Molecule directory
Explore structures, source datasets and saved model predictions for molecules registered in MolClass.
Search by molecule name, identifier or structure →- 1252291
MolClass #13201
KBCAEIWOKJXGJP-UHFFFAOYSA-N
- 1918591
MolClass #13202
SXAQGOKZXZMPPJ-UHFFFAOYSA-N
- 1328491
MolClass #13203
SZXBXNVDYMXTKW-UHFFFAOYSA-N
- 1918593
MolClass #13204
WVNFLKSULHJUSV-UHFFFAOYSA-N
- 1918594
MolClass #13205
NUUYLSYEZFKFHN-UHFFFAOYSA-N
- 1918595
MolClass #13206
UCRJMBGBBNRCKY-UHFFFAOYSA-N
- 1632793
MolClass #13207
HHTWYVDUCLRROQ-UHFFFAOYSA-N
- 1552012
MolClass #13208
ZYDRSSLYIKMBKE-UHFFFAOYSA-N
- 1918599
MolClass #13209
CXJPZQPJCSHRAD-NTUHNPAUSA-N
- 1918609
MolClass #13210
DRDQAVPREDVABO-UHFFFAOYSA-N
- 1918612
MolClass #13211
ANSAZGYJIXOAPQ-UHFFFAOYSA-N
- 1918614
MolClass #13212
APJZDJWOACOAQD-UHFFFAOYSA-N
- 1152191
MolClass #13213
BFMMLRRYPWMKCR-UHFFFAOYSA-N
- 1918620
MolClass #13214
GHRZBTBCFAFYFZ-UHFFFAOYSA-N
- 1386759
MolClass #13215
DFJZIWBALYOZPI-UHFFFAOYSA-N
- 1918624
MolClass #13216
PZWRJRCMVZQVJZ-UHFFFAOYSA-N
- 1918628
MolClass #13217
PDWYGSIQQXWDBM-UHFFFAOYSA-N
- 1280846
MolClass #13218
CHTGJTJXFKZQPF-UHFFFAOYSA-N
- 1918639
MolClass #13219
OCUTXXVGUXRQKL-DARPEHSRSA-N
- 1918640
MolClass #13220
YLPLYUPTDCGDEU-UHFFFAOYSA-N
- 1303935
MolClass #13221
ZWMRKXLMCASUQH-UHFFFAOYSA-N
- 1020752
MolClass #13222
- 1300936
MolClass #13223
WEHILCIOIIDQMB-UHFFFAOYSA-N
- 1918649
MolClass #13224
PBDBPFNBXZZXRZ-UHFFFAOYSA-N
- 1918653
MolClass #13225
WLKOCYWYAWBGKY-UYRXBGFRSA-N
- 1348944
MolClass #13226
LXEOASMACBAUBO-UHFFFAOYSA-N
- 1554243
MolClass #13227
IVZOSCLDRXLTLK-UHFFFAOYSA-N
- 1258069
MolClass #13228
WVCQGIWNSKOMTR-UHFFFAOYSA-N
- 1303688
MolClass #13229
SJICCMSSBADYFL-UHFFFAOYSA-N
- 1918668
MolClass #13230
GCZPYEWNPYTMFJ-UHFFFAOYSA-N
- 1386116
MolClass #13231
QVNRITZHEBJTBS-UHFFFAOYSA-N
- 1918674
MolClass #13232
VAIOARLOBOUMHD-UHFFFAOYSA-N
- 1918675
MolClass #13233
OAZNGXKBKDXAIZ-UHFFFAOYSA-N
- 1437437
MolClass #13234
CQZZSFNTQLCLJF-UHFFFAOYSA-N
- 1918676
MolClass #13235
XKXPVQQPDNKHHR-UHFFFAOYSA-N
- 1049760
MolClass #13236
- 1283463
MolClass #13237
PTCXQBGYHBYHGF-UHFFFAOYSA-N
- 1510122
MolClass #13238
LUQCNCGGPKPYSY-UHFFFAOYSA-N
- 1918716
MolClass #13239
XONXNDGKBLFFPC-UHFFFAOYSA-N
- 1918745
MolClass #13240
DJYFJNYSECJBGK-UHFFFAOYSA-N
- 1918757
MolClass #13241
CQKNETBHOCHQQK-UHFFFAOYSA-N
- 1912669
MolClass #13242
PNPBEISDYXVPEH-YBFXNURJSA-N
- 1639363
MolClass #13243
HWXAITQKFHOMLE-UHFFFAOYSA-N
- 1918765
MolClass #13244
MORPXEJCAQCOOK-AUWJEWJLSA-N
- 1657423
MolClass #13245
NQLQTWGITUWPBT-UHFFFAOYSA-N
- 1575494
MolClass #13246
NGUSIXXSBWXPQF-UHFFFAOYSA-N
- 1918780
MolClass #13247
HGIBMAAESHPIRL-UHFFFAOYSA-N
- 1122733
MolClass #13248
ODAMADWMTXPCMS-UHFFFAOYSA-N
- 1918783
MolClass #13249
PGYUCISHJLHTJZ-UHFFFAOYSA-N
- 1731684
MolClass #13250
BSUQZMYKFFOPID-UHFFFAOYSA-N
- 1918793
MolClass #13251
TTXGPSPBMYFCLP-UHFFFAOYSA-N
- 1918797
MolClass #13252
XPBCAPUPOVQBTA-KNTRCKAVSA-N
- 1918808
MolClass #13253
UYFPBMFDGJGYIQ-QVIHXGFCSA-N
- 1918812
MolClass #13254
FSINITVGBUFTCH-XNTDXEJSSA-N
- 1918814
MolClass #13255
CMKMJDUZLALJHH-LFIBNONCSA-N
- 1914769
MolClass #13256
YDXOIIKHCHXREZ-YXHOTNNGSA-N
- 1670790
MolClass #13257
OUHPUHINZBJUBX-UHFFFAOYSA-N
- 1530676
MolClass #13258
KEUFFISILHOPIT-UHFFFAOYSA-N
- 1918843
MolClass #13259
ZRMLCGCDKFANHH-UBKPWBPPSA-N
- 1918847
MolClass #13260
UHZKYCUGAAGKSQ-UHFFFAOYSA-N
- 1918883
MolClass #13261
IKUOVUVJCTWMGA-WPWMEQJKSA-N
- 1918894
MolClass #13262
CLZYRVYIOPKPGV-UHFFFAOYSA-N
- 1918901
MolClass #13263
KTTJAJNEFINGTD-UHFFFAOYSA-N
- 1615058
MolClass #13264
CPUDBCXBEMUHQO-UHFFFAOYSA-N
- 1918909
MolClass #13265
WWKPORXDPLTXRF-UHFFFAOYSA-N
- 1445086
MolClass #13266
MFEBSARJJSHFJX-UHFFFAOYSA-N
- 1918914
MolClass #13267
KYPPPNJVSYMDJB-GXDHUFHOSA-N
- 1918825
MolClass #13268
REIAGQPEVPXOFV-UHFFFAOYSA-N
- 1918917
MolClass #13269
HKYKAZUBQBKDEX-LBPRGKRZSA-N
- 1185438
MolClass #13270
WSLSHSXFPNQGRU-UHFFFAOYSA-N
- 1918921
MolClass #13271
JCCWWBMQBZCBPV-SQFISAMPSA-N
- 1422759
MolClass #13272
ULFKRZNYZOEEAO-UHFFFAOYSA-N
- 1918924
MolClass #13273
TYFYVTPWPIXEAG-UHFFFAOYSA-N
- 1918929
MolClass #13274
BILIOYSWAURUQG-UHFFFAOYSA-N
- 1918933
MolClass #13275
SSUBZVOLPSPUEQ-DEDYPNTBSA-N
- 1918939
MolClass #13276
DBDYZOLYNLUOAR-UHFFFAOYSA-N
- 1256595
MolClass #13277
HHNYNRHMLCZPJW-UHFFFAOYSA-N
- 1139961
MolClass #13278
FAOQDLXQZHETQS-UHFFFAOYSA-N
- 1918954
MolClass #13279
YKBFDZKCVIXREA-UHFFFAOYSA-N
- 1287387
MolClass #13280
RSYGUDMWFAJTRJ-UHFFFAOYSA-N
- 1918961
MolClass #13281
RWFQUDMRZKVAPF-UHFFFAOYSA-N
- 1913137
MolClass #13282
QYYBACCETRXSEX-HWKANZROSA-N
- 1918971
MolClass #13283
JKZTUTZJHSYMNO-UHFFFAOYSA-N
- 1918990
MolClass #13284
ADGDUIDDAMQKAG-UHFFFAOYSA-N
- 1918991
MolClass #13285
VAFFZMJSLBXIPT-UHFFFAOYSA-N
- 1310853
MolClass #13286
JUFHZEGXPGIZDC-UHFFFAOYSA-N
- 1919043
MolClass #13287
MMPGRBFWTQALIM-UHFFFAOYSA-N
- 1919074
MolClass #13288
RDNSAQMYBXUHGD-UDWIEESQSA-N
- 1062288
MolClass #13289
MMMWXCLCXPKPSW-UHFFFAOYSA-N
- 1919082
MolClass #13290
BIGWHEBJLPCCRA-UHFFFAOYSA-N
- 1919084
MolClass #13291
GIOMEMICSQPWSS-UHFFFAOYSA-N
- 1919098
MolClass #13292
MIVNWRADYAJNCE-DEDYPNTBSA-N
- 1919099
MolClass #13293
QXGFWXTXJVMYCN-UHFFFAOYSA-N
- 1919102
MolClass #13294
ARBSVGCLCXSAOB-UHFFFAOYSA-N
- 1919104
MolClass #13295
TZFCVBGVAMRQAM-UHFFFAOYSA-N
- 1919106
MolClass #13296
BYIUAKQEWUPRQD-UHFFFAOYSA-N
- 1919111
MolClass #13297
SFYZTDJSEWMITC-REZTVBANSA-N
- 1919112
MolClass #13298
XFZZZWVPJYLRSW-UHFFFAOYSA-N
- 1919116
MolClass #13299
YBWDUITZTBDOIB-ZRDIBKRKSA-N
- 1703094
MolClass #13300
RPWLKLZKOBXITE-UHFFFAOYSA-N