smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=Cc1ccc(O)c(C[NH+]2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)c1O ZINC000014980186 210137766 /nfs/dbraw/zinc/13/77/66/210137766.db2.gz IGMXJWGYCYRLJZ-UHFFFAOYSA-N 2 2 397.862 3.434 1 10 GGCFLP