smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [S-]c1c2ccccc2cc2c3ccccc3ccc12 ZINC000005935218 170158010 /nfs/dbraw/zinc/15/80/10/170158010.db2.gz BYDZSGUMFLJKLZ-UHFFFAOYSA-N -1 0 260.361 5.435 10 5 CKBERM