smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CS/C(=C/c1ccc2ccccc2[n+]1C)N1CC[NH+](C)CC1 ZINC000035363115 425844184 /nfs/dbraw/zinc/84/41/84/425844184.db2.gz AVFFJGLATBMXCP-UHFFFAOYSA-N 2 1 314.478 2.573 40 10 DFCBMP