smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)=CCC/C(C)=C/Cc1c(O)cc(O)c2c(=O)c3cccc(O)c3oc12 ZINC000040934339 209195957 /nfs/dbraw/zinc/19/59/57/209195957.db2.gz PCKHKINJZFNYEO-GXDHUFHOSA-N 0 2 380.440 5.298 10 5 GKBELN CC(C)=CCC/C(C)=C/Cc1c(=O)cc(O)c2c(O)c3cccc(O)c3oc1-2 ZINC000040934339 209195965 /nfs/dbraw/zinc/19/59/65/209195965.db2.gz PCKHKINJZFNYEO-GXDHUFHOSA-N 0 2 380.440 5.298 10 5 GKBELN