smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-]c1ccc(Cl)c2c3ccccc3sc21 ZINC000000480808 183272517 /nfs/dbraw/zinc/27/25/17/183272517.db2.gz XDSVEJKOIRFIGF-UHFFFAOYSA-N -1 1 234.707 4.414 50 0 BIAAMM CCCC(=O)c1ccc([O-])c(-c2ccccc2)c1 ZINC000129735011 591391895 /nfs/dbraw/zinc/39/18/95/591391895.db2.gz UJXDQDAKSZATBI-UHFFFAOYSA-N -1 1 240.302 4.042 50 0 BIAAMM