smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#CC1=CCN(CC(=O)[O-])CC1 821320007 955498739 /nfs/dbraw/zinc/49/87/39/955498739.db2.gz FVBHLQHTSSOHNH-UHFFFAOYSA-N -1 3 166.180 0.227 20 50 ACGDHM N#CC1=CCN(CCC(=O)[O-])CC1 1611291389 970978800 /nfs/dbraw/zinc/97/88/00/970978800.db2.gz UAPCFVMGHGPFMX-UHFFFAOYSA-N -1 3 180.207 0.617 20 50 ACGDHM