smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCc1cscc1[O-] ZINC000238232768 572412146 /nfs/dbraw/zinc/41/21/46/572412146.db2.gz LCPFQVUGGXPCJC-UHFFFAOYSA-N -1 3 184.304 3.577 10 10 AHCEHM