smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc([N+](=O)[O-])ccc1-n1cc[nH+]c1 ZINC000115093873 348951462 /nfs/dbraw/zinc/95/14/62/348951462.db2.gz RCHPLYXDHICZAF-UHFFFAOYSA-N 1 2 219.200 1.789 30 5 BDBCLO