smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [N-]=[N+]=NC=C([O-])c1cccc(Cl)c1 107339304 351719132 /nfs/dbraw/zinc/71/91/32/351719132.db2.gz CQCTZLPAKILRDP-UHFFFAOYSA-N -1 3 195.609 2.833 40 10 AFCBHM