smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1ccc2c(c1)c1cccc3c[nH+]c2n31 584596784 346719558 /nfs/dbraw/zinc/71/95/58/346719558.db2.gz BWVMXUQZORFLLO-UHFFFAOYSA-N 1 2 192.221 3.079 10 5 AGBELO