smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCN[C@@H](C)c1ccco1 ZINC000020143597 583377519 /nfs/dbraw/zinc/37/75/19/583377519.db2.gz CGBBPXCHUSDXCQ-NSHDSACASA-N 0 3 195.306 3.511 20 0 AHADHN CCCCCCN[C@H](C)c1ccco1 ZINC000020143600 583377949 /nfs/dbraw/zinc/37/79/49/583377949.db2.gz CGBBPXCHUSDXCQ-LLVKDONJSA-N 0 3 195.306 3.511 20 0 AHADHN c1cc2cncc(C3=CCCCC3)c2[nH]1 ZINC001241717138 764986251 /nfs/dbraw/zinc/98/62/51/764986251.db2.gz OJWKGQRTWNFZNH-UHFFFAOYSA-N 0 3 198.269 3.520 20 0 AHADHN