smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NN=c1c(=O)c2cccc3cccc1c23)c1cccc([O-])c1 ZINC000005166877 181212665 /nfs/dbraw/zinc/21/26/65/181212665.db2.gz PVGVBMADBWZECV-MRCUWXFGSA-N -1 3 316.316 4.535 1 10 DJCFHM