smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCNc1ccc(N=Nc2ccccc2)cc1 256313024 OCWXDBMTBDGKKE-UHFFFAOYSA-N 225.295 4.534 10 1 BJCF Oc1ccc(/N=N\c2ccc3ccccc3c2)cc1 102466771 SDOPORHPKVAKOO-ZCXUNETKSA-N 248.285 4.961 10 1 BJCF Cc1ccc(/N=N\c2cc(C)ccc2O)c(C)c1 13122051 MIDDVGLBLRDZOA-MSUUIHNZSA-N 240.306 4.733 10 1 BJCF COc1cccc(/N=N/c2ccc(Cl)cc2)c1 306120888 YEZNOJZRVZBTPM-FOCLMDBBSA-N 246.697 4.764 10 1 BJCF CCOc1ccccc1/N=N/c1ccccc1 196323655 ZPJOGQRHLRPOCN-FOCLMDBBSA-N 226.279 4.501 10 1 BJCF COc1ccccc1N=Nc1ccccc1Cl 2356550398 NOOUEIRDSRZXNT-UHFFFAOYSA-N 246.697 4.764 10 1 BJCF CC(C)c1ccc(/N=N/c2ccc(O)cc2)cc1 95921003 NQJVTPMZGHHWGR-WUKNDPDISA-N 240.306 4.931 10 1 BJCF in-vitro CC(=O)c1ccc(/N=N\c2ccc(C)cc2)cc1 102699595 ZLQQSJMVUAEPBI-MSUUIHNZSA-N 238.290 4.613 10 1 BJCF COc1ccc(N=Nc2ccc(Cl)cc2)cc1 2356410649 QMQOBXQDTKWUBW-UHFFFAOYSA-N 246.697 4.764 10 1 BJCF