Molecule directory
Explore structures, source datasets and saved model predictions for molecules registered in MolClass.
Search by molecule name, identifier or structure →- NOCAS_M561
MolClass #6201
SAIKULLUBZKPDA-UHFFFAOYSA-N
- NOCAS_M403
MolClass #6202
LQKRYVGRPXFFAV-UHFFFAOYSA-N
- 61756-39-6
MolClass #6203
GZROQMGKRKUIBV-UHFFFAOYSA-N
- 9002-92-0
MolClass #6204
DWHIUNMOTRUVPG-UHFFFAOYSA-N
- 18640-74-9
MolClass #6205
CMPVUVUNJQERIT-UHFFFAOYSA-N
- 5326-87-4
MolClass #6206
DCPLOIFDMMEBQZ-UHFFFAOYSA-N
- 452-06-2
MolClass #6207
- 1565-94-2
MolClass #6208
AMFGWXWBFGVCKG-UHFFFAOYSA-N
- 61421-82-7
MolClass #6209
QQQZGKVRDOCMAW-UHFFFAOYSA-N
- 68299-98-9
MolClass #6210
TUMDEZCDLZJWKZ-UHFFFAOYSA-N
- 28361-96-8
MolClass #6211
STIGFNKEUDOLLO-UHFFFAOYSA-N
- 98151-92-9
MolClass #6212
QBWLAIGPKULPQC-UHFFFAOYSA-N
- 16053-71-7
MolClass #6213
ZIRSFJVDQYTAEK-UHFFFAOYSA-N
- 22056-82-2
MolClass #6214
IAHZBRPNDIVNNR-UHFFFAOYSA-N
- 540-49-8
MolClass #6215
UWTUEMKLYAGTNQ-UHFFFAOYSA-N
- 2113-57-7
MolClass #6216
USYQKCQEVBFJRP-UHFFFAOYSA-N
- 36504-66-2
MolClass #6217
GOEJUYABKOTLJA-UHFFFAOYSA-N
- 10061-01-5
MolClass #6218
UOORRWUZONOOLO-UHFFFAOYSA-N
- 64224-21-1
MolClass #6219
CKNAQFVBEHDJQV-UHFFFAOYSA-N
- 125372-28-3
MolClass #6220
VKGLRCZFZSPDBU-UHFFFAOYSA-N
- NOCAS_M394
MolClass #6221
CFOIYOQEQJFMGC-UHFFFAOYSA-N
- 134998-72-4
MolClass #6222
XLMWFRRVVDGMRV-UHFFFAOYSA-N
- 109-64-8
MolClass #6223
VEFLKXRACNJHOV-UHFFFAOYSA-N
- 78-94-4
MolClass #6224
FUSUHKVFWTUUBE-UHFFFAOYSA-N
- 591-12-8
MolClass #6225
QOTQFLOTGBBMEX-UHFFFAOYSA-N
- 79-14-1
MolClass #6226
AEMRFAOFKBGASW-UHFFFAOYSA-N
- 2429-71-2
MolClass #6227
HHIMHPSTBORQAB-UHFFFAOYSA-N
- 505-22-6
MolClass #6228
VDFVNEFVBPFDSB-UHFFFAOYSA-N
- 123-32-0
MolClass #6229
LCZUOKDVTBMCMX-UHFFFAOYSA-N
- 947-72-8
MolClass #6230
CJWHZQNUDAJJSB-UHFFFAOYSA-N
- NOCAS_M56
MolClass #6231
JMHJDDCGYRIRMY-UHFFFAOYSA-N
- 104-46-1
MolClass #6232
RUVINXPYWBROJD-UHFFFAOYSA-N
- 102408-27-5
MolClass #6233
UWIKYLLSLVQQIG-UHFFFAOYSA-N
- 192-97-2
MolClass #6234
TXVHTIQJNYSSKO-UHFFFAOYSA-N
- 13171-00-1
MolClass #6235
IKTHMQYJOWTSJO-UHFFFAOYSA-N
- 29590-42-9
MolClass #6236
DXPPIEDUBFUSEZ-UHFFFAOYSA-N
- 2531-84-2
MolClass #6237
KANLOADZXMMCQA-UHFFFAOYSA-N
- 143343-83-3
MolClass #6238
BYKYPZBCMBEEGU-UHFFFAOYSA-N
- 9002-86-2
MolClass #6239
AAMDSWDSALPAAU-UHFFFAOYSA-N
- 64507-38-6
MolClass #6240
IPABRQMUPPNSMO-UHFFFAOYSA-N
- 18774-09-9
MolClass #6241
HSOVYQBHMNRGKG-UHFFFAOYSA-N
- 2213-63-0
MolClass #6242
SPSSDDOTEZKOOV-UHFFFAOYSA-N
- 64920-33-8
MolClass #6243
KPTYXJLOWLVCMU-UHFFFAOYSA-N
- 2400-17-1
MolClass #6244
ARUJVDNZYGIUGB-UHFFFAOYSA-N
- 121808-62-6
MolClass #6245
UUTKICFRNVKFRG-UHFFFAOYSA-N
- 83053-58-1
MolClass #6246
YBHHRFHMKJGDDD-UHFFFAOYSA-N
- 145438-96-6
MolClass #6247
YVJMGYAIELXOQU-UHFFFAOYSA-N
- 33419-42-0
MolClass #6248
VJJPUSNTGOMMGY-UHFFFAOYSA-N
- 499-12-7
MolClass #6249
GTZCVFVGUGFEME-UHFFFAOYSA-N
- 130536-40-2
MolClass #6250
GFWXLEUSCRYCJU-UHFFFAOYSA-N
- 95840-05-4
MolClass #6251
JKZWMSHRWLYMOD-UHFFFAOYSA-N
- 10373-78-1
MolClass #6252
VNQXSTWCDUXYEZ-UHFFFAOYSA-N
- 135086-93-0
MolClass #6253
ISAKFWWUWWTKFX-UHFFFAOYSA-N
- 147151-61-9
MolClass #6254
MJJQETZDTOSLSA-UHFFFAOYSA-N
- 513-88-2
MolClass #6255
CSVFWMMPUJDVKH-UHFFFAOYSA-N
- NOCAS_M35
MolClass #6256
MNIGYIKCFSPQRJ-UHFFFAOYSA-N
- 80789-74-8
MolClass #6257
UBHYCFBVIXOJJO-UHFFFAOYSA-N
- 112022-05-6
MolClass #6258
LXGUWGAZTOPWGR-UHFFFAOYSA-N
- 112309-61-2
MolClass #6259
NXYVXACYNRXBAI-UHFFFAOYSA-N
- 244-63-3
MolClass #6260
- NOCAS_M270
MolClass #6261
XUJNEKJLAYXESH-UHFFFAOYSA-N
- NOCAS_M157
MolClass #6262
QTQWMSOQOSJFBV-UHFFFAOYSA-N
- 80-54-6
MolClass #6263
NKZPGPZCKPODMT-UHFFFAOYSA-N
- 120388-69-4
MolClass #6264
IRIRZXBJGMURSX-UHFFFAOYSA-N
- 5443-49-2
MolClass #6265
WQRWNOKNRHCLHV-UHFFFAOYSA-N
- 627-93-0
MolClass #6266
UDSFAEKRVUSQDD-UHFFFAOYSA-N
- 61996-71-2
MolClass #6267
UDBRORAOPVVTME-UHFFFAOYSA-N
- 2465-27-2
MolClass #6268
JPIYZTWMUGTEHX-UHFFFAOYSA-N
- 65945-06-4
MolClass #6269
RSBSTIBFPNNSTH-UHFFFAOYSA-N
- 279242-17-0
MolClass #6270
RFJIAAZMIODMAF-UHFFFAOYSA-N
- 77094-11-2
MolClass #6271
GMGWMIJIGUYNAY-UHFFFAOYSA-N
- 3764-01-0
MolClass #6272
DPVIABCMTHHTGB-UHFFFAOYSA-N
- 71382-44-0
MolClass #6273
GGVKUQCQYUOKBM-UHFFFAOYSA-N
- NOCAS_M159
MolClass #6274
GXBYFVGCMPJVJX-UHFFFAOYSA-N
- 1212-29-9
MolClass #6275
KAJICSGLHKRDLN-UHFFFAOYSA-N
- 98-37-3
MolClass #6276
ULUIMLJNTCECJU-UHFFFAOYSA-N
- 2082-79-3
MolClass #6277
SSDSCDGVMJFTEQ-UHFFFAOYSA-N
- 35001-52-6
MolClass #6278
ZBNMOUGFCKAGGQ-UHFFFAOYSA-N
- 75-17-2
MolClass #6279
SQDFHQJTAWCFIB-UHFFFAOYSA-N
- 95186-19-9
MolClass #6280
JOCHIKNGJVVXBL-UHFFFAOYSA-N
- 37853-59-1
MolClass #6281
YATIGPZCMOYEGE-UHFFFAOYSA-N
- 142534-71-2
MolClass #6282
FCZHUROLVAKWCN-UHFFFAOYSA-N
- 67410-22-4
MolClass #6283
ADDJIAQBVKRVFQ-UHFFFAOYSA-N
- 31555-54-1
MolClass #6284
LJFHCOCOSGVUAD-UHFFFAOYSA-N
- 6730-83-2
MolClass #6285
NIKHGUQULKYIGE-UHFFFAOYSA-N
- 141691-42-1
MolClass #6286
CNGVAAVGGINQTB-UHFFFAOYSA-N
- 1689-84-5
MolClass #6287
UPMXNNIRAGDFEH-UHFFFAOYSA-N
- 921-14-2
MolClass #6288
CDLZUDXUPFCTRJ-UHFFFAOYSA-N
- 119914-60-2
MolClass #6289
AIJTTZAVMXIJGM-UHFFFAOYSA-N
- 674-82-8
MolClass #6290
WASQWSOJHCZDFK-UHFFFAOYSA-N
- 172374-58-2
MolClass #6291
JZMAOFGLDVHLEO-UHFFFAOYSA-N
- NOCAS_M452
MolClass #6292
DVFGEIYOLIFSRX-UHFFFAOYSA-N
- 145439-03-8
MolClass #6293
PVKHZNDLTCEMLZ-UHFFFAOYSA-N
- 119-90-4
MolClass #6294
JRBJSXQPQWSCCF-UHFFFAOYSA-N
- 5862-77-1
MolClass #6295
NQHVJMJEWQQXBS-UHFFFAOYSA-N
- 106428-28-8
MolClass #6296
KZDTWBJGGIIKEG-UHFFFAOYSA-N
- 157730-36-4
MolClass #6297
VGEUYICPYBCMIE-UHFFFAOYSA-N
- 581-50-0
MolClass #6298
VEKIYFGCEAJDDT-UHFFFAOYSA-N
- 88133-11-3
MolClass #6299
OZSPQIXKOVJJGE-UHFFFAOYSA-N
- 98736-51-7
MolClass #6300
ZXALOXRONNZMDS-UHFFFAOYSA-N