smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCSS[C@H](CC)SCC 15204733 WWQMZZWQEKRNPT-SSDOTTSWSA-N 196.406 3.877 50 1 AHGF endogenous,in-man C/C(C#N)=C\c1ccc(C)cc1Cl 1857553942 JAURGPIILHRUCZ-WEVVVXLNSA-N 191.661 3.575 50 1 AHGF CCCSS[C@H](CC)SC 14593750 RBSQCQCFXKACSX-SSDOTTSWSA-N 196.406 3.877 50 1 AHGF endogenous,in-man CCSS[C@@H](CC)SCC 15204732 WWQMZZWQEKRNPT-ZETCQYMHSA-N 196.406 3.877 50 1 AHGF endogenous,in-man C/C(C#N)=C/c1ccc(C)cc1Cl 1857617779 JAURGPIILHRUCZ-UITAMQMPSA-N 191.661 3.575 50 1 AHGF CC=CSSCCCC 2356800885 RFCWNKCKDLBCLT-UHFFFAOYSA-N 162.323 3.702 50 1 AHGF C/C=C/SS[C@@H](C)CC 14593076 IOVUOUZQSDBAQN-KNIZRNDPSA-N 162.323 3.700 50 1 AHGF endogenous,in-man CCCSS[C@@H](CC)SC 14593749 RBSQCQCFXKACSX-ZETCQYMHSA-N 196.406 3.877 50 1 AHGF endogenous,in-man C/C=C/SS[C@H](C)CC 14593075 IOVUOUZQSDBAQN-PTYLAXBQSA-N 162.323 3.700 50 1 AHGF endogenous,in-man CCCCCC=CCCC=CC=O 2356465485 VPEGROOEBNSCCL-UHFFFAOYSA-N 180.291 3.658 50 1 AHGF C/C=C\SS[C@H](C)CC 35975628 IOVUOUZQSDBAQN-FXXDRWHHSA-N 162.323 3.700 50 1 AHGF CC(=CC#N)c1ccc(C)cc1Cl 1857592321 QIBPVNPRJKCOFP-UHFFFAOYSA-N 191.661 3.575 50 1 AHGF C1=CSSC=CSS1 5924543 PGXAKLXGJRBXPM-UHFFFAOYSA-N 180.344 3.705 50 1 AHGF CC=CSS[C@H](C)CC 2356434197 IOVUOUZQSDBAQN-SSDOTTSWSA-N 162.323 3.700 50 1 AHGF CCCCCC=CCC=CC=CC=O 2356428891 BIXIZZVISIZZDM-UHFFFAOYSA-N 192.302 3.824 50 1 AHGF CCC/C=C/C/C=C/C=C/C=C/C#N 73277665 YSWIUZAZWHXNBC-YLEPRARLSA-N 187.286 3.925 50 1 AHGF C=CCSSCc1ccccc1 218456792 RWTMRXCIDWVLPG-UHFFFAOYSA-N 196.340 3.754 50 1 AHGF CC=CSS[C@@H](C)CC 2356434198 IOVUOUZQSDBAQN-ZETCQYMHSA-N 162.323 3.700 50 1 AHGF C=CCCSSCCC=C 142084281 YNGAZVITLVHOBL-UHFFFAOYSA-N 174.334 3.520 50 1 AHGF CC(C)C[C@@H]1SS[C@H](C)S1 13437604 STOXNZDISPTNSN-RQJHMYQMSA-N 194.390 3.833 50 1 AHGF CCCCSSC(C)C 13380442 HODYAASMHKKQBS-UHFFFAOYSA-N 164.339 3.576 50 1 AHGF endogenous,in-man C/C=C/CSSC/C=C/C 2168395 GULJDEUVIOGSJR-GGWOSOGESA-N 174.334 3.520 50 1 AHGF