smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C(=O)N(c2ccccc2)C2CCN(Cc3ccc(N(C)C)cc3)CC2)cc1 ZINC000034682545 555816817 /nfs/dbraw/zinc/81/68/17/555816817.db2.gz BGUYGEBLTCMUGH-UHFFFAOYSA-N 0 3 427.592 5.372 10 10 IKCEHN CCCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc32)cc1 ZINC000026662390 563035022 /nfs/dbraw/zinc/03/50/22/563035022.db2.gz PGPNVVHFHOGGFM-UHFFFAOYSA-N 0 3 433.577 6.454 10 10 IKCEHN