-N
- 24867477
MolClass #9365
DVKQVRZMKBDMDH-LLMKBAGISA-M
- 24867525
MolClass #9366
UOZODPSAJZTQNH-LQBTZRNKSA-N
- 24867493
MolClass #9367
CZWCKYRVOZZJNM-SNHNPKPASA-M
- 24867473
MolClass #9368
XNOBOKJVOTYSJV-GAWUUDPSSA-J
- 24867472
MolClass #9369
LDYMCRRFCMRFKB-ZUMXRPEOSA-N
- 24867504
MolClass #9370
VWQWXZAWFPZJDA-ZVEHJCAYSA-M
- 24867470
MolClass #9371
BBDAGFIXKZCXAH-YDKYIBAVSA-N
- 24867471
MolClass #9372
QGXBDMJGAMFCBF-NMDQMMBJSA-N
- 24867467
MolClass #9373
YUFCOOWNNHGGOD-PMCKMBLUSA-M
- 24867466
MolClass #9374
PLYRYAHDNXANEG-FHZUQPTBSA-N
- 24867492
MolClass #9375
YRASDMUWFUDPGT-ABFRNEGJSA-N
- 24867464
MolClass #9376
BRSNNJIJEZWSBU-QZDOHJIMSA-N
- 24867535
MolClass #9377
FNKQXYHWGSIFBK-WVOWXROLSA-N
- 24867530
MolClass #9378
QIWKCQDJZPRXNS-VIFPVBQESA-K
- 24867469
MolClass #9379
CBMYJHIOYJEBSB-KHGRTXTCSA-N
- 24867475
MolClass #9380
NBMKJKDGKREAPL-PLZGPXMBSA-N
- 24867520
MolClass #9381
GVEAYVLWDAFXET-IOWPLAIJSA-N
- 24867532
MolClass #9382
LXMSZDCAJNLERA-CGTCBZCHSA-N
- 24867506
MolClass #9383
HKQZUYOVMYOFIT-VYJGXRCLSA-N
- 24867456
MolClass #9384
AJLFOPYRIVGYMJ-KLCVLALFSA-N
- 23695850
MolClass #9385
IECPWNUMDGFDKC-JHTSFYPJSA-M
- 23682212
MolClass #9386
DIJBBUIOWGGQOP-WPVPORHCSA-M
- 25076018
MolClass #9387
- 24867508
MolClass #9388
CQOQDQWUFQDJMK-UTMVYBGDSA-N
- 24867527
MolClass #9389
- 23704140
MolClass #9390
MFOOVZCXWVAWOV-RUZDIDTESA-M
- 23681059
MolClass #9391
CMWTZPSULFXXJA-VIFPVBQESA-M
- 23675312
MolClass #9392
UQLLWWBDSUHNEB-CZUORRHYSA-M
- 16759253
MolClass #9393
LGZYEDZSPHLISU-MJXUCMMTSA-N
- 24867465
MolClass #9394
YXBQLONCIPUQKO-GHVXPYCRSA-N
- 16759251
MolClass #9395
WLVZUUWIKSBNKY-UHFFFAOYSA-N
- 16759250
MolClass #9396
DBPWSSGDRRHUNT-NWQZBTRTSA-N
- 24867522
MolClass #9397
RYEFFICCPKWYML-ABXZHQTISA-N
- 16759247
MolClass #9398
FMGSKLZLMKYGDP-SNHNPKPASA-N
- 16759246
MolClass #9399
DBEPLOCGEIEOCV-DNQDXXPPSA-N
- 16758819
MolClass #9400
OMFXVFTZEKFJBZ-WKSHXYJLSA-N