smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc2[nH+]c3ccccc3c(C)c12 ZINC000019801429 179231873 /nfs/dbraw/zinc/23/18/73/179231873.db2.gz KHZRAJGEYAQVDZ-UHFFFAOYSA-N 1 1 207.276 4.005 10 5 BIBEMO