smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(NN=C2C=C(C)C=CC2=O)c(C)c1 ZINC000013122051 178361483 /nfs/dbraw/zinc/36/14/83/178361483.db2.gz MIDDVGLBLRDZOA-MSUUIHNZSA-N 0 0 240.306 4.733 1 10 BJCFRN O=C1C=CC(=NNc2ccc3ccccc3c2)C=C1 ZINC000102466771 183267406 /nfs/dbraw/zinc/26/74/06/183267406.db2.gz SDOPORHPKVAKOO-ZCXUNETKSA-N 0 0 248.285 4.961 1 10 BJCFRN CC1(C)C=C(/N=N/c2ccccc2)C=CC1 ZINC000201503835 368404533 /nfs/dbraw/zinc/40/45/33/368404533.db2.gz UMLRYFVBISPUFQ-FOCLMDBBSA-N 0 0 212.296 4.640 2 10 BJCFRN