Molecule directory
Explore structures, source datasets and saved model predictions for molecules registered in MolClass.
Search by molecule name, identifier or structure →- LOPAC 00523
MolClass #801
DHMLNZRDVQLQBB-UHFFFAOYSA-N
- LOPAC 00293
MolClass #802
XXPANQJNYNUNES-UHFFFAOYSA-N
- LOPAC 00525
MolClass #803
SJDOMIRMMUGQQK-UHFFFAOYSA-N
- LOPAC 01089
MolClass #804
HCZKYJDFEPMADG-UHFFFAOYSA-N
- LOPAC 00455
MolClass #805
ACFIXJIJDZMPPO-UHFFFAOYSA-J
- LOPAC 01096
MolClass #806
XWXYUMMDTVBTOU-UHFFFAOYSA-N
- LOPAC 01338
MolClass #807
NGNALWDRPKNJGR-UHFFFAOYSA-N
- LOPAC 00216
MolClass #808
PVHUJELLJLJGLN-UHFFFAOYSA-N
- LOPAC 00454
MolClass #809
AKXCFAYOTIEFOH-OVVQPSECSA-N
- LOPAC 00459
MolClass #810
GTVPOLSIJWJJNY-UHFFFAOYSA-N
- LOPAC 01111
MolClass #811
QVYRGXJJSLMXQH-UHFFFAOYSA-N
- LOPAC 00755
MolClass #812
MDESCHUXWOWHQJ-AUWJEWJLSA-N
- LOPAC 00388
MolClass #813
BZQFBWGGLXLEPQ-UHFFFAOYSA-N
- LOPAC 01125
MolClass #814
GVEAYVLWDAFXET-UHFFFAOYSA-N
- LOPAC 01132
MolClass #815
XSBSKEQEUFOSDD-UHFFFAOYSA-N
- LOPAC 00079
MolClass #816
NIJJYAXOARWZEE-UHFFFAOYSA-M
- LOPAC 00142
MolClass #817
YECBIJXISLIIDS-UHFFFAOYSA-N
- LOPAC 00217
MolClass #818
UIAGMCDKSXEBJQ-UHFFFAOYSA-N
- LOPAC 00219
MolClass #819
YLFMCMWKHSDUCT-UHFFFAOYSA-N
- LOPAC 01105
MolClass #820
QXJSBBXBKPUZAA-HJWRWDBZSA-N
- LOPAC 01333
MolClass #821
NJMYODHXAKYRHW-DVZOWYKESA-N
- LOPAC 01120
MolClass #822
RJKFOVLPORLFTN-UHFFFAOYSA-N
- LOPAC 00141
MolClass #823
AQHHHDLHHXJYJD-UHFFFAOYSA-N
- LOPAC 01126
MolClass #824
CYKYBWRSLLXBOW-UHFFFAOYSA-N
- LOPAC 01133
MolClass #825
GCZZOZBWAZHCAN-UHFFFAOYSA-N
- LOPAC 00147
MolClass #826
PWWVAXIEGOYWEE-UHFFFAOYSA-N
- LOPAC 01144
MolClass #827
QYSPLQLAKJAUJT-UHFFFAOYSA-N
- LOPAC 00132
MolClass #828
ITJNARMNRKSWTA-UHFFFAOYSA-N
- LOPAC 01102
MolClass #829
AJPSBXJNFJCCBI-DBMXBCQFSA-N
- LOPAC 00136
MolClass #830
WYWIFABBXFUGLM-UHFFFAOYSA-N
- LOPAC 01114
MolClass #831
GSDSWSVVBLHKDQ-UHFFFAOYSA-N
- LOPAC 01121
MolClass #832
HXYVTAGFYLMHSO-UHFFFAOYSA-N
- LOPAC 00609
MolClass #833
SNTQPLDRUZOSDP-UHFFFAOYSA-N
- LOPAC 01127
MolClass #834
ISWRGOKTTBVCFA-UHFFFAOYSA-N
- LOPAC 01134
MolClass #835
SYQNUQSGEWNWKV-VOTSOKGWSA-N
- LOPAC 01138
MolClass #836
FSVJFNAIGNNGKK-UHFFFAOYSA-N
- LOPAC 00013
MolClass #837
- LOPAC 00133
MolClass #838
PTGXAUBQBSGPKF-UHFFFAOYSA-N
- LOPAC 00386
MolClass #839
UQNAFPHGVPVTAL-UHFFFAOYSA-L
- LOPAC 01107
MolClass #840
SOWBFZRMHSNYGE-UHFFFAOYSA-M
- LOPAC 01115
MolClass #841
RSDOPYMFZBJHRL-UHFFFAOYSA-N
- LOPAC 01122
MolClass #842
CDRPUGZCRXZLFL-OWOJBTEDSA-N
- LOPAC 00624
MolClass #843
RYEFFICCPKWYML-UHFFFAOYSA-N
- LOPAC 01128
MolClass #844
- LOPAC 01135
MolClass #845
BSJGASKRWFKGMV-UHFFFAOYSA-L
- LOPAC 01139
MolClass #846
JWHAUXFOSRPERK-UHFFFAOYSA-N
- LOPAC 00144
MolClass #847
SONNWYBIRXJNDC-UHFFFAOYSA-N
- LOPAC 00058
MolClass #848
LZMRVYPPUVMKOI-UHFFFAOYSA-N
- LOPAC 00479
MolClass #849
MUDRLQRJCGJJTB-UHFFFAOYSA-N
- LOPAC 01108
MolClass #850
XIQVNETUBQGFHX-UHFFFAOYSA-N
- LOPAC 01116
MolClass #851
BAINIUMDFURPJM-UHFFFAOYSA-N
- LOPAC 00389
MolClass #852
XDRYMKDFEDOLFX-UHFFFAOYSA-N
- LOPAC 01124
MolClass #853
PMYJGTWUVVVOFO-UHFFFAOYSA-N
- LOPAC 01129
MolClass #854
RQHKZUBCUZVZEF-UHFFFAOYSA-N
- LOPAC 00066
MolClass #855
YJGVMLPVUAXIQN-UHFFFAOYSA-N
- LOPAC 01140
MolClass #856
DUHUCHOQIDJXAT-UHFFFAOYSA-N
- LOPAC 00814
MolClass #857
VSJKWCGYPAHWDS-UHFFFAOYSA-N
- LOPAC 00451
MolClass #858
ZHVWWEYETMPAMX-UHFFFAOYSA-N
- LOPAC 00135
MolClass #859
QHGUCRYDKWKLMG-UHFFFAOYSA-N
- LOPAC 01109
MolClass #860
IHLAQQPQKRMGSS-UHFFFAOYSA-N
- LOPAC 01117
MolClass #861
JCSGFHVFHSKIJH-UHFFFAOYSA-N
- LOPAC 01313
MolClass #862
LJDRQPOQHHOXHM-UHFFFAOYSA-N
- LOPAC 00627
MolClass #863
BYPFEZZEUUWMEJ-UHFFFAOYSA-N
- LOPAC 01130
MolClass #864
CMVLDSZYDWJTCG-MRCUWXFGSA-J
- LOPAC 01136
MolClass #865
PMXCMJLOPOFPBT-UHFFFAOYSA-N
- LOPAC 01141
MolClass #866
XULIXFLCVXWHRF-UHFFFAOYSA-N
- LOPAC 01146
MolClass #867
CWRVKFFCRWGWCS-UHFFFAOYSA-N
- LOPAC 00134
MolClass #868
HRRBJVNMSRJFHQ-UHFFFAOYSA-N
- LOPAC 01103
MolClass #869
BOWVQLFMWHZBEF-KTKRTIGZSA-N
- LOPAC 01110
MolClass #870
LPMXVESGRSUGHW-UHFFFAOYSA-N
- LOPAC 01118
MolClass #871
OFPXSFXSNFPTHF-UHFFFAOYSA-N
- LOPAC 01123
MolClass #872
KTEXNACQROZXEV-UITAMQMPSA-N
- LOPAC 00296
MolClass #873
YVUQSNJEYSNKRX-UHFFFAOYSA-N
- LOPAC 01131
MolClass #874
JNENSSREQFBZGT-UHFFFAOYSA-N
- LOPAC 01137
MolClass #875
XOMRRQXKHMYMOC-UHFFFAOYSA-O
- LOPAC 01142
MolClass #876
GMZVRMREEHBGGF-UHFFFAOYSA-N
- LOPAC 00221
MolClass #877
QCHFTSOMWOSFHM-UHFFFAOYSA-N
- LOPAC 00452
MolClass #878
ZIDQIOZJEJFMOH-UHFFFAOYSA-N
- LOPAC 01104
MolClass #879
KYGZCKSPAKDVKC-UHFFFAOYSA-N
- LOPAC 00460
MolClass #880
LZMHWZHOZLVYDL-UHFFFAOYSA-N
- LOPAC 00220
MolClass #881
CANZROMYQDHYHR-UHFFFAOYSA-N
- LOPAC 00140
MolClass #882
- LOPAC 00369
MolClass #883
FEFFSKLJNYRHQN-UHFFFAOYSA-N
- LOPAC 00582
MolClass #884
XQYZDYMELSJDRZ-UHFFFAOYSA-N
- LOPAC 00007
MolClass #885
RIRGCFBBHQEQQH-UHFFFAOYSA-N
- LOPAC 01143
MolClass #886
YMDXZJFXQJVXBF-UHFFFAOYSA-L
- LOPAC 01148
MolClass #887
ZGUGWUXLJSTTMA-UHFFFAOYSA-N
- LOPAC 00222
MolClass #888
RMHMFHUVIITRHF-UHFFFAOYSA-N
- LOPAC 01159
MolClass #889
YEUSLPIIQGZHQB-UHFFFAOYSA-N
- LOPAC 00387
MolClass #890
PTLWNCBCBZZBJI-UHFFFAOYSA-N
- LOPAC 01168
MolClass #891
OQDPVLVUJFGPGQ-UHFFFAOYSA-N
- LOPAC 01173
MolClass #892
MFDFERRIHVXMIY-UHFFFAOYSA-N
- LOPAC 00625
MolClass #893
VSGNGLJPOGUDON-UHFFFAOYSA-N
- LOPAC 00530
MolClass #894
DIJBBUIOWGGQOP-UHFFFAOYSA-M
- LOPAC 00269
MolClass #895
DNULYRGWTFLJQL-UHFFFAOYSA-N
- LOPAC 00270
MolClass #896
XEXUKNQDDPKEIF-UHFFFAOYSA-N
- LOPAC 01149
MolClass #897
RMUCZJUITONUFY-UHFFFAOYSA-N
- LOPAC 01154
MolClass #898
KIDHWZJUCRJVML-UHFFFAOYSA-N
- LOPAC 01160
MolClass #899
ZZDQDWUZYJIYIF-UJJXFSCMSA-N
- LOPAC 00146
MolClass #900
BWPIARFWQZKAIA-UHFFFAOYSA-N